1376.2586 0.0302 -7.9276 3 102.6321183 89503 303301416 301417 a-Alanine, conf. II
1376.4391 0.0132 -7.9611 3 30.4358 99 89503 30316 8 8 16 8 9 a-Alanine, conf. II
1454.0534 0.0186 -7.8760 3 61.2114141 89503 303231112 231113 a-Alanine, conf. II
1651.1965 0.1254 -7.8109 3 138.4469213 89503 303351619 351620 a-Alanine, conf. II
1746.6361 0.0125 -7.8043 3 23.4640 87 89503 30314 7 7 14 7 8 a-Alanine, conf. II
1843.7719 0.0221 -7.6887 3 89.4787171 89503 303281315 281316 a-Alanine, conf. II
1908.7968 0.3551 -7.7403 3 179.6157243 89503 303401822 401823 a-Alanine, conf. II
1908.8907 0.0237 -7.6698 3 51.1466129 89503 303211011 211012 a-Alanine, conf. II
2141.3593 0.8101 -7.7091 3 226.1315273 89503 303452025 452026 a-Alanine, conf. II
2160.7449 0.0106 -7.6815 3 17.3935 75 89503 30312 6 6 12 6 7 a-Alanine, conf. II
2221.2828 0.1003 -7.5611 3 123.1078201 89503 303331518 331519 a-Alanine, conf. II
2341.9193 1.6108 -7.7129 3 277.9865303 89503 303502228 502229 a-Alanine, conf. II
2437.7688 0.0247 -7.4677 3 77.2244159 89503 303261214 261215 a-Alanine, conf. II
2463.9885 0.0271 -7.4867 3 41.9818117 89503 30319 910 19 911 a-Alanine, conf. II
2504.5039 2.9025 -7.7487 3 335.1712333 89503 303552431 552432 a-Alanine, conf. II
2576.3183 0.3244 -7.4809 3 162.0939231 89503 303381721 381722 a-Alanine, conf. II
2586.9424 0.0080 -7.6017 3 12.2246 63 89503 30310 5 5 10 5 6 a-Alanine, conf. II
2624.4237 4.8463 -7.8145 3 397.6749363 89503 303602634 602635 a-Alanine, conf. II
2698.5485 7.6038 -7.9087 3 465.4859393 89503 303652837 652838 a-Alanine, conf. II
2899.2115 0.7949 -7.4407 3 206.4306261 89503 303431924 431925 a-Alanine, conf. II
2949.9546 0.0719 -7.3286 3 108.6665189 89503 303311417 311418 a-Alanine, conf. II
2967.4660 0.0053 -7.5772 3 7.9575 51 89503 303 8 4 4 8 4 5 a-Alanine, conf. II
3115.5045 0.0278 -7.3311 3 33.7170105 89503 30317 8 9 17 810 a-Alanine, conf. II
3172.8235 0.0348 -7.2678 3 65.8688147 89503 303241113 241114 a-Alanine, conf. II
3181.0411 1.6557 -7.4356 3 256.1103291 89503 303482127 482128 a-Alanine, conf. II
3200.8606 0.0016 -7.7864 3 2.1334 27 89503 303 4 2 2 4 2 3 a-Alanine, conf. II
3213.3219 0.0031 -7.6269 3 4.5932 39 89503 303 6 3 3 6 3 4 a-Alanine, conf. II
3413.9384 3.0870 -7.4624 3 311.1240321 89503 303532330 532331 a-Alanine, conf. II
3433.1782 0.2781 -7.2383 3 145.4686219 89503 303361620 361621 a-Alanine, conf. II
3591.4607 5.2958 -7.5190 3 371.4616351 89503 303582533 582534 a-Alanine, conf. II
3708.9674 8.5005 -7.6037 3 437.1115381 89503 303632736 632737 a-Alanine, conf. II
3756.2312 18.6888 -7.8539 3 584.2960441 89503 303733142 733143 a-Alanine, conf. II
3763.9446 12.9086 -7.7156 3 508.0610411 89503 303682939 682940 a-Alanine, conf. II
3841.4750 0.0258 -7.2081 3 26.3521 93 89503 30315 7 8 15 7 9 a-Alanine, conf. II
3858.5557 0.0472 -7.1160 3 95.1226177 89503 303291316 291317 a-Alanine, conf. II
3875.6758 0.7466 -7.1887 3 187.6247249 89503 303411823 411824 a-Alanine, conf. II
4052.5466 0.0444 -7.0924 3 55.4118135 89503 303221012 221013 a-Alanine, conf. II
4266.3319 1.6435 -7.1744 3 235.1277279 89503 303462026 462027 a-Alanine, conf. II
4507.2170 0.2193 -7.0149 3 129.7395207 89503 303341519 341520 a-Alanine, conf. II
4595.0458 3.1854 -7.1920 3 287.9689309 89503 303512229 512230 a-Alanine, conf. II
4595.3631 0.0213 -7.1236 3 19.8871 81 89503 30313 6 7 13 6 8 a-Alanine, conf. II
4853.2007 5.6311 -7.2392 3 346.1385339 89503 303562432 562433 a-Alanine, conf. II
4945.4557 40.7520 -7.8760 3 716.4814489 89503 303813447 813448 a-Alanine, conf. II
4957.3016 0.0418 -6.9261 3 82.4761165 89503 303271215 271216 a-Alanine, conf. II
5034.1603 9.2661 -7.3143 3 409.6255369 89503 303612635 612636 a-Alanine, conf. II
5062.0354 0.0497 -6.9451 3 45.8533123 89503 30320 911 20 912 a-Alanine, conf. II
5086.1909 29.9873 -7.6976 3 631.8609459 89503 303763244 763245 a-Alanine, conf. II
5105.0332 0.6648 -6.9554 3 169.7137237 89503 303391722 391723 a-Alanine, conf. II
5133.7295 14.3776 -7.4163 3 478.4175399 89503 303662838 662839 a-Alanine, conf. II
5150.5232 21.2222 -7.5442 3 552.5009429 89503 303713041 713042 a-Alanine, conf. II
5303.2204 0.0156 -7.0836 3 14.3222 69 89503 30311 5 6 11 5 7 a-Alanine, conf. II
5466.8884 0.0015 -7.6956 3 1.0843 21 89503 303 3 1 2 3 1 3 a-Alanine, conf. II
5536.1389 0.0002 -7.4653 3 0.0000 9 89503 303 1 0 1 0 0 0 a-Alanine, conf. II
5638.6013 1.5653 -6.9315 3 215.0384267 89503 303441925 441926 a-Alanine, conf. II
5814.9308 0.1544 -6.8133 3 114.9063195 89503 303321418 321419 a-Alanine, conf. II
5866.5015 0.0100 -7.0963 3 9.6579 57 89503 303 9 4 5 9 4 6 a-Alanine, conf. II
6083.5839 0.0028 -7.3467 3 3.0362 33 89503 303 5 2 3 5 2 4 a-Alanine, conf. II
6095.3354 3.1730 -6.9396 3 265.7055297 89503 303492128 492129 a-Alanine, conf. II
6161.2330 0.0495 -6.8294 3 37.1929111 89503 30318 810 18 811 a-Alanine, conf. II
6169.1487 0.0056 -7.1747 3 5.8953 45 89503 303 7 3 4 7 3 5 a-Alanine, conf. II
6237.0970 0.0559 -6.7620 3 70.7266153 89503 303251114 251115 a-Alanine, conf. II
6464.0470 5.8012 -6.9772 3 321.7056327 89503 303542331 542332 a-Alanine, conf. II
6527.1553 62.4362 -7.7527 3 769.0119507 89503 303843549 843550 a-Alanine, conf. II
6610.0849 0.5538 -6.7431 3 152.6971225 89503 303371621 371622 a-Alanine, conf. II
6735.5782 9.8101 -7.0424 3 383.0278357 89503 303592534 592535 a-Alanine, conf. II
6770.1110 46.7980 -7.5612 3 681.2822477 89503 303793346 793347 a-Alanine, conf. II
6903.4248 15.5817 -7.1341 3 449.6604387 89503 303642737 642738 a-Alanine, conf. II
6918.4663 33.8245 -7.3940 3 598.8027447 89503 303743143 743144 a-Alanine, conf. II
6964.2840 23.4841 -7.2515 3 521.5902417 89503 303692940 692941 a-Alanine, conf. II
7282.4484 0.0441 -6.7481 3 29.4307 99 89503 30316 7 9 16 710 a-Alanine, conf. II
7327.2296 1.4195 -6.7092 3 195.8422255 89503 303421824 421825 a-Alanine, conf. II
7352.5696 0.0954 -6.6358 3 100.9687183 89503 303301317 301318 a-Alanine, conf. II
7646.8275 0.0018 -7.7003 3 2.9841 33 89503 303 5 2 3 5 1 4 a-Alanine, conf. II
7662.3834 0.0705 -6.6260 3 59.8737141 89503 303231013 231014 a-Alanine, conf. II
7951.2187 3.0338 -6.7074 3 244.3336285 89503 303472027 472028 a-Alanine, conf. II
8147.4785 0.0021 -7.5196 3 4.4287 39 89503 303 6 3 3 6 2 4 a-Alanine, conf. II
8194.3214 0.0022 -7.6368 3 3.2391 33 89503 303 5 3 2 5 2 3 a-Alanine, conf. II
8334.2428 0.0352 -6.7037 3 22.5667 87 89503 30314 6 8 14 6 9 a-Alanine, conf. II
8392.4708 0.4240 -6.5540 3 136.5747213 89503 303351520 351521 a-Alanine, conf. II
8468.0040 5.7624 -6.7349 3 298.1623315 89503 303522230 522231 a-Alanine, conf. II
8482.4996 93.3421 -7.6478 3 823.3889525 89503 303873651 873652 a-Alanine, conf. II
8835.5998 0.0023 -7.3469 3 1.7472 27 89503 303 4 1 3 4 1 4 a-Alanine, conf. II
8862.1648 71.0758 -7.4442 3 732.5563495 89503 303823448 823449 a-Alanine, conf. II
8865.4177 10.0429 -6.7900 3 357.3181345 89503 303572433 572434 a-Alanine, conf. II
9088.2882 0.0654 -6.4843 3 87.9262171 89503 303281216 281217 a-Alanine, conf. II
9126.7652 52.3068 -7.2646 3 646.9629465 89503 303773245 773246 a-Alanine, conf. II
9133.9703 16.3631 -6.8712 3 421.7894375 89503 303622636 622637 a-Alanine, conf. II
9168.4437 0.0770 -6.5195 3 49.9172129 89503 30321 912 21 913 a-Alanine, conf. II
9210.6741 0.0251 -6.6990 3 16.6011 75 89503 30312 5 7 12 5 8 a-Alanine, conf. II
9258.3596 0.0035 -7.3660 3 5.7922 45 89503 303 7 3 4 7 2 5 a-Alanine, conf. II
9264.3499 37.0851 -7.1090 3 566.6265435 89503 303723042 723043 a-Alanine, conf. II
9267.6065 25.2234 -6.9777 3 491.5635405 89503 303672839 672840 a-Alanine, conf. II
9339.6630 1.2147 -6.5094 3 177.5385243 89503 303401723 401724 a-Alanine, conf. II
9712.3082 0.0041 -7.0110 3 4.1047 39 89503 303 6 2 4 6 2 5 a-Alanine, conf. II
9801.9490 0.0157 -6.7391 3 11.5345 63 89503 30310 4 6 10 4 7 a-Alanine, conf. II
10002.2469 0.0085 -6.8347 3 7.3684 51 89503 303 8 3 5 8 3 6 a-Alanine, conf. II
10080.7469 0.0014 -7.5332 3 1.0659 21 89503 303 3 2 2 3 0 3 a-Alanine, conf. II
10151.7598 0.0003 -6.7632 3 0.2429 15 89503 303 2 1 2 1 1 1 a-Alanine, conf. II
10176.6575 2.7673 -6.4972 3 223.8526273 89503 303451926 451927 a-Alanine, conf. II
10423.9676 0.2906 -6.3897 3 121.3459201 89503 303331419 331420 a-Alanine, conf. II
10466.7466 0.0033 -7.4581 3 4.0795 39 89503 303 6 2 4 6 1 5 a-Alanine, conf. II
10627.3852 0.0043 -7.1974 3 7.7020 51 89503 303 8 4 4 8 3 5 a-Alanine, conf. II
10665.4189 0.0742 -6.4432 3 40.8569117 89503 30319 811 19 812 a-Alanine, conf. II
10792.8926 0.0003 -6.5981 3 0.1847 15 89503 303 2 0 2 1 0 1 a-Alanine, conf. II
10857.9494136.2265 -7.5607 3 879.6081543 89503 303903753 903754 a-Alanine, conf. II
10886.4891 5.4912 -6.5144 3 275.5083303 89503 303502129 502130 a-Alanine, conf. II
10958.9558 0.0765 -6.3598 3 75.7785159 89503 303261115 261116 a-Alanine, conf. II
11027.4135 0.0060 -7.1055 3 9.4858 57 89503 303 9 4 5 9 3 6 a-Alanine, conf. II
11370.5886 0.0043 -7.2559 3 6.1011 45 89503 303 7 4 3 7 3 4 a-Alanine, conf. II
11412.3360105.1128 -7.3464 3 785.6791513 89503 303853550 853551 a-Alanine, conf. II
11453.6527 9.8973 -6.5589 3 332.4958333 89503 303552332 552333 a-Alanine, conf. II
11651.7083 0.9704 -6.3334 3 160.1268231 89503 303381622 381623 a-Alanine, conf. II
11669.8483 0.0064 -7.1804 3 7.3127 51 89503 303 8 3 5 8 2 6 a-Alanine, conf. II
11808.1937 0.0016 -7.2220 3 1.7396 27 89503 303 4 2 3 4 0 4 a-Alanine, conf. II
11828.7360 78.5376 -7.1555 3 696.9778483 89503 303803347 803348 a-Alanine, conf. II
11865.0753 16.5806 -6.6293 3 394.8040363 89503 303602535 602536 a-Alanine, conf. II
11992.7307 0.0005 -6.6186 3 0.2736 15 89503 303 2 1 1 1 1 0 a-Alanine, conf. II
12048.0465 0.0641 -6.3973 3 32.6927105 89503 30317 710 17 711 a-Alanine, conf. II
12090.4241 56.6742 -6.9881 3 613.5229453 89503 303753144 753145 a-Alanine, conf. II
12111.0827 26.1872 -6.7247 3 462.4205393 89503 303652738 652739 a-Alanine, conf. II
12186.3021 39.3614 -6.8445 3 535.3318423 89503 303702941 702942 a-Alanine, conf. II
12498.4858 0.0029 -7.0650 3 2.5672 33 89503 303 5 1 4 5 1 5 a-Alanine, conf. II
12642.5871 0.1730 -6.2506 3 107.0102189 89503 303311318 311319 a-Alanine, conf. II
12693.8652 0.0046 -7.3145 3 4.7004 39 89503 303 6 4 2 6 3 3 a-Alanine, conf. II
12752.3076 2.3932 -6.3102 3 204.2620261 89503 303431825 431826 a-Alanine, conf. II
12852.7514 0.0108 -6.9698 3 11.4328 63 89503 30310 4 6 10 3 7 a-Alanine, conf. II
12874.0000 0.0949 -6.2620 3 64.5252147 89503 303241014 241015 a-Alanine, conf. II
12970.9948 0.0022 -7.4313 3 3.0362 33 89503 303 5 3 3 5 2 4 a-Alanine, conf. II
13089.0538 0.0093 -6.8854 3 14.0625 69 89503 30311 5 6 11 4 7 a-Alanine, conf. II
13207.2976 0.0499 -6.3823 3 25.4248 93 89503 30315 6 9 15 610 a-Alanine, conf. II
13471.4290 0.0077 -6.9320 3 11.8615 63 89503 30310 5 5 10 4 6 a-Alanine, conf. II
13693.8963194.1665 -7.4913 3 937.6649561 89503 303933855 933856 a-Alanine, conf. II
13706.1870 4.9973 -6.3167 3 253.7430291 89503 303482028 482029 a-Alanine, conf. II
13738.5727 0.0051 -6.7363 3 5.3340 45 89503 303 7 2 5 7 2 6 a-Alanine, conf. II
13937.4098 0.0050 -7.4181 3 3.5125 33 89503 303 5 4 1 5 3 2 a-Alanine, conf. II
14040.0148 0.0348 -6.3999 3 19.0537 81 89503 30313 5 8 13 5 9 a-Alanine, conf. II
14059.1819 0.0046 -7.2343 3 5.3233 45 89503 303 7 2 5 7 1 6 a-Alanine, conf. II
14146.4489 0.0023 -6.9941 3 2.5643 33 89503 303 5 2 4 5 0 5 a-Alanine, conf. II
14176.5864 0.0154 -6.7947 3 16.4354 75 89503 30312 5 7 12 4 8 a-Alanine, conf. II
14202.6950 0.7139 -6.1817 3 143.6067219 89503 303361521 361522 a-Alanine, conf. II
14374.9040 0.0113 -6.5588 3 9.0063 57 89503 303 9 3 6 9 3 7 a-Alanine, conf. II
14454.8366 0.0215 -6.4551 3 13.5803 69 89503 30311 4 7 11 4 8 a-Alanine, conf. II
14462.4250151.4491 -7.2672 3 840.6463531 89503 303883652 883653 a-Alanine, conf. II
14494.4933 9.3522 -6.3504 3 308.5604321 89503 303532231 532232 a-Alanine, conf. II
14523.2736 0.0005 -7.4460 3 0.5815 21 89503 303 3 0 3 2 1 2 a-Alanine, conf. II
14534.2384 0.0028 -7.0677 3 2.9841 33 89503 303 5 3 3 5 1 4 a-Alanine, conf. II
14575.8650 0.0032 -7.4262 3 2.0419 27 89503 303 4 3 2 4 1 3 a-Alanine, conf. II
14646.4648 0.0025 -7.2662 3 4.1047 39 89503 303 6 3 4 6 2 5 a-Alanine, conf. II
14725.3333 0.1019 -6.1901 3 54.1660135 89503 30322 913 22 914 a-Alanine, conf. II
14865.3201 0.0076 -6.9538 3 9.8536 57 89503 303 9 5 4 9 4 5 a-Alanine, conf. II
14956.0578 0.0975 -6.1363 3 93.5672177 89503 303291217 291218 a-Alanine, conf. II
15067.2327114.5799 -7.0662 3 748.8434501 89503 303833449 833450 a-Alanine, conf. II
15073.0034 0.0005 -6.1742 3 0.5815 21 89503 303 3 1 3 2 1 2 a-Alanine, conf. II
15100.2282 16.1507 -6.4098 3 368.7036351 89503 303582434 582435 a-Alanine, conf. II
15163.9872 0.0098 -6.9878 3 8.9800 57 89503 303 9 3 6 9 2 7 a-Alanine, conf. II
15164.4214 0.0050 -7.3639 3 3.4689 33 89503 303 5 4 2 5 3 3 a-Alanine, conf. II
15400.9032 0.0026 -6.8108 3 4.0795 39 89503 303 6 3 4 6 1 5 a-Alanine, conf. II
15486.1788 83.9019 -6.8883 3 662.2758471 89503 303783246 783247 a-Alanine, conf. II
15509.4010 26.1832 -6.4940 3 434.1605381 89503 303632637 632638 a-Alanine, conf. II
15535.2553 0.0047 -7.1971 3 4.5932 39 89503 303 6 4 3 6 3 4 a-Alanine, conf. II
15539.9996 0.0141 -6.6907 3 19.5220 81 89503 30313 6 7 13 5 8 a-Alanine, conf. II
15619.4936 1.9501 -6.1469 3 185.5611249 89503 303411724 411725 a-Alanine, conf. II
15626.8789 0.0005 -6.1135 3 0.5447 21 89503 303 3 0 3 2 0 2 a-Alanine, conf. II
15703.9251 59.2964 -6.7335 3 580.9616441 89503 303733043 733044 a-Alanine, conf. II
15712.1722 40.2914 -6.6020 3 504.9180411 89503 303682840 682841 a-Alanine, conf. II
15780.0482 0.0195 -6.6393 3 22.3183 87 89503 30314 6 8 14 5 9 a-Alanine, conf. II
16038.0585 0.0173 -6.8079 3 13.5275 69 89503 30311 4 7 11 3 8 a-Alanine, conf. II
16101.1218 0.0036 -6.8425 3 3.5425 39 89503 303 6 1 5 6 1 6 a-Alanine, conf. II
16176.6087 0.0007 -7.2864 3 0.5447 21 89503 303 3 1 3 2 0 2 a-Alanine, conf. II
16335.0527 0.0049 -7.0640 3 5.8953 45 89503 303 7 4 4 7 3 5 a-Alanine, conf. II
16399.5409 0.0963 -6.1431 3 44.7009123 89503 30320 812 20 813 a-Alanine, conf. II
16565.3115 0.0079 -6.9792 3 8.0565 51 89503 303 8 5 3 8 4 4 a-Alanine, conf. II
16608.3273 0.0005 -6.2914 3 0.8482 21 89503 303 3 2 2 2 2 1 a-Alanine, conf. II
16708.2697 0.0135 -6.7045 3 16.9083 75 89503 30312 6 6 12 5 7 a-Alanine, conf. II
16827.7836 0.0031 -7.1174 3 5.3340 45 89503 303 7 3 5 7 2 6 a-Alanine, conf. II
16837.9182 0.0256 -6.6649 3 18.9604 81 89503 30313 5 8 13 4 9 a-Alanine, conf. II
16871.5567 4.3263 -6.1421 3 232.8657279 89503 303461927 461928 a-Alanine, conf. II
16884.8562 0.0033 -6.8108 3 3.5415 39 89503 303 6 2 5 6 0 6 a-Alanine, conf. II
16898.4008 0.4738 -6.0535 3 127.9775207 89503 303341420 341421 a-Alanine, conf. II
17148.3928 0.0030 -6.6132 3 5.3233 45 89503 303 7 3 5 7 1 6 a-Alanine, conf. II
17251.8576 0.0906 -6.0454 3 81.0165165 89503 303271116 271117 a-Alanine, conf. II
17589.6544 0.0009 -6.2365 3 0.8575 21 89503 303 3 2 1 2 2 0 a-Alanine, conf. II
17662.1661 0.0058 -6.9429 3 7.3684 51 89503 303 8 4 5 8 3 6 a-Alanine, conf. II
17723.7850 0.0326 -6.5433 3 25.2741 93 89503 30315 6 9 15 510 a-Alanine, conf. II
17750.8953 0.0054 -6.5126 3 6.7206 51 89503 303 8 2 6 8 2 7 a-Alanine, conf. II
17774.7498 0.0246 -6.4955 3 29.0807 99 89503 30316 7 9 16 610 a-Alanine, conf. II
17778.4261 0.0007 -6.0338 3 0.6736 21 89503 303 3 1 2 2 1 1 a-Alanine, conf. II
17788.4075 0.0815 -6.1206 3 36.1300111 89503 30318 711 18 712 a-Alanine, conf. II
17875.8369 0.0052 -7.0412 3 6.7165 51 89503 303 8 2 6 8 1 7 a-Alanine, conf. II
17937.1242 8.4481 -6.1648 3 285.5112309 89503 303512130 512131 a-Alanine, conf. II
17945.3412 0.0089 -7.0381 3 6.4804 45 89503 303 7 5 2 7 4 3 a-Alanine, conf. II
18042.2752212.7358 -7.2061 3 897.4536549 89503 303913754 913755 a-Alanine, conf. II
18433.7613 0.0225 -6.5145 3 25.8653 93 89503 30315 7 8 15 6 9 a-Alanine, conf. II
18637.6793 0.0131 -6.7032 3 14.4991 69 89503 30311 6 5 11 5 6 a-Alanine, conf. II
18682.3333 1.4870 -6.0063 3 167.7495237 89503 303391623 391624 a-Alanine, conf. II
18782.6559 0.0102 -7.1630 3 5.1239 39 89503 303 6 5 1 6 4 2 a-Alanine, conf. II
18795.3703 15.0822 -6.2132 3 343.4874339 89503 303562333 562334 a-Alanine, conf. II
18796.0866 0.0622 -6.1234 3 28.4538 99 89503 30316 610 16 611 a-Alanine, conf. II
18844.7260 0.0131 -6.3303 3 10.8042 63 89503 30310 3 7 10 3 8 a-Alanine, conf. II
18846.3987 0.0371 -6.4333 3 32.4659105 89503 30317 710 17 611 a-Alanine, conf. II
18870.3214162.5665 -6.9961 3 802.5556519 89503 303863551 863552 a-Alanine, conf. II
19066.4217 0.0094 -6.9955 3 6.4402 45 89503 303 7 5 3 7 4 4 a-Alanine, conf. II
19139.9490 0.0103 -7.1492 3 5.1114 39 89503 303 6 5 2 6 4 3 a-Alanine, conf. II
19183.1459 0.0122 -6.8082 3 10.7929 63 89503 30310 3 7 10 2 8 a-Alanine, conf. II
19197.7086 0.0090 -6.8833 3 7.9575 51 89503 303 8 5 4 8 4 5 a-Alanine, conf. II
19329.7675 0.0060 -6.5514 3 7.3127 51 89503 303 8 4 5 8 2 6 a-Alanine, conf. II
19343.5385 0.0427 -6.1543 3 21.6731 87 89503 30314 5 9 14 510 a-Alanine, conf. II
19371.7711 0.0258 -6.2193 3 15.7892 75 89503 30312 4 8 12 4 9 a-Alanine, conf. II
19409.9440 0.1104 -5.9764 3 69.3578153 89503 303251015 251016 a-Alanine, conf. II
19418.4967 0.0037 -6.9815 3 6.7206 51 89503 303 8 3 6 8 2 7 a-Alanine, conf. II
19424.2636 0.0059 -6.7729 3 5.7922 45 89503 303 7 4 4 7 2 5 a-Alanine, conf. II
19427.6961 25.1441 -6.2859 3 406.7827369 89503 303612536 612537 a-Alanine, conf. II
19477.6204120.4668 -6.8087 3 712.8812489 89503 303813348 813349 a-Alanine, conf. II
19518.7210 0.0048 -6.6690 3 4.6722 45 89503 303 7 1 6 7 1 7 a-Alanine, conf. II
19528.3896 0.0048 -7.2570 3 4.6719 45 89503 303 7 1 6 7 0 7 a-Alanine, conf. II
19535.8159 0.0071 -6.8268 3 9.0063 57 89503 303 9 4 6 9 3 7 a-Alanine, conf. II
19543.4383 0.0036 -6.4498 3 6.7165 51 89503 303 8 3 6 8 1 7 a-Alanine, conf. II
19621.1191 0.2752 -5.9473 3 113.2387195 89503 303321319 321320 a-Alanine, conf. II
19644.8686 0.0006 -6.9843 3 1.0843 27 89503 303 4 0 4 3 1 3 a-Alanine, conf. II
19693.6678 0.0096 -6.7874 3 9.6579 57 89503 303 9 5 5 9 4 6 a-Alanine, conf. II
19819.0558 39.6644 -6.3823 3 475.3844399 89503 303662739 662740 a-Alanine, conf. II
19839.3302 0.0047 -7.2448 3 4.6722 45 89503 303 7 2 6 7 1 7 a-Alanine, conf. II
19844.3896 86.3698 -6.6439 3 628.4495459 89503 303763145 763146 a-Alanine, conf. II
19848.9988 0.0047 -6.6569 3 4.6719 45 89503 303 7 2 6 7 0 7 a-Alanine, conf. II
19873.2715 0.0007 -5.7900 3 1.0843 27 89503 303 4 1 4 3 1 3 a-Alanine, conf. II
19959.2886 59.7260 -6.5017 3 549.2784429 89503 303712942 712943 a-Alanine, conf. II
20109.8944 0.0230 -6.6430 3 15.7646 75 89503 30312 4 8 12 3 9 a-Alanine, conf. II
20194.5983 0.0007 -5.7691 3 1.0659 27 89503 303 4 0 4 3 0 3 a-Alanine, conf. II
20238.8704 0.0347 -6.3596 3 36.7234111 89503 30318 810 18 711 a-Alanine, conf. II
20285.8417 3.5518 -5.9900 3 212.8758267 89503 303441826 441827 a-Alanine, conf. II
20314.5492 0.0224 -6.5052 3 22.8447 87 89503 30314 7 7 14 6 8 a-Alanine, conf. II
20324.8992 0.0068 -6.3744 3 8.9800 57 89503 303 9 4 6 9 2 7 a-Alanine, conf. II
20336.6602 0.0411 -6.3288 3 40.5343117 89503 30319 811 19 712 a-Alanine, conf. II
20423.0013 0.0009 -6.9361 3 1.0659 27 89503 303 4 1 4 3 0 3 a-Alanine, conf. II
20469.4119 0.0063 -7.0539 3 4.4287 39 89503 303 6 4 3 6 2 4 a-Alanine, conf. II
20557.9674 0.0134 -6.7111 3 12.3108 63 89503 30310 6 4 10 5 5 a-Alanine, conf. II
20686.4356 0.0112 -6.6961 3 11.5345 63 89503 30310 5 6 10 4 7 a-Alanine, conf. II
20752.0242 0.0360 -6.5175 3 21.6261 87 89503 30314 5 9 14 410 a-Alanine, conf. II
21240.6597 0.0484 -6.4169 3 28.3722 99 89503 30316 610 16 511 a-Alanine, conf. II
21314.1268 0.1185 -5.9281 3 58.5912141 89503 30323 914 23 915 a-Alanine, conf. II
21502.8186 0.0054 -6.3365 3 8.2627 57 89503 303 9 2 7 9 2 8 a-Alanine, conf. II
21548.6862 0.0052 -6.8843 3 8.2612 57 89503 303 9 2 7 9 1 8 a-Alanine, conf. II
21685.2067 7.2820 -6.0015 3 263.3475297 89503 303492029 492030 a-Alanine, conf. II
21730.0812 0.0572 -6.3317 3 35.9985111 89503 30318 711 18 612 a-Alanine, conf. II
21775.5286 0.0358 -6.3532 3 33.0946105 89503 30317 8 9 17 710 a-Alanine, conf. II
21817.7219 1.0507 -5.8869 3 150.8266225 89503 303371522 371523 a-Alanine, conf. II
21842.5548 0.0012 -7.1456 3 0.6736 21 89503 303 3 2 2 2 1 1 a-Alanine, conf. II
21895.5284 0.0086 -6.7150 3 10.8042 63 89503 30310 4 7 10 3 8 a-Alanine, conf. II
21922.0452 0.0006 -5.7999 3 1.4022 27 89503 303 4 2 3 3 2 2 a-Alanine, conf. II
21973.6810 0.0152 -6.7495 3 10.3495 57 89503 303 9 6 3 9 5 4 a-Alanine, conf. II
22166.8509291.5667 -7.1625 3 956.0960567 89503 303943856 943857 a-Alanine, conf. II
22233.9483 0.0083 -6.2260 3 10.7929 63 89503 30310 4 7 10 2 8 a-Alanine, conf. II
22240.6700 0.0137 -6.6046 3 13.5803 69 89503 30311 5 7 11 4 8 a-Alanine, conf. II
22242.9891 0.1404 -5.8614 3 99.3902183 89503 303301218 301219 a-Alanine, conf. II
22291.9018 0.0042 -6.8582 3 8.2627 57 89503 303 9 3 7 9 2 8 a-Alanine, conf. II
22297.8494 0.0508 -6.2267 3 49.4793129 89503 30321 912 21 813 a-Alanine, conf. II
22337.7695 0.0042 -6.3093 3 8.2612 57 89503 303 9 3 7 9 1 8 a-Alanine, conf. II
22381.2441 0.0608 -6.2549 3 44.5014123 89503 30320 812 20 713 a-Alanine, conf. II
22574.2947 0.0010 -6.0025 3 1.7751 27 89503 303 4 3 2 3 3 1 a-Alanine, conf. II
22617.5780 0.0212 -6.4902 3 20.0404 81 89503 30313 7 6 13 6 7 a-Alanine, conf. II
22796.1987 0.0068 -6.5293 3 5.9561 51 89503 303 8 1 7 8 1 8 a-Alanine, conf. II
22799.2849 0.0068 -7.1239 3 5.9560 51 89503 303 8 1 7 8 0 8 a-Alanine, conf. II
22830.4251 0.0173 -6.8319 3 8.6091 51 89503 303 8 6 2 8 5 3 a-Alanine, conf. II
22856.4185 13.4840 -6.0387 3 319.1547327 89503 303542232 542233 a-Alanine, conf. II
22860.2521 0.1109 -5.8999 3 48.7167129 89503 30321 813 21 814 a-Alanine, conf. II
22861.3032 0.0157 -6.6368 3 12.2246 63 89503 30310 6 5 10 5 6 a-Alanine, conf. II
22887.3755 0.0012 -5.9901 3 1.7770 27 89503 303 4 3 1 3 3 0 a-Alanine, conf. II
22921.1403 0.0068 -7.1197 3 5.9561 51 89503 303 8 2 7 8 1 8 a-Alanine, conf. II
22924.2265 0.0068 -6.5251 3 5.9560 51 89503 303 8 2 7 8 0 8 a-Alanine, conf. II
22934.8450 0.0162 -6.7178 3 10.3148 57 89503 303 9 6 4 9 5 5 a-Alanine, conf. II
23043.4277 0.0136 -6.1469 3 12.7589 69 89503 30311 3 8 11 3 9 a-Alanine, conf. II
23084.9024 0.0164 -6.5654 3 14.3222 69 89503 30311 6 6 11 5 7 a-Alanine, conf. II
23149.1928 0.0176 -6.8213 3 8.5979 51 89503 303 8 6 3 8 5 4 a-Alanine, conf. II
23178.8046 0.0131 -6.6550 3 12.7544 69 89503 30311 3 8 11 2 9 a-Alanine, conf. II
23209.1443 0.0521 -6.2302 3 45.2479123 89503 30320 911 20 812 a-Alanine, conf. II
23241.9829 0.0007 -5.6650 3 1.2666 27 89503 303 4 1 3 3 1 2 a-Alanine, conf. II
23248.2119224.5531 -6.9442 3 858.1098537 89503 303893653 893654 a-Alanine, conf. II
23304.0809 0.0191 -6.9749 3 7.0789 45 89503 303 7 6 1 7 5 2 a-Alanine, conf. II
23345.8180 0.0618 -6.1817 3 53.8785135 89503 30322 913 22 814 a-Alanine, conf. II
23385.2640 0.0192 -6.9722 3 7.0762 45 89503 303 7 6 2 7 5 3 a-Alanine, conf. II
23737.2380 0.0116 -6.3621 3 11.4328 63 89503 30310 5 6 10 3 7 a-Alanine, conf. II
23758.1990 0.0186 -6.4957 3 16.6011 75 89503 30312 6 7 12 5 8 a-Alanine, conf. II
23776.5624 23.1613 -6.1002 3 380.2864357 89503 303592435 592436 a-Alanine, conf. II
23820.7739 2.7565 -5.8586 3 193.7726255 89503 303421725 421726 a-Alanine, conf. II
23823.8920 0.0129 -6.2005 3 13.5275 69 89503 30311 5 7 11 3 8 a-Alanine, conf. II
23862.2463 0.0012 -5.7146 3 1.4442 27 89503 303 4 2 2 3 2 1 a-Alanine, conf. II
23961.7783 0.0925 -5.8925 3 39.7350117 89503 30319 712 19 713 a-Alanine, conf. II
24069.9759167.9918 -6.7482 3 765.3349507 89503 303843450 843451 a-Alanine, conf. II
24089.5426 0.0277 -6.0261 3 18.1568 81 89503 30313 4 9 13 410 a-Alanine, conf. II
24226.3562 0.0346 -6.3288 3 29.6737 99 89503 30316 8 8 16 7 9 a-Alanine, conf. II
24337.6834 0.0166 -6.5124 3 15.7892 75 89503 30312 5 8 12 4 9 a-Alanine, conf. II
24407.5497 0.0262 -6.4934 3 18.1462 81 89503 30313 4 9 13 310 a-Alanine, conf. II
24425.2472 37.4984 -6.1851 3 446.7301387 89503 303642638 642639 a-Alanine, conf. II
24497.8458 0.0009 -6.6620 3 1.7472 33 89503 303 5 0 5 4 1 4 a-Alanine, conf. II
24554.2913 0.0695 -5.9079 3 31.6469105 89503 30317 611 17 612 a-Alanine, conf. II
24582.5654 0.0009 -5.5014 3 1.7472 33 89503 303 5 1 5 4 1 4 a-Alanine, conf. II
24599.7660 0.0468 -5.9503 3 24.4536 93 89503 30315 510 15 511 a-Alanine, conf. II
24608.0327121.8613 -6.5743 3 677.7914477 89503 303793247 793248 a-Alanine, conf. II
24616.0341 0.0218 -6.4901 3 17.4656 75 89503 30312 7 5 12 6 6 a-Alanine, conf. II
24626.6496 0.0100 -6.6091 3 12.7589 69 89503 30311 4 8 11 3 9 a-Alanine, conf. II
24638.3180 0.0977 -5.7941 3 86.4315171 89503 303281117 281118 a-Alanine, conf. II
24726.2488 0.0010 -5.4947 3 1.7396 33 89503 303 5 0 5 4 0 4 a-Alanine, conf. II
24753.8836 0.0695 -6.1084 3 64.1289147 89503 303241014 24 915 a-Alanine, conf. II
24762.0265 0.0098 -6.0964 3 12.7544 69 89503 30311 4 8 11 2 9 a-Alanine, conf. II
24786.0973 57.8177 -6.2926 3 518.4722417 89503 303692841 692842 a-Alanine, conf. II
24798.0031 0.0710 -6.1258 3 59.3021141 89503 303231013 23 914 a-Alanine, conf. II
24810.9684 0.0010 -6.6479 3 1.7396 33 89503 303 5 1 5 4 0 4 a-Alanine, conf. II
24848.2847 85.4996 -6.4224 3 595.4981447 89503 303743044 743045 a-Alanine, conf. II
24854.5797 0.0113 -6.5560 3 9.4858 57 89503 303 9 5 5 9 3 6 a-Alanine, conf. II
24889.3056 0.6769 -5.7868 3 134.7918213 89503 303351421 351422 a-Alanine, conf. II
24984.6513 0.0221 -6.4235 3 19.0537 81 89503 30313 6 8 13 5 9 a-Alanine, conf. II
24992.7470 0.0055 -6.1971 3 9.9592 63 89503 30310 2 8 10 2 9 a-Alanine, conf. II
25008.8678 0.0054 -6.7577 3 9.9587 63 89503 30310 2 8 10 1 9 a-Alanine, conf. II
25075.8067 0.0155 -6.0636 3 15.7646 75 89503 30312 5 8 12 3 9 a-Alanine, conf. II
25249.1177 0.0428 -6.3734 3 24.4319 93 89503 30315 510 15 411 a-Alanine, conf. II
25331.1670 0.0050 -6.7475 3 9.9592 63 89503 30310 3 8 10 2 9 a-Alanine, conf. II
25347.2878 0.0049 -6.1865 3 9.9587 63 89503 30310 3 8 10 1 9 a-Alanine, conf. II
25501.2604 0.0016 -6.9411 3 2.1334 33 89503 303 5 1 4 4 2 3 a-Alanine, conf. II
25523.0061 0.0535 -6.2054 3 41.2127117 89503 30319 910 19 811 a-Alanine, conf. II
25606.0043 5.9827 -5.8587 3 242.0686285 89503 303471928 471929 a-Alanine, conf. II
25756.4169 0.0606 -6.2816 3 31.6068105 89503 30317 611 17 512 a-Alanine, conf. II
25986.1739 0.0014 -6.9162 3 1.2666 27 89503 303 4 2 3 3 1 2 a-Alanine, conf. II
26000.1502 0.0097 -6.4122 3 7.3939 57 89503 303 9 1 8 9 1 9 a-Alanine, conf. II
26001.1109 0.0097 -7.0116 3 7.3939 57 89503 303 9 1 8 9 0 9 a-Alanine, conf. II
26003.2434 0.0244 -6.5183 3 15.1208 69 89503 30311 7 4 11 6 5 a-Alanine, conf. II
26026.3530 0.0756 -6.2093 3 39.6662117 89503 30319 712 19 613 a-Alanine, conf. II
26046.0179 0.0097 -7.0102 3 7.3939 57 89503 303 9 2 8 9 1 9 a-Alanine, conf. II
26046.9785 0.0097 -6.4108 3 7.3939 57 89503 303 9 2 8 9 0 9 a-Alanine, conf. II
26194.6749 0.0836 -6.1499 3 48.6055129 89503 30321 813 21 714 a-Alanine, conf. II
26422.0288 0.0827 -6.0980 3 58.4208141 89503 30323 914 23 815 a-Alanine, conf. II
26528.8387 0.0256 -6.3804 3 19.8871 81 89503 30313 7 7 13 6 8 a-Alanine, conf. II
26546.1629 0.0249 -6.4345 3 17.3935 75 89503 30312 7 6 12 6 7 a-Alanine, conf. II
26674.7123 0.0757 -6.1074 3 54.6572135 89503 303221012 22 913 a-Alanine, conf. II
26692.8290 0.1142 -5.7443 3 74.3629159 89503 303261016 261017 a-Alanine, conf. II
26704.9425 0.0920 -6.0334 3 75.2533159 89503 303261115 261016 a-Alanine, conf. II
26727.0724 0.0325 -6.3071 3 26.4802 93 89503 30315 8 7 15 7 8 a-Alanine, conf. II
26789.3439 0.0266 -6.3479 3 21.6731 87 89503 30314 6 9 14 510 a-Alanine, conf. II
26793.1407 0.0259 -6.4954 3 15.0922 69 89503 30311 7 5 11 6 6 a-Alanine, conf. II
26857.5573 0.0274 -6.5787 3 12.9966 63 89503 30310 7 3 10 6 4 a-Alanine, conf. II
26857.6278 0.0115 -6.7825 3 7.7020 51 89503 303 8 5 4 8 3 5 a-Alanine, conf. II
26862.4009 0.0134 -6.0029 3 14.8686 75 89503 30312 3 9 12 310 a-Alanine, conf. II
26875.6645 0.0780 -6.0494 3 69.1088153 89503 303251015 25 916 a-Alanine, conf. II
26887.4460 0.0196 -6.4215 3 18.1568 81 89503 30313 5 9 13 410 a-Alanine, conf. II
26902.1559 0.0281 -6.3270 3 22.5667 87 89503 30314 7 8 14 6 9 a-Alanine, conf. II
26913.8623 0.0132 -6.5307 3 14.8669 75 89503 30312 3 9 12 210 a-Alanine, conf. II
26968.2853 0.0015 -6.9823 3 0.5447 21 89503 303 3 2 1 2 0 2 a-Alanine, conf. II
27064.5040 0.0007 -5.4766 3 2.1334 33 89503 303 5 2 4 4 2 3 a-Alanine, conf. II
27125.5223 0.0279 -6.5710 3 12.9871 63 89503 30310 7 4 10 6 5 a-Alanine, conf. II
27147.3861 11.5373 -5.8848 3 295.7048315 89503 303522131 522132 a-Alanine, conf. II
27205.4531 0.0188 -5.9432 3 18.1462 81 89503 30313 5 9 13 310 a-Alanine, conf. II
27331.1855 2.0128 -5.7460 3 175.5558243 89503 303401624 401625 a-Alanine, conf. II
27371.3008 0.0301 -6.6752 3 11.0824 57 89503 303 9 7 2 9 6 3 a-Alanine, conf. II
27445.4008 0.0302 -6.6731 3 11.0799 57 89503 303 9 7 3 9 6 4 a-Alanine, conf. II
27508.4194 0.0023 -6.7939 3 0.8575 21 89503 303 3 3 1 2 2 0 a-Alanine, conf. II
27600.5242 0.0112 -6.5108 3 14.8686 75 89503 30312 4 9 12 310 a-Alanine, conf. II
27651.9856 0.0110 -5.9813 3 14.8669 75 89503 30312 4 9 12 210 a-Alanine, conf. II
27689.7855 0.0325 -6.8255 3 9.3706 51 89503 303 8 7 1 8 6 2 a-Alanine, conf. II
27705.7133 0.0325 -6.8250 3 9.3701 51 89503 303 8 7 2 8 6 3 a-Alanine, conf. II
27711.8920 0.0849 -6.0004 3 80.6676165 89503 303271116 271017 a-Alanine, conf. II
27760.8841 0.3865 -5.7042 3 119.6450201 89503 303331320 331321 a-Alanine, conf. II
27782.5547 0.0215 -6.0656 3 18.9604 81 89503 30313 6 8 13 4 9 a-Alanine, conf. II
27799.5840 0.0324 -6.2705 3 25.4248 93 89503 30315 7 9 15 610 a-Alanine, conf. II
27843.7388 0.0023 -6.7922 3 0.8482 21 89503 303 3 3 0 2 2 1 a-Alanine, conf. II
27861.7336 0.1006 -6.0263 3 70.0053153 89503 303251114 251015 a-Alanine, conf. II
28192.0124302.3746 -6.9096 3 915.5012555 89503 303923755 923756 a-Alanine, conf. II
28197.8296 0.0246 -5.9378 3 21.6261 87 89503 30314 6 9 14 410 a-Alanine, conf. II
28203.8248 0.0011 -5.5505 3 2.5281 33 89503 303 5 3 3 4 3 2 a-Alanine, conf. II
28245.4514 0.0007 -5.4032 3 2.0419 33 89503 303 5 1 4 4 1 3 a-Alanine, conf. II
28295.7896 0.0018 -5.7959 3 3.0309 33 89503 303 5 4 2 4 4 1 a-Alanine, conf. II
28310.3002 0.1237 -5.7118 3 63.1846147 89503 30324 915 24 916 a-Alanine, conf. II
28317.2840 0.0064 -6.0825 3 11.8098 69 89503 30311 2 9 11 210 a-Alanine, conf. II
28322.7637 0.0063 -6.6523 3 11.8096 69 89503 30311 2 9 11 110 a-Alanine, conf. II
28354.0020 0.0280 -5.8736 3 20.6803 87 89503 30314 410 14 411 a-Alanine, conf. II
28356.6539 0.0502 -6.1722 3 37.3985111 89503 30318 9 9 18 810 a-Alanine, conf. II
28366.4589 0.0019 -5.7937 3 3.0312 33 89503 303 5 4 1 4 4 0 a-Alanine, conf. II
28418.5964 20.4632 -5.9353 3 354.6707345 89503 303572334 572335 a-Alanine, conf. II
28452.6609 0.0062 -6.6486 3 11.8098 69 89503 30311 3 9 11 210 a-Alanine, conf. II
28458.1406 0.0062 -6.0786 3 11.8096 69 89503 30311 3 9 11 110 a-Alanine, conf. II
28483.3110 0.0273 -6.3685 3 20.6760 87 89503 30314 410 14 311 a-Alanine, conf. II
28696.4937 0.0337 -6.3045 3 23.5223 87 89503 30314 8 6 14 7 7 a-Alanine, conf. II
28724.1113 0.0205 -6.2139 3 16.4354 75 89503 30312 6 7 12 4 8 a-Alanine, conf. II
29062.5093 0.1128 -5.9488 3 93.0966177 89503 303291217 291118 a-Alanine, conf. II
29116.2533 0.0314 -6.2703 3 24.4536 93 89503 30315 610 15 511 a-Alanine, conf. II
29141.6675 0.0017 -5.5191 3 2.5404 33 89503 303 5 3 2 4 3 1 a-Alanine, conf. II
29170.6449 0.0134 -6.3110 3 8.9857 63 89503 30310 1 9 10 110 a-Alanine, conf. II
29170.9381 0.0134 -6.9140 3 8.9856 63 89503 30310 1 9 10 010 a-Alanine, conf. II
29186.7657 0.0134 -6.9136 3 8.9857 63 89503 30310 2 9 10 110 a-Alanine, conf. II
29187.0589 0.0134 -6.3105 3 8.9856 63 89503 30310 2 9 10 010 a-Alanine, conf. II
29209.3227 0.0013 -6.4128 3 2.5672 39 89503 303 6 0 6 5 1 5 a-Alanine, conf. II
29238.6188 0.0013 -5.2688 3 2.5672 39 89503 303 6 1 6 5 1 5 a-Alanine, conf. II
29246.8832227.9043 -6.7056 3 819.6325525 89503 303873552 873553 a-Alanine, conf. II
29259.8165 0.1279 -5.9563 3 87.2534171 89503 303281216 281117 a-Alanine, conf. II
29288.3879 0.0381 -6.2091 3 28.4538 99 89503 30316 710 16 611 a-Alanine, conf. II
29294.0423 0.0013 -5.2668 3 2.5643 39 89503 303 6 0 6 5 0 5 a-Alanine, conf. II
29323.3383 0.0013 -6.4088 3 2.5643 39 89503 303 6 1 6 5 0 5 a-Alanine, conf. II
29394.4762 34.0429 -6.0089 3 418.9543375 89503 303622537 622538 a-Alanine, conf. II
29407.0574 0.0477 -5.7865 3 27.3913 99 89503 30316 511 16 512 a-Alanine, conf. II
29418.1080 0.1155 -5.6975 3 52.8972135 89503 30322 814 22 815 a-Alanine, conf. II
29545.5512 4.6791 -5.7345 3 221.6739273 89503 303451827 451828 a-Alanine, conf. II
29596.1102 0.0747 -6.0704 3 50.2231129 89503 303211011 21 912 a-Alanine, conf. II
29687.5820 0.0456 -6.2473 3 27.3820 99 89503 30316 511 16 412 a-Alanine, conf. II
29762.4877 0.0224 -6.3342 3 20.6803 87 89503 30314 510 14 411 a-Alanine, conf. II
29765.6051 0.0295 -5.8251 3 24.4319 93 89503 30315 610 15 411 a-Alanine, conf. II
29808.6950 0.0016 -6.6922 3 2.0419 33 89503 303 5 2 4 4 1 3 a-Alanine, conf. II
29891.7967 0.0219 -5.8348 3 20.6760 87 89503 30314 510 14 311 a-Alanine, conf. II
29947.2273 0.0014 -5.3752 3 2.2402 33 89503 303 5 2 3 4 2 2 a-Alanine, conf. II
29961.8630 0.0712 -5.7316 3 34.9991111 89503 30318 612 18 613 a-Alanine, conf. II
29971.3209166.8900 -6.5232 3 728.9832495 89503 303823349 823350 a-Alanine, conf. II
29972.4183 0.0956 -5.7032 3 43.5016123 89503 30320 713 20 714 a-Alanine, conf. II
30022.7334 0.0372 -6.3271 3 20.7948 81 89503 30313 8 5 13 7 6 a-Alanine, conf. II
30034.3779 0.0376 -6.2226 3 26.3521 93 89503 30315 8 8 15 7 9 a-Alanine, conf. II
30052.5692 53.7807 -6.1049 3 488.5423405 89503 303672740 672741 a-Alanine, conf. II
30132.3655 0.0402 -6.1819 3 29.4307 99 89503 30316 8 9 16 710 a-Alanine, conf. II
30260.8044 0.0374 -6.2640 3 23.4640 87 89503 30314 8 7 14 7 8 a-Alanine, conf. II
30306.8455 0.1899 -5.6376 3 105.3861189 89503 303311219 311220 a-Alanine, conf. II
30349.0728118.4982 -6.3623 3 643.5732465 89503 303773146 773147 a-Alanine, conf. II
30374.7715 81.3506 -6.2228 3 563.4205435 89503 303722943 722944 a-Alanine, conf. II
30391.0042 0.0133 -5.8873 3 17.1325 81 89503 30313 310 13 311 a-Alanine, conf. II
30409.8132 0.0132 -6.4288 3 17.1318 81 89503 30313 310 13 211 a-Alanine, conf. II
30511.4789 0.0663 -6.1556 3 34.9808111 89503 30318 612 18 513 a-Alanine, conf. II
30577.7731 0.1039 -5.9917 3 64.9546147 89503 303241113 241014 a-Alanine, conf. II
30652.5520 0.0389 -6.3108 3 20.7720 81 89503 30313 8 6 13 7 7 a-Alanine, conf. II
30669.6227 1.3717 -5.6501 3 158.2248231 89503 303381523 381524 a-Alanine, conf. II
30708.0705 0.0448 -6.1381 3 32.6927105 89503 30317 810 17 711 a-Alanine, conf. II
30709.0113 0.0120 -6.4208 3 17.1325 81 89503 30313 410 13 311 a-Alanine, conf. II
30727.8203 0.0120 -5.8788 3 17.1318 81 89503 30313 410 13 211 a-Alanine, conf. II
30865.9224 0.0410 -6.3742 3 18.2867 75 89503 30312 8 4 12 7 5 a-Alanine, conf. II
30870.7358 0.0200 -6.3825 3 14.0625 69 89503 30311 6 6 11 4 7 a-Alanine, conf. II
30897.3381 0.0478 -6.1490 3 33.8209105 89503 30317 9 8 17 8 9 a-Alanine, conf. II
30947.9822 0.0848 -5.9299 3 86.2211171 89503 303281117 281018 a-Alanine, conf. II
30950.9287 0.0898 -5.9592 3 74.2209159 89503 303261016 26 917 a-Alanine, conf. II
30969.6832 0.0858 -6.0861 3 43.4683123 89503 30320 713 20 614 a-Alanine, conf. II
31024.9413 0.1545 -5.8933 3 106.3970189 89503 303311318 311219 a-Alanine, conf. II
31064.8413 0.1000 -5.9924 3 63.0927147 89503 30324 915 24 816 a-Alanine, conf. II
31082.7124 0.0416 -6.3686 3 18.2790 75 89503 30312 8 5 12 7 6 a-Alanine, conf. II
31119.4044 0.0987 -6.0333 3 52.8404135 89503 30322 814 22 715 a-Alanine, conf. II
31231.8842 0.1127 -5.9011 3 99.0903183 89503 303301218 301119 a-Alanine, conf. II
31278.0111 0.0014 -6.5681 3 3.0362 39 89503 303 6 1 5 5 2 4 a-Alanine, conf. II
31352.6435 0.0445 -6.1437 3 31.6469105 89503 30317 711 17 612 a-Alanine, conf. II
31410.7203 0.0446 -6.4455 3 15.9881 69 89503 30311 8 3 11 7 4 a-Alanine, conf. II
31464.4830 0.1380 -5.9294 3 81.5919165 89503 303271215 271116 a-Alanine, conf. II
31473.9087 0.0447 -6.4438 3 15.9859 69 89503 30311 8 4 11 7 5 a-Alanine, conf. II
31505.9185 9.4483 -5.7495 3 273.1371303 89503 303502030 502031 a-Alanine, conf. II
31556.2632 0.0083 -5.9846 3 13.8143 75 89503 30312 210 12 211 a-Alanine, conf. II
31558.0771 0.0083 -6.5614 3 13.8142 75 89503 30312 210 12 111 a-Alanine, conf. II
31607.7246 0.0083 -6.5601 3 13.8143 75 89503 30312 310 12 211 a-Alanine, conf. II
31609.5385 0.0083 -5.9833 3 13.8142 75 89503 30312 310 12 111 a-Alanine, conf. II
31732.9611 0.0365 -5.8369 3 28.3722 99 89503 30316 710 16 511 a-Alanine, conf. II
31778.3057 0.0479 -6.5474 3 13.8925 63 89503 30310 8 2 10 7 3 a-Alanine, conf. II
31793.4691 0.0479 -6.5470 3 13.8919 63 89503 30310 8 3 10 7 4 a-Alanine, conf. II
31851.6305 0.0361 -6.1932 3 27.3913 99 89503 30316 611 16 512 a-Alanine, conf. II
31866.0449 0.0512 -6.0892 3 36.1300111 89503 30318 811 18 712 a-Alanine, conf. II
31965.1558 0.1620 -5.8700 3 112.8270195 89503 303321319 321220 a-Alanine, conf. II
32032.4496 0.0009 -5.2324 3 3.0362 39 89503 303 6 2 5 5 2 4 a-Alanine, conf. II
32034.5203 0.0510 -6.7008 3 11.9954 57 89503 303 9 8 1 9 7 2 a-Alanine, conf. II
32037.3554 0.0510 -6.7007 3 11.9953 57 89503 303 9 8 2 9 7 3 a-Alanine, conf. II
32132.1552 0.0348 -5.7229 3 27.3820 99 89503 30316 611 16 412 a-Alanine, conf. II
32187.9556 0.0281 -5.7535 3 23.3582 93 89503 30315 411 15 412 a-Alanine, conf. II
32238.2600 0.0278 -6.2671 3 23.3566 93 89503 30315 411 15 312 a-Alanine, conf. II
32316.0713 0.0348 -5.9568 3 25.2741 93 89503 30315 7 9 15 510 a-Alanine, conf. II
32326.4703 0.0179 -6.2217 3 10.7313 69 89503 30311 110 11 111 a-Alanine, conf. II
32326.5584 0.0179 -6.8276 3 10.7313 69 89503 30311 110 11 011 a-Alanine, conf. II
32331.9500 0.0180 -6.8275 3 10.7313 69 89503 30311 210 11 111 a-Alanine, conf. II
32332.0381 0.0180 -6.2216 3 10.7313 69 89503 30311 210 11 011 a-Alanine, conf. II
32419.9165 0.1033 -5.5866 3 92.0152177 89503 303291118 291119 a-Alanine, conf. II
32432.6295 0.1775 -5.8782 3 100.1321183 89503 303301317 301218 a-Alanine, conf. II
32476.7227 0.0120 -6.8827 3 10.3495 63 89503 30310 3 7 9 5 4 a-Alanine, conf. II
32493.0597 0.0022 -6.6721 3 1.4442 27 89503 303 4 3 2 3 2 1 a-Alanine, conf. II
32554.7691 0.0416 -5.7308 3 31.6068105 89503 30317 711 17 512 a-Alanine, conf. II
32614.8962 0.0697 -6.0338 3 46.0221123 89503 303201010 20 911 a-Alanine, conf. II
32772.0219 0.0498 -6.1465 3 30.4818 99 89503 30316 9 7 16 8 8 a-Alanine, conf. II
32837.3073 0.0248 -6.2523 3 23.3582 93 89503 30315 511 15 412 a-Alanine, conf. II
32841.2547 0.0010 -5.1981 3 2.9841 39 89503 303 6 1 5 5 1 4 a-Alanine, conf. II
32887.6118 0.0245 -5.7370 3 23.3566 93 89503 30315 511 15 312 a-Alanine, conf. II
33183.9619 17.3514 -5.7891 3 329.9350333 89503 303552233 552234 a-Alanine, conf. II
33282.2679 0.2049 -5.8346 3 127.4309207 89503 303341420 341321 a-Alanine, conf. II
33344.5889 3.4755 -5.6267 3 202.1631261 89503 303431726 431727 a-Alanine, conf. II
33454.6895 0.0554 -6.0551 3 37.1929111 89503 30318 910 18 811 a-Alanine, conf. II
33595.6932 0.0017 -6.4721 3 2.9841 39 89503 303 6 2 5 5 1 4 a-Alanine, conf. II
33603.1795 0.0533 -6.0858 3 33.7170105 89503 30317 9 9 17 810 a-Alanine, conf. II
33633.0195 0.0585 -6.0348 3 39.7350117 89503 30319 812 19 713 a-Alanine, conf. II
33653.7614 0.2138 -5.8340 3 120.5710201 89503 303331419 331320 a-Alanine, conf. II
33660.1393 0.0476 -5.6585 3 30.4840105 89503 30317 512 17 513 a-Alanine, conf. II
33698.1241 0.8596 -5.5696 3 141.7796219 89503 303361422 361423 a-Alanine, conf. II
33707.9195 0.0011 -5.2526 3 3.4689 39 89503 303 6 3 4 5 3 3 a-Alanine, conf. II
33724.4366 0.0598 -6.0219 3 40.8569117 89503 30319 911 19 812 a-Alanine, conf. II
33745.7899 0.0200 -6.5651 3 11.8615 63 89503 30310 6 5 10 4 6 a-Alanine, conf. II
33750.0284 0.0135 -5.7906 3 19.5502 87 89503 30314 311 14 312 a-Alanine, conf. II
33756.6903 0.0134 -6.3423 3 19.5500 87 89503 30314 311 14 212 a-Alanine, conf. II
33775.5083 0.0466 -6.1441 3 30.4802105 89503 30317 512 17 413 a-Alanine, conf. II
33859.4809 0.0018 -6.2077 3 3.5425 45 89503 303 7 0 7 6 1 6 a-Alanine, conf. II
33869.1494 0.0018 -5.0733 3 3.5425 45 89503 303 7 1 7 6 1 6 a-Alanine, conf. II
33879.3374 0.0129 -6.3393 3 19.5502 87 89503 30314 411 14 312 a-Alanine, conf. II
33885.9993 0.0128 -5.7875 3 19.5500 87 89503 30314 411 14 212 a-Alanine, conf. II
33888.7769 0.0018 -5.0727 3 3.5415 45 89503 303 7 0 7 6 0 6 a-Alanine, conf. II
33894.1144 0.0999 -5.9480 3 60.1293141 89503 303231112 231013 a-Alanine, conf. II
33898.4454 0.0018 -6.2065 3 3.5415 45 89503 303 7 1 7 6 0 6 a-Alanine, conf. II
33903.5367 0.0510 -6.0762 3 34.9991111 89503 30318 712 18 613 a-Alanine, conf. II
33939.3984 0.0032 -5.6332 3 4.6178 39 89503 303 6 5 2 5 5 1 a-Alanine, conf. II
33952.6657 0.0032 -5.6328 3 4.6178 39 89503 303 6 5 1 5 5 0 a-Alanine, conf. II
34007.3060 0.0536 -6.1176 3 30.4358 99 89503 30316 9 8 16 8 9 a-Alanine, conf. II
34017.6996 0.1087 -5.5513 3 79.5329165 89503 303271017 271018 a-Alanine, conf. II
34027.1178 0.0541 -6.1657 3 27.3717 93 89503 30315 9 6 15 8 7 a-Alanine, conf. II
34078.7533 0.0019 -5.3695 3 3.9747 39 89503 303 6 4 3 5 4 2 a-Alanine, conf. II
34122.7870 0.0022 -6.6817 3 1.4022 27 89503 303 4 3 1 3 2 2 a-Alanine, conf. II
34347.9613 0.0346 -6.0915 3 22.3183 87 89503 30314 7 8 14 5 9 a-Alanine, conf. II
34370.7864 0.0022 -5.3618 3 3.9774 39 89503 303 6 4 2 5 4 1 a-Alanine, conf. II
34453.1526 0.0486 -5.6342 3 34.9808111 89503 30318 712 18 513 a-Alanine, conf. II
34518.0618 0.0558 -6.1543 3 27.3539 93 89503 30315 9 7 15 8 8 a-Alanine, conf. II
34546.6497 0.0661 -5.9837 3 44.7009123 89503 30320 912 20 813 a-Alanine, conf. II
34550.9695 29.7033 -5.8519 3 392.0562363 89503 303602436 602437 a-Alanine, conf. II
34746.7731 0.0702 -5.5928 3 38.5071117 89503 30319 613 19 614 a-Alanine, conf. II
34753.8964 0.0112 -5.8988 3 15.9726 81 89503 30313 211 13 212 a-Alanine, conf. II
34754.4839 0.0112 -6.4811 3 15.9726 81 89503 30313 211 13 112 a-Alanine, conf. II
34772.7054 0.0112 -6.4806 3 15.9726 81 89503 30313 311 13 212 a-Alanine, conf. II
34773.2929 0.0112 -5.8983 3 15.9726 81 89503 30313 311 13 112 a-Alanine, conf. II
34823.6458 0.1381 -5.8842 3 76.1441159 89503 303261214 261115 a-Alanine, conf. II
34857.7577 0.0588 -6.2036 3 24.4795 87 89503 30314 9 5 14 8 6 a-Alanine, conf. II
34862.2650 0.0403 -6.1188 3 30.4840105 89503 30317 612 17 513 a-Alanine, conf. II
34971.8675301.3380 -6.6796 3 875.7693543 89503 303903654 903655 a-Alanine, conf. II
34977.6339 0.0396 -5.6295 3 30.4802105 89503 30317 612 17 413 a-Alanine, conf. II
34984.6757 0.0678 -6.0493 3 38.4992117 89503 30319 613 19 514 a-Alanine, conf. II
35028.4801 0.0593 -6.1996 3 24.4734 87 89503 30314 9 6 14 8 7 a-Alanine, conf. II
35048.7074 0.1194 -5.5328 3 67.9397153 89503 30325 916 25 917 a-Alanine, conf. II
35077.9956 0.0679 -6.0123 3 42.0640117 89503 3031910 9 19 910 a-Alanine, conf. II
35203.6526 0.0022 -6.7465 3 1.0659 27 89503 303 4 2 2 3 0 3 a-Alanine, conf. II
35278.9908 0.2438 -5.7941 3 142.9036219 89503 303361521 361422 a-Alanine, conf. II
35324.2219 0.2463 -5.8100 3 119.3927201 89503 303331320 331221 a-Alanine, conf. II
35380.2626 0.0935 -5.5517 3 47.4254129 89503 30321 714 21 715 a-Alanine, conf. II
35428.2947 0.0632 -6.2589 3 21.7963 81 89503 30313 9 4 13 8 5 a-Alanine, conf. II
35463.0375 0.3477 -5.7963 3 134.4391213 89503 303351421 351322 a-Alanine, conf. II
35475.6873 0.0233 -6.1419 3 12.6309 75 89503 30312 111 12 112 a-Alanine, conf. II
35475.7134 0.0233 -6.7502 3 12.6309 75 89503 30312 111 12 012 a-Alanine, conf. II
35477.5011 0.0233 -6.7502 3 12.6309 75 89503 30312 211 12 112 a-Alanine, conf. II
35477.5273 0.0233 -6.1419 3 12.6309 75 89503 30312 211 12 012 a-Alanine, conf. II
35479.9098 0.0634 -6.2578 3 21.7944 81 89503 30313 9 5 13 8 6 a-Alanine, conf. II
35496.6499 0.1123 -5.5323 3 57.2367141 89503 30323 815 23 816 a-Alanine, conf. II
35532.7044 0.1473 -5.8225 3 105.2118189 89503 303311219 311120 a-Alanine, conf. II
35533.9259 0.1879 -5.8365 3 94.0661177 89503 303291316 291217 a-Alanine, conf. II
35579.3413 48.1105 -5.9368 3 459.4878393 89503 303652639 652640 a-Alanine, conf. II
35614.3309 0.0024 -5.1955 3 3.5125 39 89503 303 6 3 3 5 3 2 a-Alanine, conf. II
35661.1739 0.0015 -5.1308 3 3.2391 39 89503 303 6 2 4 5 2 3 a-Alanine, conf. II
35697.5942 0.0567 -5.6539 3 39.6662117 89503 30319 812 19 613 a-Alanine, conf. II
35734.5388 0.0286 -5.6556 3 26.1900 99 89503 30316 412 16 413 a-Alanine, conf. II
35753.4288 0.0284 -6.1829 3 26.1894 99 89503 30316 412 16 313 a-Alanine, conf. II
35760.6208 7.4029 -5.6306 3 251.4510291 89503 303481929 481930 a-Alanine, conf. II
35807.7186 0.0542 -5.7543 3 35.9985111 89503 30318 811 18 612 a-Alanine, conf. II
35833.4229 0.0885 -5.9768 3 47.4102129 89503 30321 714 21 615 a-Alanine, conf. II
35838.0188 0.0675 -6.3345 3 19.3163 75 89503 30312 9 3 12 8 4 a-Alanine, conf. II
35851.3377 0.0675 -6.3342 3 19.3158 75 89503 30312 9 4 12 8 5 a-Alanine, conf. II
35889.1231222.3324 -6.4892 3 782.0206513 89503 303853451 853452 a-Alanine, conf. II
35902.7283 0.0935 -5.8368 3 91.8991177 89503 303291118 291019 a-Alanine, conf. II
35945.0274 0.0039 -6.6479 3 4.5932 45 89503 303 7 2 5 6 3 4 a-Alanine, conf. II
35954.1214 0.0661 -5.9766 3 43.5016123 89503 30320 813 20 714 a-Alanine, conf. II
35989.6578 0.0735 -5.9396 3 48.7167129 89503 30321 913 21 814 a-Alanine, conf. II
36015.0635 0.0268 -6.1769 3 26.1900 99 89503 30316 512 16 413 a-Alanine, conf. II
36033.9534 0.0267 -5.6491 3 26.1894 99 89503 30316 512 16 313 a-Alanine, conf. II
36118.5318 0.4073 -5.7790 3 150.3495225 89503 303371522 371423 a-Alanine, conf. II
36140.6797 0.0716 -6.4388 3 17.0359 69 89503 30311 9 2 11 8 3 a-Alanine, conf. II
36143.5163 0.0716 -6.4387 3 17.0358 69 89503 30311 9 3 11 8 4 a-Alanine, conf. II
36185.7427 0.2541 -5.8005 3 113.8932195 89503 303321418 321319 a-Alanine, conf. II
36244.2171 74.4531 -6.0434 3 532.2160423 89503 303702842 702843 a-Alanine, conf. II
36252.4728 0.0963 -5.8560 3 79.4583165 89503 303271017 27 918 a-Alanine, conf. II
36297.1846 0.4827 -5.5035 3 126.2202207 89503 303341321 341322 a-Alanine, conf. II
36307.3498 0.1037 -5.9227 3 57.2097141 89503 30323 815 23 716 a-Alanine, conf. II
36365.9139 0.0755 -6.5938 3 14.9525 63 89503 30310 9 1 10 8 2 a-Alanine, conf. II
36366.3843 0.0755 -6.5938 3 14.9525 63 89503 30310 9 2 10 8 3 a-Alanine, conf. II
36408.6731159.4154 -6.3197 3 693.4995483 89503 303803248 803249 a-Alanine, conf. II
36425.4493 0.1070 -5.8835 3 67.8938153 89503 30325 916 25 817 a-Alanine, conf. II
36474.6947 0.0166 -6.7109 3 12.3108 69 89503 30311 3 8 10 5 5 a-Alanine, conf. II
36525.2723110.8243 -6.1711 3 610.2254453 89503 303753045 753046 a-Alanine, conf. II
36532.3102 0.0014 -6.3010 3 4.1047 45 89503 303 7 1 6 6 2 5 a-Alanine, conf. II
36762.0113 0.0214 -6.7593 3 9.8536 57 89503 303 9 6 4 9 4 5 a-Alanine, conf. II
36811.3478 0.0569 -6.0091 3 38.5071117 89503 30319 713 19 614 a-Alanine, conf. II
36828.5284 0.0708 -6.0109 3 38.3443111 89503 3031810 8 18 9 9 a-Alanine, conf. II
36834.6383 0.0024 -6.5630 3 2.2402 33 89503 303 5 3 3 4 2 2 a-Alanine, conf. II
36851.8659 2.4404 -5.5339 3 183.5358249 89503 303411625 411626 a-Alanine, conf. II
36852.9194 0.0012 -5.0351 3 4.1047 45 89503 303 7 2 6 6 2 5 a-Alanine, conf. II
36855.6632 0.0784 -5.9187 3 49.9172129 89503 303211012 21 913 a-Alanine, conf. II
36868.7565 0.0746 -5.9432 3 45.8533123 89503 303201011 20 912 a-Alanine, conf. II
36923.4637 0.0945 -5.9121 3 55.5470135 89503 303221111 221012 a-Alanine, conf. II
36951.3864 0.0632 -5.5625 3 43.4683123 89503 30320 813 20 614 a-Alanine, conf. II
36952.8575 0.3250 -5.7723 3 135.6220213 89503 303351520 351421 a-Alanine, conf. II
37020.6952 0.0142 -5.7070 3 22.1217 93 89503 30315 312 15 313 a-Alanine, conf. II
37022.9945 0.0142 -6.2666 3 22.1216 93 89503 30315 312 15 213 a-Alanine, conf. II
37049.2504 0.0555 -5.5451 3 38.4992117 89503 30319 713 19 514 a-Alanine, conf. II
37070.9996 0.0139 -6.2655 3 22.1217 93 89503 30315 412 15 313 a-Alanine, conf. II
37073.2989 0.0139 -5.7058 3 22.1216 93 89503 30315 412 15 213 a-Alanine, conf. II
37232.2955 0.0731 -5.9660 3 41.9818117 89503 303191010 19 911 a-Alanine, conf. II
37286.7487 0.0013 -5.0213 3 4.0795 45 89503 303 7 1 6 6 1 5 a-Alanine, conf. II
37347.4990 0.0840 -5.8898 3 54.1660135 89503 303221013 22 914 a-Alanine, conf. II
37427.9536 0.3891 -5.7565 3 167.1242237 89503 303391623 391524 a-Alanine, conf. II
37473.4753 0.0337 -6.2354 3 19.5220 81 89503 30313 7 7 13 5 8 a-Alanine, conf. II
37480.8655 0.0480 -5.5569 3 33.7305111 89503 30318 513 18 514 a-Alanine, conf. II
37506.4228 0.0552 -5.8661 3 32.4659105 89503 30317 810 17 611 a-Alanine, conf. II
37526.4994 0.0475 -6.0599 3 33.7290111 89503 30318 513 18 414 a-Alanine, conf. II
37590.7644 0.0050 -6.3725 3 1.7770 27 89503 303 4 4 1 3 3 0 a-Alanine, conf. II
37607.3579 0.0017 -6.2670 3 4.0795 45 89503 303 7 2 6 6 1 5 a-Alanine, conf. II
37655.9808 0.0050 -6.3717 3 1.7751 27 89503 303 4 4 0 3 3 1 a-Alanine, conf. II
37784.2186 0.0742 -5.9904 3 38.3089111 89503 3031810 9 18 910 a-Alanine, conf. II
37889.0977 14.1283 -5.6595 3 306.0788321 89503 303532132 532133 a-Alanine, conf. II
37931.3045 0.0151 -5.8223 3 18.2847 87 89503 30314 212 14 213 a-Alanine, conf. II
37931.4914 0.0151 -6.4090 3 18.2847 87 89503 30314 212 14 113 a-Alanine, conf. II
37937.9664 0.0151 -6.4089 3 18.2847 87 89503 30314 312 14 213 a-Alanine, conf. II
37938.1533 0.0151 -5.8221 3 18.2847 87 89503 30314 312 14 113 a-Alanine, conf. II
37939.4449 0.0270 -6.7587 3 14.4991 75 89503 30312 3 9 11 5 6 a-Alanine, conf. II
38003.5328 0.3611 -5.7489 3 159.2478231 89503 303381622 381523 a-Alanine, conf. II
38015.3483 0.0758 -6.0274 3 34.8516105 89503 3031710 7 17 9 8 a-Alanine, conf. II
38030.4814 0.0440 -6.0490 3 33.7305111 89503 30318 613 18 514 a-Alanine, conf. II
38038.5927 0.0810 -5.8903 3 52.8972135 89503 30322 914 22 815 a-Alanine, conf. II
38076.1153 0.0437 -5.5446 3 33.7290111 89503 30318 613 18 414 a-Alanine, conf. II
38186.9158 0.0031 -6.7399 3 1.2666 27 89503 303 4 3 1 3 1 2 a-Alanine, conf. II
38315.5616 0.1317 -5.8384 3 70.9346153 89503 303251213 251114 a-Alanine, conf. II
38373.3289 0.2346 -5.4519 3 111.5470195 89503 303321220 321221 a-Alanine, conf. II
38391.3677 0.0772 -6.0194 3 34.8379105 89503 3031710 8 17 9 9 a-Alanine, conf. II
38449.7465 0.0904 -5.8551 3 58.5912141 89503 303231014 23 915 a-Alanine, conf. II
38486.0334 0.0025 -6.0325 3 4.6722 51 89503 303 8 0 8 7 1 7 a-Alanine, conf. II
38489.1196 0.0025 -4.9045 3 4.6722 51 89503 303 8 1 8 7 1 7 a-Alanine, conf. II
38495.7019 0.0025 -4.9043 3 4.6719 51 89503 303 8 0 8 7 0 7 a-Alanine, conf. II
38498.7881 0.0025 -6.0322 3 4.6719 51 89503 303 8 1 8 7 0 7 a-Alanine, conf. II
38621.7235 0.0295 -6.0699 3 14.6843 81 89503 30313 112 13 113 a-Alanine, conf. II
38621.7312 0.0295 -6.6802 3 14.6843 81 89503 30313 112 13 013 a-Alanine, conf. II
38622.3110 0.0295 -6.6802 3 14.6843 81 89503 30313 212 13 113 a-Alanine, conf. II
38622.3187 0.0295 -6.0699 3 14.6843 81 89503 30313 212 13 013 a-Alanine, conf. II
38714.6854 0.0731 -5.9168 3 47.4254129 89503 30321 814 21 715 a-Alanine, conf. II
38835.4579 0.0811 -6.0585 3 31.5749 99 89503 3031610 6 16 9 7 a-Alanine, conf. II
38946.6905 0.0696 -5.4846 3 42.1692123 89503 30320 614 20 615 a-Alanine, conf. II
38967.2186 0.0816 -6.0557 3 31.5702 99 89503 3031610 7 16 9 8 a-Alanine, conf. II
39034.2382 0.0013 -5.0277 3 4.5932 45 89503 303 7 3 5 6 3 4 a-Alanine, conf. II
39045.3616 0.0686 -5.9632 3 42.1659123 89503 30320 614 20 515 a-Alanine, conf. II
39119.1802 0.0295 -5.5726 3 29.1753105 89503 30317 413 17 414 a-Alanine, conf. II
39126.0699 0.0295 -6.1103 3 29.1751105 89503 30317 413 17 314 a-Alanine, conf. II
39167.8457 0.0710 -5.4776 3 47.4102129 89503 30321 814 21 615 a-Alanine, conf. II
39234.5491 0.0287 -6.1080 3 29.1753105 89503 30317 513 17 414 a-Alanine, conf. II
39238.5278 0.0937 -5.8936 3 51.2103129 89503 303211110 211011 a-Alanine, conf. II
39241.4388 0.0286 -5.5701 3 29.1751105 89503 30317 513 17 314 a-Alanine, conf. II
39298.6763 0.1832 -5.7856 3 88.2294171 89503 303281315 281216 a-Alanine, conf. II
39324.0806 0.0789 -5.5906 3 48.6055129 89503 30321 913 21 714 a-Alanine, conf. II
39411.6600 0.0206 -6.6856 3 15.1208 75 89503 30312 4 8 11 6 5 a-Alanine, conf. II
39428.4831 0.0865 -6.1027 3 28.5068 93 89503 3031510 5 15 9 6 a-Alanine, conf. II
39469.4056 0.0866 -6.1019 3 28.5053 93 89503 3031510 6 15 9 7 a-Alanine, conf. II
39485.0107 0.3610 -5.7281 3 184.7651249 89503 303411724 411625 a-Alanine, conf. II
39558.1055 0.7776 -5.7280 3 157.9283231 89503 303381523 381424 a-Alanine, conf. II
39567.0770 0.0053 -5.4984 3 6.5364 45 89503 303 7 6 2 6 6 1 a-Alanine, conf. II
39569.3069 0.0053 -5.4983 3 6.5364 45 89503 303 7 6 1 6 6 0 a-Alanine, conf. II
39576.6133 0.9157 -5.7265 3 175.1473243 89503 303401624 401525 a-Alanine, conf. II
39699.4026 24.9339 -5.7116 3 366.0352351 89503 303582335 582336 a-Alanine, conf. II
39739.8891 0.0813 -5.5039 3 52.8404135 89503 30322 914 22 715 a-Alanine, conf. II
39746.0722 5.5418 -5.5264 3 230.6463279 89503 303461828 461829 a-Alanine, conf. II
39760.5084 0.0033 -5.2265 3 5.7499 45 89503 303 7 5 3 6 5 2 a-Alanine, conf. II
39829.4738 0.0034 -5.2250 3 5.7504 45 89503 303 7 5 2 6 5 1 a-Alanine, conf. II
39834.0357 0.0020 -5.0870 3 5.1114 45 89503 303 7 4 4 6 4 3 a-Alanine, conf. II
39866.0145 0.1129 -5.4152 3 97.7605183 89503 303301119 301120 a-Alanine, conf. II
39874.9790 0.0918 -6.1615 3 25.6422 87 89503 3031410 4 14 9 5 a-Alanine, conf. II
39886.0984 0.0918 -6.1612 3 25.6419 87 89503 3031410 5 14 9 6 a-Alanine, conf. II
39934.4607 1.6070 -5.4549 3 165.7922237 89503 303391524 391525 a-Alanine, conf. II
39943.9555 0.0622 -5.9447 3 42.1692123 89503 30320 714 20 615 a-Alanine, conf. II
39949.8132 0.5722 -5.7273 3 141.5711219 89503 303361422 361323 a-Alanine, conf. II
39961.0959 0.2610 -5.7491 3 107.4319189 89503 303311417 311318 a-Alanine, conf. II
40042.6265 0.0614 -5.4631 3 42.1659123 89503 30320 714 20 515 a-Alanine, conf. II
40075.8491 0.0909 -5.4341 3 51.5037135 89503 30322 715 22 716 a-Alanine, conf. II
40102.4444 0.1016 -5.8265 3 59.8737141 89503 303231113 231014 a-Alanine, conf. II
40181.6457 0.9064 -5.7205 3 193.2269255 89503 303421725 421626 a-Alanine, conf. II
40190.1839 0.0967 -5.8144 3 63.1846147 89503 303241015 24 916 a-Alanine, conf. II
40218.9892 0.0970 -6.2389 3 22.9780 81 89503 3031310 3 13 9 4 a-Alanine, conf. II
40221.5741 0.0970 -6.2388 3 22.9779 81 89503 3031310 4 13 9 5 a-Alanine, conf. II
40246.2463 0.0157 -5.6329 3 24.8469 99 89503 30316 313 16 314 a-Alanine, conf. II
40247.0228 0.0157 -6.1989 3 24.8469 99 89503 30316 313 16 214 a-Alanine, conf. II
40265.1363 0.0156 -6.1986 3 24.8469 99 89503 30316 413 16 314 a-Alanine, conf. II
40265.9128 0.0156 -5.6325 3 24.8469 99 89503 30316 413 16 214 a-Alanine, conf. II
40272.3183 0.0887 -5.8872 3 51.4971135 89503 30322 715 22 616 a-Alanine, conf. II
40278.9496 0.1062 -5.8057 3 64.5252147 89503 303241114 241015 a-Alanine, conf. II
40369.6844 0.0986 -5.8439 3 55.4118135 89503 303221112 221013 a-Alanine, conf. II
40432.2826 0.3792 -5.7249 3 128.5411207 89503 303341519 341420 a-Alanine, conf. II
40485.7613 0.1020 -6.3444 3 20.5117 75 89503 3031210 2 12 9 3 a-Alanine, conf. II
40486.2572 0.1020 -6.3444 3 20.5117 75 89503 3031210 3 12 9 4 a-Alanine, conf. II
40528.3529 0.0813 -5.6855 3 44.5014123 89503 30320 912 20 713 a-Alanine, conf. II
40555.3951 0.3643 -5.7269 3 126.0782207 89503 303341321 341222 a-Alanine, conf. II
40595.3305 0.0027 -6.4452 3 3.2391 39 89503 303 6 3 4 5 2 3 a-Alanine, conf. II
40604.5519 0.0881 -5.8377 3 57.2367141 89503 30323 915 23 816 a-Alanine, conf. II
40624.6669 0.0555 -5.9858 3 29.0807 99 89503 30316 8 9 16 610 a-Alanine, conf. II
40666.7885 0.0031 -5.0674 3 5.1239 45 89503 303 7 4 3 6 4 2 a-Alanine, conf. II
40691.5147 0.1068 -6.5006 3 18.2414 69 89503 3031110 1 11 9 2 a-Alanine, conf. II
40691.5886 0.1068 -6.5006 3 18.2414 69 89503 3031110 2 11 9 3 a-Alanine, conf. II
40752.5794 0.1022 -5.3942 3 84.8617171 89503 303281018 281019 a-Alanine, conf. II
40800.6601 0.1074 -5.4029 3 61.7318147 89503 30324 816 24 817 a-Alanine, conf. II
40860.9514 0.0973 -5.8933 3 47.1100123 89503 3032011 9 201010 a-Alanine, conf. II
40871.1692 0.5303 -5.7096 3 151.5543225 89503 303371621 371522 a-Alanine, conf. II
40879.1840 0.0015 -4.9471 3 4.4287 45 89503 303 7 2 5 6 2 4 a-Alanine, conf. II
40916.0651 0.0980 -5.8605 3 51.1466129 89503 303211111 211012 a-Alanine, conf. II
41034.3643 0.0494 -5.4728 3 37.1304117 89503 30319 514 19 515 a-Alanine, conf. II
41034.5806 0.1111 -5.7794 3 69.3578153 89503 303251115 251016 a-Alanine, conf. II
41048.4496 0.1123 -5.3899 3 72.8517159 89503 30326 917 26 918 a-Alanine, conf. II
41051.8462 0.0492 -5.9890 3 37.1299117 89503 30319 514 19 415 a-Alanine, conf. II
41093.6877 0.0332 -6.3804 3 16.9083 75 89503 30312 7 6 12 5 7 a-Alanine, conf. II
41098.1311 0.0197 -5.7533 3 20.7507 93 89503 30315 213 15 214 a-Alanine, conf. II
41098.1897 0.0197 -6.3438 3 20.7507 93 89503 30315 213 15 114 a-Alanine, conf. II
41100.4305 0.0197 -6.3437 3 20.7507 93 89503 30315 313 15 214 a-Alanine, conf. II
41100.4890 0.0197 -5.7533 3 20.7507 93 89503 30315 313 15 114 a-Alanine, conf. II
41160.3349 41.4431 -5.7860 3 431.3080381 89503 303632538 632539 a-Alanine, conf. II
41167.3908 0.1036 -5.8289 3 61.7195147 89503 30324 816 24 717 a-Alanine, conf. II
41180.2105 0.1991 -5.7298 3 111.4534195 89503 303321220 321121 a-Alanine, conf. II
41191.5604389.0597 -6.6687 3 933.7405561 89503 303933756 933757 a-Alanine, conf. II
41226.7263 0.1265 -5.8056 3 65.9746147 89503 303241212 241113 a-Alanine, conf. II
41272.2669 0.0474 -5.9845 3 37.1304117 89503 30319 614 19 515 a-Alanine, conf. II
41289.7488 0.0472 -5.4679 3 37.1299117 89503 30319 614 19 415 a-Alanine, conf. II
41342.4093 0.0028 -6.6322 3 2.1334 33 89503 303 5 3 2 4 2 3 a-Alanine, conf. II
41415.2519 0.0870 -5.4232 3 57.2097141 89503 30323 915 23 716 a-Alanine, conf. II
41445.9880 0.0016 -6.0959 3 5.3340 51 89503 303 8 1 7 7 2 6 a-Alanine, conf. II
41448.8964 0.6611 -5.7003 3 176.4674243 89503 303401723 401624 a-Alanine, conf. II
41512.6926 0.6874 -5.7086 3 212.1677267 89503 303441826 441727 a-Alanine, conf. II
41570.9297 0.0016 -4.8683 3 5.3340 51 89503 303 8 2 7 7 2 6 a-Alanine, conf. II
41588.3232 0.0999 -5.8791 3 47.0831123 89503 303201110 201011 a-Alanine, conf. II
41654.4516 0.1090 -5.7389 3 97.7009183 89503 303301119 301020 a-Alanine, conf. II
41697.7595 0.1074 -5.7861 3 72.8300159 89503 30326 917 26 818 a-Alanine, conf. II
41766.1193 0.0364 -6.0044 3 16.8916 87 89503 30314 113 14 114 a-Alanine, conf. II
41766.1215 0.0364 -6.6164 3 16.8916 87 89503 30314 113 14 014 a-Alanine, conf. II
41766.3062 0.0364 -6.6163 3 16.8916 87 89503 30314 213 14 114 a-Alanine, conf. II
41766.3084 0.0364 -6.0044 3 16.8916 87 89503 30314 213 14 014 a-Alanine, conf. II
41766.5973 0.0016 -4.8632 3 5.3233 51 89503 303 8 1 7 7 1 6 a-Alanine, conf. II
41777.1455 0.0794 -5.8578 3 51.5037135 89503 30322 815 22 716 a-Alanine, conf. II
41851.7218 0.0990 -5.7568 3 84.8250171 89503 303281018 28 919 a-Alanine, conf. II
41891.5389 0.0017 -6.0844 3 5.3233 51 89503 303 8 2 7 7 1 6 a-Alanine, conf. II
41973.6148 0.0782 -5.3987 3 51.4971135 89503 30322 815 22 616 a-Alanine, conf. II
41988.5290 0.1027 -5.9076 3 43.2341117 89503 3031911 8 1910 9 a-Alanine, conf. II
41990.0651 0.0031 -4.9492 3 4.7004 45 89503 303 7 3 4 6 3 3 a-Alanine, conf. II
42241.6195 65.6342 -5.8817 3 501.8836411 89503 303682741 682742 a-Alanine, conf. II
42272.4904 0.1038 -5.9021 3 43.2238117 89503 3031911 9 191010 a-Alanine, conf. II
42298.7580288.7582 -6.4706 3 836.8989531 89503 303883553 883554 a-Alanine, conf. II
42330.6244 0.6699 -5.6944 3 203.2753261 89503 303431825 431726 a-Alanine, conf. II
42353.6433 11.0462 -5.5445 3 283.1016309 89503 303512031 512032 a-Alanine, conf. II
42417.8144 0.0311 -5.5000 3 32.3141111 89503 30318 414 18 415 a-Alanine, conf. II
42420.2662 0.0311 -6.0461 3 32.3140111 89503 30318 414 18 315 a-Alanine, conf. II
42438.8157 0.1154 -5.7470 3 74.3629159 89503 303261116 261017 a-Alanine, conf. II
42463.4483 0.0307 -6.0452 3 32.3141111 89503 30318 514 18 415 a-Alanine, conf. II
42465.9001 0.0307 -5.4991 3 32.3140111 89503 30318 514 18 315 a-Alanine, conf. II
42486.4808 0.9795 -5.3895 3 148.9323225 89503 303371423 371424 a-Alanine, conf. II
42494.0414 0.0037 -6.3085 3 5.8953 51 89503 303 8 2 6 7 3 5 a-Alanine, conf. II
42514.4279 0.1023 -5.7691 3 67.9397153 89503 303251016 25 917 a-Alanine, conf. II
42741.8135 0.0707 -5.3975 3 45.9845129 89503 30321 615 21 616 a-Alanine, conf. II
42775.0279 0.1735 -5.7414 3 82.6415165 89503 303271314 271215 a-Alanine, conf. II
42781.3400 0.0702 -5.8922 3 45.9832129 89503 30321 615 21 516 a-Alanine, conf. II
42801.3570 0.1087 -5.9333 3 39.5728111 89503 3031811 7 1810 8 a-Alanine, conf. II
42901.4561 0.1091 -5.9314 3 39.5692111 89503 3031811 8 1810 9 a-Alanine, conf. II
42915.6043 99.8235 -5.9983 3 577.7473441 89503 303732944 732945 a-Alanine, conf. II
42944.7250 0.1081 -5.4558 3 63.0927147 89503 303241015 24 816 a-Alanine, conf. II
42956.0134208.6936 -6.2929 3 745.2730501 89503 303833350 833351 a-Alanine, conf. II
42999.1784 0.0046 -6.2830 3 2.5404 33 89503 303 5 4 2 4 3 1 a-Alanine, conf. II
43104.1489 0.0034 -5.8794 3 5.9561 57 89503 303 9 0 9 8 1 8 a-Alanine, conf. II
43105.1096 0.0034 -4.7561 3 5.9561 57 89503 303 9 1 9 8 1 8 a-Alanine, conf. II
43107.2351 0.0034 -4.7560 3 5.9560 57 89503 303 9 0 9 8 0 8 a-Alanine, conf. II
43108.1958 0.0034 -5.8794 3 5.9560 57 89503 303 9 1 9 8 0 8 a-Alanine, conf. II
43159.1931146.6000 -6.1355 3 658.8829471 89503 303783147 783148 a-Alanine, conf. II
43194.9738 0.0669 -5.8843 3 45.9845129 89503 30321 715 21 616 a-Alanine, conf. II
43234.5002 0.0665 -5.3885 3 45.9832129 89503 30321 715 21 516 a-Alanine, conf. II
43314.6930 3.9526 -5.4358 3 210.7229267 89503 303441727 441728 a-Alanine, conf. II
43344.8328 0.1339 -5.7300 3 75.7785159 89503 303261215 261116 a-Alanine, conf. II
43364.5525 0.1262 -5.7905 3 61.2599141 89503 303231211 231112 a-Alanine, conf. II
43395.6778 0.0846 -5.7879 3 40.5343117 89503 30319 911 19 712 a-Alanine, conf. II
43414.7210 0.1150 -5.9694 3 36.1196105 89503 3031711 6 1710 7 a-Alanine, conf. II
43446.4586 0.1151 -5.9688 3 36.1185105 89503 3031711 7 1710 8 a-Alanine, conf. II
43447.7433 0.0183 -5.5663 3 27.7258105 89503 30317 314 17 315 a-Alanine, conf. II
43448.0007 0.0183 -6.1377 3 27.7258105 89503 30317 314 17 215 a-Alanine, conf. II
43448.1450 0.0047 -6.2798 3 2.5281 33 89503 303 5 4 1 4 3 2 a-Alanine, conf. II
43454.6329 0.0182 -6.1376 3 27.7258105 89503 30317 414 17 315 a-Alanine, conf. II
43454.8904 0.0182 -5.5662 3 27.7258105 89503 30317 414 17 215 a-Alanine, conf. II
43460.3899 0.1305 -5.7440 3 70.7266153 89503 303251214 251115 a-Alanine, conf. II
43555.2013 0.0943 -5.7842 3 61.7318147 89503 30324 916 24 817 a-Alanine, conf. II
43557.6485 0.1127 -5.5381 3 58.4208141 89503 303231014 23 815 a-Alanine, conf. II
43577.8064 1.9676 -5.6863 3 221.2059273 89503 303451827 451728 a-Alanine, conf. II
43652.5471 1.8560 -5.6777 3 201.8192261 89503 303431726 431627 a-Alanine, conf. II
43660.2925 0.5218 -5.6903 3 231.9721279 89503 303461927 461828 a-Alanine, conf. II
43759.0390 0.1374 -5.7113 3 81.0165165 89503 303271216 271117 a-Alanine, conf. II
43831.3454 0.0272 -6.6050 3 11.5345 63 89503 30310 6 4 10 4 7 a-Alanine, conf. II
43890.9835 0.2454 -5.6969 3 101.2139183 89503 303301416 301317 a-Alanine, conf. II
43891.1698 0.1075 -5.3792 3 67.8938153 89503 303251016 25 817 a-Alanine, conf. II
43893.7297 0.1214 -6.0163 3 32.8703 99 89503 3031611 5 1610 6 a-Alanine, conf. II
43902.6934 0.1214 -6.0162 3 32.8700 99 89503 3031611 6 1610 7 a-Alanine, conf. II
43921.9319 0.0934 -5.3475 3 61.7195147 89503 30324 916 24 717 a-Alanine, conf. II
43949.6095 0.1285 -5.7555 3 65.8688147 89503 303241213 241114 a-Alanine, conf. II
43968.3949 0.0031 -6.3089 3 4.4287 45 89503 303 7 3 5 6 2 4 a-Alanine, conf. II
44086.6003 0.0030 -6.3388 3 2.0419 33 89503 303 5 3 2 4 1 3 a-Alanine, conf. II
44161.6428 0.0017 -4.8473 3 5.8953 51 89503 303 8 3 6 7 3 5 a-Alanine, conf. II
44163.4580 1.7391 -5.6898 3 241.4496285 89503 303471928 471829 a-Alanine, conf. II
44204.8807 1.5421 -5.6659 3 183.2906249 89503 303411625 411526 a-Alanine, conf. II
44205.4555 0.0907 -5.3418 3 55.7352141 89503 30323 716 23 717 a-Alanine, conf. II
44258.8668 0.0250 -5.6906 3 23.3705 99 89503 30316 214 16 215 a-Alanine, conf. II
44258.8849 0.0250 -6.2842 3 23.3705 99 89503 30316 214 16 115 a-Alanine, conf. II
44259.6433 0.0250 -6.2842 3 23.3705 99 89503 30316 314 16 215 a-Alanine, conf. II
44259.6614 0.0250 -5.6906 3 23.3705 99 89503 30316 314 16 115 a-Alanine, conf. II
44274.7024 0.1277 -6.0766 3 29.8220 93 89503 3031511 4 1510 5 a-Alanine, conf. II
44276.9220 0.1277 -6.0766 3 29.8219 93 89503 3031511 5 1510 6 a-Alanine, conf. II
44287.4864 0.0898 -5.8147 3 55.7324141 89503 30323 716 23 617 a-Alanine, conf. II
44436.9106 0.5414 -5.3381 3 132.9569213 89503 303351322 351323 a-Alanine, conf. II
44439.0505 0.0516 -5.4006 3 40.6836123 89503 30320 515 20 516 a-Alanine, conf. II
44445.5694 0.0516 -5.9271 3 40.6834123 89503 30320 515 20 416 a-Alanine, conf. II
44477.7340 0.1186 -5.7090 3 79.5329165 89503 303271117 271018 a-Alanine, conf. II
44537.7216 0.0507 -5.9254 3 40.6836123 89503 30320 615 20 516 a-Alanine, conf. II
44544.2405 0.0506 -5.3987 3 40.6834123 89503 30320 615 20 416 a-Alanine, conf. II
44574.8227 0.0352 -6.5265 3 14.4991 69 89503 30311 7 5 11 5 6 a-Alanine, conf. II
44579.3223 0.1340 -6.1550 3 26.9723 87 89503 3031411 3 1410 4 a-Alanine, conf. II
44579.7927 0.1340 -6.1550 3 26.9723 87 89503 3031411 4 1410 5 a-Alanine, conf. II
44619.5443 0.3661 -5.6687 3 121.6936201 89503 303331518 331419 a-Alanine, conf. II
44626.6643 0.0537 -6.1050 3 25.8653 93 89503 30315 8 8 15 6 9 a-Alanine, conf. II
44643.9076 20.1496 -5.5863 3 340.8908339 89503 303562234 562235 a-Alanine, conf. II
44647.4949 0.1287 -5.7671 3 61.2114141 89503 303231212 231113 a-Alanine, conf. II
44809.8463 0.1400 -5.6865 3 86.4315171 89503 303281217 281118 a-Alanine, conf. II
44811.2754 0.0244 -6.4440 3 17.4656 81 89503 30313 4 9 12 6 6 a-Alanine, conf. II
44822.0828 0.1400 -6.2614 3 24.3196 81 89503 3031311 2 1310 3 a-Alanine, conf. II
44822.1650 0.1400 -6.2614 3 24.3196 81 89503 3031311 3 1310 4 a-Alanine, conf. II
44869.4508 0.1298 -5.7909 3 56.7786135 89503 303221210 221111 a-Alanine, conf. II
44909.6495 0.0439 -5.9445 3 19.2527 93 89503 30315 114 15 115 a-Alanine, conf. II
44909.6502 0.0439 -6.5579 3 19.2527 93 89503 30315 114 15 015 a-Alanine, conf. II
44909.7081 0.0439 -6.5579 3 19.2527 93 89503 30315 214 15 115 a-Alanine, conf. II
44909.7087 0.0439 -5.9445 3 19.2527 93 89503 30315 214 15 015 a-Alanine, conf. II
45013.7916 0.1457 -6.4184 3 21.8622 75 89503 3031211 1 1210 2 a-Alanine, conf. II
45013.8028 0.1457 -6.4184 3 21.8622 75 89503 3031211 2 1210 3 a-Alanine, conf. II
45016.1555 0.0850 -5.8014 3 55.7352141 89503 30323 816 23 717 a-Alanine, conf. II
45027.5550 1.1493 -5.6536 3 165.6223237 89503 303391524 391425 a-Alanine, conf. II
45048.7587 0.5643 -5.6534 3 144.0804219 89503 303361620 361521 a-Alanine, conf. II
45098.1864 0.0844 -5.3261 3 55.7324141 89503 30323 816 23 617 a-Alanine, conf. II
45193.5428 0.0083 -5.3835 3 8.7867 51 89503 303 8 7 2 7 7 1 a-Alanine, conf. II
45193.8906 0.0083 -5.3835 3 8.7867 51 89503 303 8 7 1 7 7 0 a-Alanine, conf. II
45306.5493 0.1070 -5.7213 3 72.8517159 89503 303261017 26 918 a-Alanine, conf. II
45306.6337 0.8450 -5.6481 3 168.3727237 89503 303391722 391623 a-Alanine, conf. II
45375.8793 0.1053 -5.3029 3 66.3802153 89503 30325 817 25 818 a-Alanine, conf. II
45383.9718 0.0055 -5.1070 3 7.8562 51 89503 303 8 6 3 7 6 2 a-Alanine, conf. II
45397.8520 0.0055 -5.1068 3 7.8563 51 89503 303 8 6 2 7 6 1 a-Alanine, conf. II
45415.7107 0.1314 -5.7810 3 56.7584135 89503 303221211 221112 a-Alanine, conf. II
45488.7562 0.0022 -4.8719 3 6.4402 51 89503 303 8 4 5 7 4 4 a-Alanine, conf. II
45492.0220 0.1670 -5.7129 3 77.3057159 89503 303261313 261214 a-Alanine, conf. II
45535.1111 0.1039 -5.7534 3 66.3749153 89503 30325 817 25 718 a-Alanine, conf. II
45549.5630 1.1609 -5.6500 3 194.5672255 89503 303421824 421725 a-Alanine, conf. II
45550.0863 1.0771 -5.6868 3 262.5514297 89503 303492029 491930 a-Alanine, conf. II
45583.2523 0.0018 -4.8015 3 5.7922 51 89503 303 8 2 6 7 2 5 a-Alanine, conf. II
45620.0431 0.0034 -4.9575 3 7.0762 51 89503 303 8 5 4 7 5 3 a-Alanine, conf. II
45670.1555 0.0334 -5.4352 3 35.6065117 89503 30319 415 19 416 a-Alanine, conf. II
45671.0098 0.0334 -5.9882 3 35.6064117 89503 30319 415 19 316 a-Alanine, conf. II
45673.3832 0.0349 -6.5624 3 20.7948 87 89503 30314 5 9 13 7 6 a-Alanine, conf. II
45687.6374 0.0332 -5.9879 3 35.6065117 89503 30319 515 19 416 a-Alanine, conf. II
45688.4917 0.0332 -5.4349 3 35.6064117 89503 30319 515 19 316 a-Alanine, conf. II
45755.3334 0.2652 -5.3010 3 117.8665201 89503 303331221 331222 a-Alanine, conf. II
45816.1301 0.0085 -6.4532 3 7.9575 57 89503 303 9 3 6 8 4 5 a-Alanine, conf. II
45871.5078 0.0039 -4.9526 3 7.0789 51 89503 303 8 5 3 7 5 2 a-Alanine, conf. II
45912.0471 0.7697 -5.6433 3 148.8181225 89503 303371423 371324 a-Alanine, conf. II
45945.5276 1.3934 -5.6568 3 222.6595273 89503 303451926 451827 a-Alanine, conf. II
45948.7123 0.1355 -5.8030 3 52.5191129 89503 3032112 9 211110 a-Alanine, conf. II
45955.8591 0.1095 -5.3068 3 72.8300159 89503 303261017 26 818 a-Alanine, conf. II
45967.9837 0.1195 -5.6268 3 53.8785135 89503 303221013 22 814 a-Alanine, conf. II
46160.6703 0.1362 -5.7993 3 52.5114129 89503 303211210 211111 a-Alanine, conf. II
46181.5697 0.0327 -6.5201 3 13.5803 69 89503 30311 6 5 11 4 8 a-Alanine, conf. II
46184.1195 0.0020 -5.9273 3 6.7206 57 89503 303 9 1 8 8 2 7 a-Alanine, conf. II
46190.1694 0.1094 -5.2797 3 77.9176165 89503 30327 918 27 919 a-Alanine, conf. II
46229.9871 0.0020 -4.7231 3 6.7206 57 89503 303 9 2 8 8 2 7 a-Alanine, conf. II
46297.2218 0.0732 -5.3246 3 49.9528135 89503 30322 616 22 617 a-Alanine, conf. II
46309.0611 0.0020 -4.7213 3 6.7165 57 89503 303 9 1 8 8 1 7 a-Alanine, conf. II
46312.6004 0.0730 -5.8317 3 49.9523135 89503 30322 616 22 517 a-Alanine, conf. II
46346.6965 2.6744 -5.3584 3 191.6809255 89503 303421626 421627 a-Alanine, conf. II
46354.9287 0.0020 -5.9235 3 6.7165 57 89503 303 9 2 8 8 1 7 a-Alanine, conf. II
46414.0731 8.2858 -5.4431 3 261.0032297 89503 303491930 491931 a-Alanine, conf. II
46452.6543 0.1279 -5.2788 3 103.6623189 89503 303311120 311121 a-Alanine, conf. II
46482.9342 0.1081 -5.7063 3 77.9078165 89503 30327 918 27 819 a-Alanine, conf. II
46493.6911 0.0714 -5.8285 3 49.9528135 89503 30322 716 22 617 a-Alanine, conf. II
46509.0697 0.0712 -5.3209 3 49.9523135 89503 30322 716 22 517 a-Alanine, conf. II
46526.3680 0.1419 -5.6557 3 92.0152177 89503 303291218 291119 a-Alanine, conf. II
46543.1925 0.1682 -5.6617 3 87.9262171 89503 303281316 281217 a-Alanine, conf. II
46574.7527 0.1031 -5.2717 3 90.3455177 89503 303291019 291020 a-Alanine, conf. II
46583.9508 34.4134 -5.6504 3 404.0022369 89503 303612437 612438 a-Alanine, conf. II
46631.4280 0.1705 -5.6496 3 93.5672177 89503 303291317 291218 a-Alanine, conf. II
46635.3025 0.0219 -5.5059 3 30.7584111 89503 30318 315 18 316 a-Alanine, conf. II
46635.3865 0.0219 -6.0819 3 30.7584111 89503 30318 315 18 216 a-Alanine, conf. II
46637.7544 0.0219 -6.0819 3 30.7584111 89503 30318 415 18 316 a-Alanine, conf. II
46637.8384 0.0219 -5.5059 3 30.7584111 89503 30318 415 18 216 a-Alanine, conf. II
46656.4315 1.3470 -5.6663 3 252.6439291 89503 303482028 481929 a-Alanine, conf. II
46673.6103 0.4591 -5.6378 3 132.8822213 89503 303351322 351223 a-Alanine, conf. II
46696.9153 0.1489 -5.4164 3 74.2209159 89503 303261116 26 917 a-Alanine, conf. II
46712.5073 0.1394 -5.3437 3 79.4583165 89503 303271117 27 918 a-Alanine, conf. II
46752.6213 0.0997 -5.7319 3 66.3802153 89503 30325 917 25 818 a-Alanine, conf. II
46757.5878 0.1421 -5.8244 3 48.4730123 89503 3032012 8 2011 9 a-Alanine, conf. II
46832.6665 0.1423 -5.8231 3 48.4703123 89503 3032012 9 201110 a-Alanine, conf. II
46911.8530 0.0993 -5.2770 3 66.3749153 89503 30325 917 25 718 a-Alanine, conf. II
46921.3197 0.1661 -5.6700 3 82.4761165 89503 303271315 271216 a-Alanine, conf. II
47062.2436 0.1212 -5.6671 3 84.8617171 89503 303281118 281019 a-Alanine, conf. II
47089.0804 0.1041 -5.6724 3 90.3283177 89503 303291019 29 920 a-Alanine, conf. II
47171.8920 0.2424 -5.6395 3 117.8193201 89503 303331221 331122 a-Alanine, conf. II
47212.2511 0.2277 -5.6565 3 95.2514177 89503 303291415 291316 a-Alanine, conf. II
47250.8537 0.0034 -6.1553 3 5.7922 51 89503 303 8 3 6 7 2 5 a-Alanine, conf. II
47251.5376 0.0046 -4.8329 3 6.4804 51 89503 303 8 4 4 7 4 3 a-Alanine, conf. II
47321.3329 0.1279 -5.6505 3 103.6333189 89503 303311120 311021 a-Alanine, conf. II
47323.0490 0.1727 -5.6321 3 99.3902183 89503 303301318 301219 a-Alanine, conf. II
47389.7065 0.1493 -5.8540 3 44.6347117 89503 3031912 7 1911 8 a-Alanine, conf. II
47413.9035 0.1493 -5.8536 3 44.6338117 89503 3031912 8 1911 9 a-Alanine, conf. II
47415.7616 0.0309 -5.6332 3 26.1442105 89503 30317 215 17 216 a-Alanine, conf. II
47415.7672 0.0309 -6.2296 3 26.1442105 89503 30317 215 17 116 a-Alanine, conf. II
47416.0191 0.0309 -6.2296 3 26.1442105 89503 30317 315 17 216 a-Alanine, conf. II
47416.0246 0.0309 -5.6332 3 26.1442105 89503 30317 315 17 116 a-Alanine, conf. II
47452.4325 0.1661 -5.7007 3 72.2127153 89503 303251312 251213 a-Alanine, conf. II
47471.8035 3.6842 -5.6719 3 272.6046303 89503 303502030 501931 a-Alanine, conf. II
47532.3269 0.0842 -5.8908 3 36.7234111 89503 30318 910 18 711 a-Alanine, conf. II
47538.9370 0.0372 -6.4096 3 20.0404 87 89503 30314 410 13 6 7 a-Alanine, conf. II
47565.8640 0.0104 -6.0574 3 3.0312 33 89503 303 5 5 1 4 4 0 a-Alanine, conf. II
47576.4650 0.0104 -6.0573 3 3.0309 33 89503 303 5 5 0 4 4 1 a-Alanine, conf. II
47584.5336 0.0571 -6.5340 3 22.8447 93 89503 30315 411 14 6 8 a-Alanine, conf. II
47599.0041 0.1651 -5.6767 3 77.2244159 89503 303261314 261215 a-Alanine, conf. II
47608.7835 3.7463 -5.6546 3 251.0558291 89503 303481929 481830 a-Alanine, conf. II
47719.3280 0.0045 -5.7436 3 7.3939 63 89503 30310 010 9 1 9 a-Alanine, conf. II
47719.6213 0.0045 -4.6238 3 7.3939 63 89503 30310 110 9 1 9 a-Alanine, conf. II
47720.2887 0.0045 -4.6238 3 7.3939 63 89503 30310 010 9 0 9 a-Alanine, conf. II
47720.5820 0.0045 -5.7436 3 7.3939 63 89503 30310 110 9 0 9 a-Alanine, conf. II
47762.5195 0.0548 -5.3370 3 44.3900129 89503 30321 516 21 517 a-Alanine, conf. II
47764.8947 0.0548 -5.8720 3 44.3899129 89503 30321 516 21 417 a-Alanine, conf. II
47802.0460 0.0543 -5.8713 3 44.3900129 89503 30321 616 21 517 a-Alanine, conf. II
47804.4212 0.0543 -5.3362 3 44.3899129 89503 30321 616 21 417 a-Alanine, conf. II
47823.2614 0.8534 -5.6771 3 284.5143309 89503 303512130 512031 a-Alanine, conf. II
47897.7458 0.1567 -5.8923 3 41.0005111 89503 3031812 6 1811 7 a-Alanine, conf. II
47904.7885 0.1567 -5.8921 3 41.0003111 89503 3031812 7 1811 8 a-Alanine, conf. II
47936.2643 0.0044 -6.2164 3 3.5125 39 89503 303 6 4 3 5 3 2 a-Alanine, conf. II
47971.9585 0.0928 -5.2665 3 60.1194147 89503 30324 717 24 718 a-Alanine, conf. II
47994.7410 0.0036 -4.7600 3 6.1011 51 89503 303 8 3 5 7 3 4 a-Alanine, conf. II
48005.1517 0.0924 -5.7544 3 60.1182147 89503 30324 717 24 618 a-Alanine, conf. II
48052.7643 0.0519 -5.8894 3 21.7677 99 89503 30316 115 16 116 a-Alanine, conf. II
48052.7645 0.0519 -6.5041 3 21.7677 99 89503 30316 115 16 016 a-Alanine, conf. II
48052.7824 0.0519 -6.5041 3 21.7677 99 89503 30316 215 16 116 a-Alanine, conf. II
48052.7826 0.0519 -5.8894 3 21.7677 99 89503 30316 215 16 016 a-Alanine, conf. II
48074.2018 2.9564 -5.6835 3 295.0068315 89503 303522131 522032 a-Alanine, conf. II
48139.9601 55.8068 -5.7358 3 472.4228399 89503 303662640 662641 a-Alanine, conf. II
48161.3860 0.1333 -5.2748 3 84.8250171 89503 303281118 28 919 a-Alanine, conf. II
48296.8349 3.3575 -5.6335 3 230.3611279 89503 303461828 461729 a-Alanine, conf. II
48311.9110 0.1643 -5.9405 3 37.5678105 89503 3031712 5 1711 6 a-Alanine, conf. II
48313.7404 0.1643 -5.9405 3 37.5677105 89503 3031712 6 1711 7 a-Alanine, conf. II
48314.3090 0.0033 -6.0583 3 7.3684 57 89503 303 9 2 7 8 3 6 a-Alanine, conf. II
48338.6892 0.0902 -5.7487 3 60.1194147 89503 30324 817 24 718 a-Alanine, conf. II
48371.8823 0.0899 -5.2599 3 60.1182147 89503 30324 817 24 618 a-Alanine, conf. II
48419.2362 0.1662 -5.6843 3 72.1763153 89503 303251313 251214 a-Alanine, conf. II
48424.9427 0.1112 -5.6733 3 77.9176165 89503 303271018 27 919 a-Alanine, conf. II
48500.3011 0.1602 -5.4941 3 69.1088153 89503 303251115 25 916 a-Alanine, conf. II
48507.7845 0.3271 -5.6185 3 115.1003195 89503 303321517 321418 a-Alanine, conf. II
48650.9939 0.1718 -6.0017 3 34.3345 99 89503 3031612 4 1611 5 a-Alanine, conf. II
48651.4108 0.1718 -6.0017 3 34.3344 99 89503 3031612 5 1611 6 a-Alanine, conf. II
48689.1997 0.1763 -5.6083 3 105.3861189 89503 303311319 311220 a-Alanine, conf. II
48717.7075 0.1125 -5.2387 3 77.9078165 89503 303271018 27 819 a-Alanine, conf. II
48758.9957 1.7061 -5.2942 3 173.5209243 89503 303401525 401526 a-Alanine, conf. II
48828.7175 0.0525 -6.2178 3 22.8447 87 89503 30314 8 7 14 6 8 a-Alanine, conf. II
48854.9096 0.1445 -5.6201 3 97.7605183 89503 303301219 301120 a-Alanine, conf. II
48856.7173 0.1692 -5.7013 3 67.3498147 89503 303241311 241212 a-Alanine, conf. II
48895.9680 0.0367 -5.3767 3 39.0524123 89503 30320 416 20 417 a-Alanine, conf. II
48896.2603 0.0367 -5.9356 3 39.0524123 89503 30320 416 20 317 a-Alanine, conf. II
48902.4868 0.0366 -5.9355 3 39.0524123 89503 30320 516 20 417 a-Alanine, conf. II
48902.7791 0.0366 -5.3766 3 39.0524123 89503 30320 516 20 317 a-Alanine, conf. II
48928.0246 0.1791 -6.0807 3 31.2988 93 89503 3031512 3 1511 4 a-Alanine, conf. II
48928.1059 0.1791 -6.0807 3 31.2988 93 89503 3031512 4 1511 5 a-Alanine, conf. II
49103.3922 0.0023 -4.6966 3 7.3684 57 89503 303 9 3 7 8 3 6 a-Alanine, conf. II
49124.8499366.3798 -6.4662 3 893.6135549 89503 303913655 913656 a-Alanine, conf. II
49152.9422 0.1862 -6.1877 3 28.4593 87 89503 3031412 2 1411 3 a-Alanine, conf. II
49152.9553 0.1862 -6.1877 3 28.4593 87 89503 3031412 3 1411 4 a-Alanine, conf. II
49203.7359 15.6773 -5.4745 3 316.6229327 89503 303542133 542134 a-Alanine, conf. II
49262.4257 0.1696 -5.6945 3 67.3348147 89503 303241312 241213 a-Alanine, conf. II
49278.7233 86.7300 -5.8419 3 546.1380429 89503 303712843 712844 a-Alanine, conf. II
49317.8633 2.7283 -5.6110 3 210.5227267 89503 303441727 441628 a-Alanine, conf. II
49333.8319 0.1930 -6.3453 3 25.8147 81 89503 3031312 1 1311 2 a-Alanine, conf. II
49333.8336 0.1930 -6.3453 3 25.8147 81 89503 3031312 2 1311 3 a-Alanine, conf. II
49387.2087 0.5034 -5.5963 3 136.8546213 89503 303351619 351520 a-Alanine, conf. II
49433.0823 0.1067 -5.2236 3 71.1811159 89503 30326 818 26 819 a-Alanine, conf. II
49499.9307 0.1062 -5.6919 3 71.1789159 89503 30326 818 26 719 a-Alanine, conf. II
49555.8511 1.4559 -5.6881 3 318.2641327 89503 303542232 542133 a-Alanine, conf. II
49615.1066 0.0049 -6.2141 3 3.4689 39 89503 303 6 4 2 5 3 3 a-Alanine, conf. II
49653.7284 0.2113 -5.5939 3 107.0102189 89503 303311418 311319 a-Alanine, conf. II
49705.1909 0.2171 -5.6323 3 89.5402171 89503 303281414 281315 a-Alanine, conf. II
49718.6275 0.0770 -5.2612 3 54.0740141 89503 30323 617 23 618 a-Alanine, conf. II
49724.4631 0.0769 -5.7786 3 54.0738141 89503 30323 617 23 518 a-Alanine, conf. II
49800.6585 0.0761 -5.7773 3 54.0740141 89503 30323 717 23 618 a-Alanine, conf. II
49806.4940 0.0761 -5.2598 3 54.0738141 89503 30323 717 23 518 a-Alanine, conf. II
49813.9852 0.0268 -5.4508 3 33.9448117 89503 30319 316 19 317 a-Alanine, conf. II
49814.0122 0.0268 -6.0307 3 33.9448117 89503 30319 316 19 217 a-Alanine, conf. II
49814.8395 0.0267 -6.0307 3 33.9448117 89503 30319 416 19 317 a-Alanine, conf. II
49814.8666 0.0267 -5.4508 3 33.9448117 89503 30319 416 19 217 a-Alanine, conf. II
49867.2944 0.2103 -5.6002 3 100.9687183 89503 303301417 301318 a-Alanine, conf. II
49895.8363 0.8038 -5.5875 3 160.5155231 89503 303381721 381622 a-Alanine, conf. II
49898.2037 0.1748 -5.7114 3 62.7064141 89503 303231310 231211 a-Alanine, conf. II
49907.3811266.4760 -6.2804 3 798.8891519 89503 303863452 863453 a-Alanine, conf. II
49935.0700 5.9543 -5.3546 3 239.7839285 89503 303471829 471830 a-Alanine, conf. II
49944.1431 0.0418 -6.5010 3 14.3222 69 89503 30311 7 4 11 5 7 a-Alanine, conf. II
49969.3804130.0020 -5.9682 3 625.1323459 89503 303763046 763047 a-Alanine, conf. II
49981.9104 0.0024 -4.6748 3 7.3127 57 89503 303 9 2 7 8 2 6 a-Alanine, conf. II
49985.0689 0.1232 -5.7177 3 49.4793129 89503 303211012 21 813 a-Alanine, conf. II
49991.9310 0.2138 -5.5828 3 113.2387195 89503 303321419 321320 a-Alanine, conf. II
50009.1798 0.1880 -5.3154 3 91.8991177 89503 303291218 291019 a-Alanine, conf. II
50054.8640 0.1750 -5.7088 3 62.7007141 89503 303231311 231212 a-Alanine, conf. II
50057.5645 0.1241 -5.6237 3 90.3455177 89503 303291119 291020 a-Alanine, conf. II
50082.3921 0.1048 -5.6823 3 71.1811159 89503 30326 918 26 819 a-Alanine, conf. II
50120.6775 1.2553 -5.5896 3 186.0822249 89503 303411823 411724 a-Alanine, conf. II
50149.2405 0.1046 -5.2122 3 71.1789159 89503 30326 918 26 719 a-Alanine, conf. II
50185.4845188.7928 -6.1144 3 709.3888489 89503 303813249 813250 a-Alanine, conf. II
50187.1850 1.8328 -5.6002 3 213.5524267 89503 303441925 441826 a-Alanine, conf. II
50248.1255 2.4300 -5.6170 3 242.9227285 89503 303472027 471928 a-Alanine, conf. II
50256.6272 0.0434 -6.5017 3 15.7892 75 89503 30312 6 6 12 4 9 a-Alanine, conf. II
50448.6094 2.0338 -5.5896 3 191.5441255 89503 303421626 421527 a-Alanine, conf. II
50467.5149 2.8360 -5.6380 3 274.1880303 89503 303502129 502030 a-Alanine, conf. II
50474.5575 0.2095 -5.6037 3 95.1226177 89503 303291416 291317 a-Alanine, conf. II
50511.8538 1.0174 -5.2435 3 156.2434231 89503 303381424 381425 a-Alanine, conf. II
50534.9779 0.0437 -6.3770 3 16.6011 75 89503 30312 7 5 12 5 8 a-Alanine, conf. II
50570.0756 0.0374 -5.5805 3 29.0716111 89503 30318 216 18 217 a-Alanine, conf. II
50570.0773 0.0374 -6.1792 3 29.0716111 89503 30318 216 18 117 a-Alanine, conf. II
50570.1596 0.0374 -6.1792 3 29.0716111 89503 30318 316 18 217 a-Alanine, conf. II
50570.1613 0.0374 -5.5805 3 29.0716111 89503 30318 316 18 117 a-Alanine, conf. II
50571.8921 0.1307 -5.2094 3 90.3283177 89503 303291119 29 920 a-Alanine, conf. II
50638.4041 0.1116 -5.1943 3 83.1359171 89503 30328 919 28 920 a-Alanine, conf. II
50643.3467 0.1724 -5.2501 3 97.7009183 89503 303301219 301020 a-Alanine, conf. II
50706.0173 0.1819 -5.7290 3 58.2753135 89503 3032213 9 221210 a-Alanine, conf. II
50717.3656 0.1850 -5.5790 3 111.5470195 89503 303321320 321221 a-Alanine, conf. II
50761.7308 0.1820 -5.7281 3 58.2733135 89503 303221310 221211 a-Alanine, conf. II
50765.7008 0.1116 -5.6424 3 83.1317171 89503 30328 919 28 820 a-Alanine, conf. II
50770.9936 0.0035 -5.9966 3 7.3127 57 89503 303 9 3 7 8 2 6 a-Alanine, conf. II
50820.9513 0.0122 -5.2839 3 11.3688 57 89503 303 9 8 2 8 8 1 a-Alanine, conf. II
50821.0027 0.0122 -5.2839 3 11.3688 57 89503 303 9 8 1 8 8 0 a-Alanine, conf. II
50844.2483 0.0025 -5.7825 3 8.2627 63 89503 30310 1 9 9 2 8 a-Alanine, conf. II
50860.3691 0.0025 -4.5940 3 8.2627 63 89503 30310 2 9 9 2 8 a-Alanine, conf. II
50890.1159 0.0025 -4.5934 3 8.2612 63 89503 30310 1 9 9 1 8 a-Alanine, conf. II
50906.2367 0.0025 -5.7813 3 8.2612 63 89503 30310 2 9 9 1 8 a-Alanine, conf. II
50977.0420 0.0026 -4.6987 3 7.9575 57 89503 303 9 4 6 8 4 5 a-Alanine, conf. II
50990.6778 0.2228 -5.5659 3 119.6450201 89503 303331420 331321 a-Alanine, conf. II
50998.3409 0.0086 -5.0041 3 10.2942 57 89503 303 9 7 3 8 7 2 a-Alanine, conf. II
51000.8574 0.0086 -5.0040 3 10.2942 57 89503 303 9 7 2 8 7 1 a-Alanine, conf. II
51003.6628 2.7274 -5.6613 3 307.3426321 89503 303532231 532132 a-Alanine, conf. II
51039.9667 0.0590 -5.2799 3 48.2498135 89503 30322 517 22 518 a-Alanine, conf. II
51040.8148 0.0590 -5.8220 3 48.2497135 89503 30322 517 22 418 a-Alanine, conf. II
51055.3453 0.0588 -5.8218 3 48.2498135 89503 30322 617 22 518 a-Alanine, conf. II
51056.1934 0.0588 -5.2796 3 48.2497135 89503 30322 617 22 418 a-Alanine, conf. II
51119.5105 0.2068 -5.3843 3 86.2211171 89503 303281217 281018 a-Alanine, conf. II
51195.7628 0.0602 -5.8386 3 24.4365105 89503 30317 116 17 117 a-Alanine, conf. II
51195.7629 0.0602 -6.4543 3 24.4365105 89503 30317 116 17 017 a-Alanine, conf. II
51195.7684 0.0602 -5.8386 3 24.4365105 89503 30317 216 17 017 a-Alanine, conf. II
51195.7684 0.0602 -6.4543 3 24.4365105 89503 30317 216 17 117 a-Alanine, conf. II
51234.4886 0.0564 -6.4866 3 27.3717 99 89503 30316 610 15 8 7 a-Alanine, conf. II
51258.6534 0.0057 -4.8499 3 9.3701 57 89503 303 9 6 4 8 6 3 a-Alanine, conf. II
51265.6285 6.2295 -5.6805 3 329.3319333 89503 303552233 552134 a-Alanine, conf. II
51307.7463 0.2095 -5.6066 3 89.4787171 89503 303281415 281316 a-Alanine, conf. II
51319.3420 0.0058 -4.8488 3 9.3706 57 89503 303 9 6 3 8 6 2 a-Alanine, conf. II
51355.5853 0.1899 -5.7534 3 54.0518129 89503 3032113 8 2112 9 a-Alanine, conf. II
51373.7810 0.1900 -5.7531 3 54.0512129 89503 3032113 9 211210 a-Alanine, conf. II
51428.4435 6.7583 -5.6557 3 305.6272321 89503 303532132 532033 a-Alanine, conf. II
51455.4798 0.0042 -6.1232 3 2.9841 39 89503 303 6 3 3 5 1 4 a-Alanine, conf. II
51473.0012 0.0037 -4.7508 3 8.5979 57 89503 303 9 5 5 8 5 4 a-Alanine, conf. II
51487.7860 1.3964 -5.5720 3 173.4298243 89503 303401525 401426 a-Alanine, conf. II
51504.5197 0.2140 -5.6223 3 84.0683165 89503 303271413 271314 a-Alanine, conf. II
51527.7121 0.0966 -5.2026 3 64.6561153 89503 30325 718 25 719 a-Alanine, conf. II
51532.1399 0.1118 -5.1779 3 95.9819183 89503 303301020 301021 a-Alanine, conf. II
51540.7887 0.0965 -5.7024 3 64.6557153 89503 30325 718 25 619 a-Alanine, conf. II
51592.7877 0.2948 -5.5828 3 108.7649189 89503 303311516 311417 a-Alanine, conf. II
51610.3115 0.5605 -5.2068 3 139.8495219 89503 303361323 361324 a-Alanine, conf. II
51651.0498 27.5636 -5.5284 3 377.5704357 89503 303592336 592337 a-Alanine, conf. II
51678.5132 0.1499 -5.5815 3 103.6623189 89503 303311220 311121 a-Alanine, conf. II
51686.9439 0.0955 -5.7000 3 64.6561153 89503 30325 818 25 719 a-Alanine, conf. II
51700.0205 0.0953 -5.1999 3 64.6557153 89503 30325 818 25 619 a-Alanine, conf. II
51737.5465 0.1154 -5.6268 3 83.1359171 89503 303281019 28 920 a-Alanine, conf. II
51763.5003 0.1135 -5.6047 3 95.9742183 89503 303301020 30 921 a-Alanine, conf. II
51864.8432 0.1161 -5.1754 3 83.1317171 89503 303281019 28 820 a-Alanine, conf. II
51889.7321 0.1985 -5.7849 3 50.0327123 89503 3032013 7 2012 8 a-Alanine, conf. II
51895.1572 0.1985 -5.7848 3 50.0325123 89503 3032013 8 2012 9 a-Alanine, conf. II
51927.0090 4.5247 -5.6990 3 353.8866345 89503 303572334 572235 a-Alanine, conf. II
51994.8136 1.7299 -5.6857 3 342.3800339 89503 303562333 562234 a-Alanine, conf. II
52045.0871 0.1468 -5.1743 3 109.7173195 89503 303321121 321122 a-Alanine, conf. II
52098.1119 0.2839 -5.1838 3 124.3404207 89503 303341222 341223 a-Alanine, conf. II
52105.1865 0.0413 -5.3235 3 42.6519129 89503 30321 417 21 418 a-Alanine, conf. II
52105.2850 0.0413 -5.8874 3 42.6519129 89503 30321 417 21 318 a-Alanine, conf. II
52107.5617 0.0413 -5.8873 3 42.6519129 89503 30321 517 21 418 a-Alanine, conf. II
52107.6601 0.0413 -5.3234 3 42.6519129 89503 30321 517 21 318 a-Alanine, conf. II
52155.9680 0.0480 -6.1632 3 4.7004 45 -89503 303 7 4 4 6 3 3 a-Alanine, conf. II
52158.8333 0.1690 -5.5751 3 64.1289147 89503 303241114 24 915 a-Alanine, conf. II
52176.0862 0.0054 -4.7381 3 8.6091 57 89503 303 9 5 4 8 5 3 a-Alanine, conf. II
52197.5924 0.0504 -6.2958 3 19.0537 81 89503 30313 7 6 13 5 9 a-Alanine, conf. II
52223.2645 6.4154 -5.6264 3 282.7723309 89503 303512031 511932 a-Alanine, conf. II
52224.2330 0.2113 -5.6109 3 84.0412165 89503 303271414 271315 a-Alanine, conf. II
52263.2036 0.0808 -5.9860 3 33.0946105 89503 30317 9 9 17 710 a-Alanine, conf. II
52279.0913 0.8821 -5.5604 3 156.1845231 89503 303381424 381325 a-Alanine, conf. II
52333.4070 0.0058 -5.6216 3 8.9857 69 89503 30311 011 10 110 a-Alanine, conf. II
52333.4951 0.0058 -4.5046 3 8.9857 69 89503 30311 111 10 110 a-Alanine, conf. II
52333.7002 0.0058 -4.5046 3 8.9856 69 89503 30311 011 10 010 a-Alanine, conf. II
52333.7883 0.0058 -5.6216 3 8.9856 69 89503 30311 111 10 010 a-Alanine, conf. II
52333.8334 0.2073 -5.8242 3 46.2154117 89503 3031913 6 1912 7 a-Alanine, conf. II
52335.2966 0.2073 -5.8242 3 46.2154117 89503 3031913 7 1912 8 a-Alanine, conf. II
52449.1363 0.1479 -5.5782 3 109.7038195 89503 303321121 321022 a-Alanine, conf. II
52519.1021 0.0361 -6.2696 3 23.5223 93 89503 30315 510 14 7 7 a-Alanine, conf. II
52547.1918 0.1646 -5.1875 3 103.6333189 89503 303311220 311021 a-Alanine, conf. II
52586.0276 0.0552 -6.3288 3 20.0404 81 89503 30313 8 6 13 6 7 a-Alanine, conf. II
52681.0516 0.2451 -5.5429 3 126.2202207 89503 303341421 341322 a-Alanine, conf. II
52704.3310 0.2161 -5.8733 3 42.5982111 89503 3031813 5 1812 6 a-Alanine, conf. II
52704.6835 0.2161 -5.8732 3 42.5982111 89503 3031813 6 1812 7 a-Alanine, conf. II
52723.7040 0.5102 -5.5567 3 139.8124219 89503 303361323 361224 a-Alanine, conf. II
52779.4744 0.2714 -5.5624 3 124.3176207 89503 303341222 341123 a-Alanine, conf. II
52819.6344 4.0923 -5.2789 3 219.4440273 89503 303451728 451729 a-Alanine, conf. II
52822.2291 0.2605 -5.5436 3 121.3459201 89503 303331519 331420 a-Alanine, conf. II
52823.4664 0.2628 -5.5384 3 127.9775207 89503 303341520 341421 a-Alanine, conf. II
52826.3423 0.2161 -5.6227 3 78.8231159 89503 303261412 261313 a-Alanine, conf. II
52986.5439 0.0328 -5.4002 3 37.2849123 89503 30320 317 20 318 a-Alanine, conf. II
52986.5524 0.0328 -5.9835 3 37.2849123 89503 30320 317 20 218 a-Alanine, conf. II
52986.8362 0.0328 -5.9835 3 37.2849123 89503 30320 417 20 318 a-Alanine, conf. II
52986.8447 0.0328 -5.4002 3 37.2849123 89503 30320 417 20 218 a-Alanine, conf. II
53013.0121 0.2249 -5.9349 3 39.1793105 89503 3031713 4 1712 5 a-Alanine, conf. II
53013.0866 0.2249 -5.9349 3 39.1793105 89503 3031713 5 1712 6 a-Alanine, conf. II
53064.4414 0.0820 -5.2050 3 58.3482147 89503 30324 618 24 619 a-Alanine, conf. II
53066.6081 0.0819 -5.7308 3 58.3481147 89503 30324 618 24 519 a-Alanine, conf. II
53084.6144 0.4270 -5.5502 3 129.8898207 89503 303341618 341519 a-Alanine, conf. II
53097.6346 0.0816 -5.7303 3 58.3482147 89503 30324 718 24 619 a-Alanine, conf. II
53099.8012 0.0815 -5.2045 3 58.3481147 89503 30324 718 24 519 a-Alanine, conf. II
53124.8241 0.2152 -5.6180 3 78.8121159 89503 303261413 261314 a-Alanine, conf. II
53138.8035 0.0097 -5.9835 3 3.9774 39 89503 303 6 5 2 5 4 1 a-Alanine, conf. II
53172.8720 0.1105 -5.1581 3 76.1342165 89503 30327 819 27 820 a-Alanine, conf. II
53200.1467 0.1104 -5.6402 3 76.1332165 89503 30327 819 27 720 a-Alanine, conf. II
53208.5443 0.0085 -6.1339 3 9.6579 63 89503 30310 3 7 9 4 6 a-Alanine, conf. II
53226.2672 11.7407 -5.3755 3 293.2314315 89503 303522032 522033 a-Alanine, conf. II
53233.3411 0.0097 -5.9826 3 3.9747 39 89503 303 6 5 1 5 4 2 a-Alanine, conf. II
53269.0524 0.2334 -6.0144 3 35.9573 99 89503 3031613 3 1612 4 a-Alanine, conf. II
53269.0658 0.2334 -6.0144 3 35.9573 99 89503 3031613 4 1612 5 a-Alanine, conf. II
53306.8142 0.2616 -5.5450 3 114.9063195 89503 303321518 321419 a-Alanine, conf. II
53318.6712 0.2018 -5.5456 3 117.8665201 89503 303331321 331222 a-Alanine, conf. II
53320.5769 0.1282 -5.5805 3 95.9819183 89503 303301120 301021 a-Alanine, conf. II
53421.7097 5.5303 -5.5951 3 260.7695297 89503 303491930 491831 a-Alanine, conf. II
53449.6923 0.2785 -5.5277 3 134.7918213 89503 303351521 351422 a-Alanine, conf. II
53465.6368 0.1100 -5.6361 3 76.1342165 89503 30327 919 27 820 a-Alanine, conf. II
53476.0492 0.0036 -4.6141 3 7.7020 57 89503 303 9 3 6 8 3 5 a-Alanine, conf. II
53479.9932 0.2416 -6.1217 3 32.9309 93 89503 3031513 2 1512 3 a-Alanine, conf. II
53479.9952 0.2416 -6.1217 3 32.9309 93 89503 3031513 3 1512 4 a-Alanine, conf. II
53492.9116 0.1099 -5.1532 3 76.1332165 89503 30327 919 27 720 a-Alanine, conf. II
53524.2472 0.2297 -5.2315 3 111.4534195 89503 303321320 321121 a-Alanine, conf. II
53549.1886 1.6052 -5.7102 3 379.2933357 89503 303592435 592336 a-Alanine, conf. II
53551.9374 0.1317 -5.1478 3 95.9742183 89503 303301120 30 921 a-Alanine, conf. II
53561.2143 0.0033 -5.8697 3 9.0063 63 89503 30310 2 8 9 3 7 a-Alanine, conf. II
53652.2391 0.2495 -6.2798 3 30.0989 87 89503 3031413 1 1412 2 a-Alanine, conf. II
53652.2394 0.2495 -6.2798 3 30.0989 87 89503 3031413 2 1412 3 a-Alanine, conf. II
53720.7937 45.8118 -5.6038 3 443.8331387 89503 303642539 642540 a-Alanine, conf. II
53722.6030 0.0445 -5.5319 3 32.1528117 89503 30319 217 19 218 a-Alanine, conf. II
53722.6035 0.0445 -6.1327 3 32.1528117 89503 30319 217 19 118 a-Alanine, conf. II
53722.6300 0.0445 -6.1327 3 32.1528117 89503 30319 317 19 218 a-Alanine, conf. II
53722.6305 0.0445 -5.5319 3 32.1528117 89503 30319 317 19 118 a-Alanine, conf. II
53839.2030 0.2215 -5.6308 3 73.7955153 89503 303251411 251312 a-Alanine, conf. II
53864.2985 0.2771 -5.5624 3 102.6780183 89503 303301515 301416 a-Alanine, conf. II
53876.0775 0.0063 -4.6382 3 8.0565 57 89503 303 9 4 5 8 4 4 a-Alanine, conf. II
53899.6343 0.0029 -4.5666 3 9.0063 63 89503 30310 3 8 9 3 7 a-Alanine, conf. II
53915.0586 0.2567 -5.2933 3 105.2118189 89503 303311319 311120 a-Alanine, conf. II
53954.0089 0.2212 -5.6290 3 73.7914153 89503 303251412 251313 a-Alanine, conf. II
54108.1249 0.2623 -5.5446 3 108.6665189 89503 303311517 311418 a-Alanine, conf. II
54164.3808 0.6661 -5.5327 3 152.9176225 89503 303371720 371621 a-Alanine, conf. II
54219.0734 0.2228 -5.4566 3 80.6676165 89503 303271216 271017 a-Alanine, conf. II
54289.3385 0.0645 -5.2281 3 52.2629141 89503 30323 518 23 519 a-Alanine, conf. II
54289.6360 0.0645 -5.7764 3 52.2629141 89503 30323 518 23 419 a-Alanine, conf. II
54295.1740 0.0644 -5.7763 3 52.2629141 89503 30323 618 23 519 a-Alanine, conf. II
54295.4716 0.0644 -5.2280 3 52.2629141 89503 30323 618 23 419 a-Alanine, conf. II
54338.8653 0.0688 -6.4082 3 27.2591111 89503 30318 117 18 018 a-Alanine, conf. II
54338.8653 0.0688 -5.7915 3 27.2591111 89503 30318 117 18 118 a-Alanine, conf. II
54338.8669 0.0688 -6.4082 3 27.2591111 89503 30318 217 18 118 a-Alanine, conf. II
54338.8670 0.0688 -5.7915 3 27.2591111 89503 30318 217 18 018 a-Alanine, conf. II
54350.2976 0.0030 -4.5574 3 8.9800 63 89503 30310 2 8 9 2 7 a-Alanine, conf. II
54629.0972 0.1170 -5.1257 3 88.5061177 89503 30329 920 29 921 a-Alanine, conf. II
54648.2336 0.2289 -5.6452 3 68.9795147 89503 303241410 241311 a-Alanine, conf. II
54682.7884 0.1172 -5.5900 3 88.5043177 89503 30329 920 29 821 a-Alanine, conf. II
54688.7175 0.0035 -5.8464 3 8.9800 63 89503 30310 3 8 9 2 7 a-Alanine, conf. II
54689.2000 0.2288 -5.6445 3 68.9780147 89503 303241411 241312 a-Alanine, conf. II
54735.2298 0.2198 -5.1720 3 117.8193201 89503 303331321 331122 a-Alanine, conf. II
54774.4199 0.3205 -5.5110 3 141.7796219 89503 303361522 361423 a-Alanine, conf. II
54785.2000 4.4033 -5.5641 3 239.6221285 89503 303471829 471730 a-Alanine, conf. II
54841.5246 1.0807 -5.5286 3 177.8500243 89503 303401822 401723 a-Alanine, conf. II
54851.9688 0.1594 -5.5420 3 109.7173195 89503 303321221 321122 a-Alanine, conf. II
54963.8812 0.1019 -5.1467 3 69.3455159 89503 30326 719 26 720 a-Alanine, conf. II
54968.9143 0.1018 -5.6564 3 69.3453159 89503 30326 719 26 620 a-Alanine, conf. II
54969.8059 9.6876 -5.7099 3 391.3751363 89503 303602436 602337 a-Alanine, conf. II
54993.7447 4.7510 -5.6074 3 296.6104315 89503 303522230 522131 a-Alanine, conf. II
55010.6424 0.2843 -5.5149 3 132.9569213 89503 303351422 351323 a-Alanine, conf. II
55015.8653 0.1210 -5.8025 3 45.2479123 89503 303201011 20 812 a-Alanine, conf. II
55016.8501 2.6856 -5.2162 3 199.9841261 89503 303431627 431628 a-Alanine, conf. II
55030.7296 0.1014 -5.6554 3 69.3455159 89503 30326 819 26 720 a-Alanine, conf. II
55035.7627 0.1013 -5.1457 3 69.3453159 89503 30326 819 26 620 a-Alanine, conf. II
55040.6602 5.4586 -5.6412 3 331.0419333 89503 303552332 552233 a-Alanine, conf. II
55065.9236 0.2631 -5.5443 3 102.6321183 89503 303301516 301417 a-Alanine, conf. II
55099.6956 0.0164 -6.3133 3 12.2246 69 89503 30311 4 7 10 5 6 a-Alanine, conf. II
55102.3452 3.6933 -5.5773 3 264.0708297 89503 303492128 492029 a-Alanine, conf. II
55115.3482 11.2032 -5.6786 3 365.5210351 89503 303582335 582236 a-Alanine, conf. II
55143.4248 0.1202 -5.5831 3 88.5061177 89503 303291020 29 921 a-Alanine, conf. II
55160.9293 1.7285 -5.5359 3 204.6873261 89503 303431924 431825 a-Alanine, conf. II
55197.1160 0.1206 -5.1174 3 88.5043177 89503 303291020 29 821 a-Alanine, conf. II
55207.3611 2.6226 -5.5529 3 233.4285279 89503 303462026 461927 a-Alanine, conf. II
55256.0179 0.1663 -5.1280 3 109.7038195 89503 303321221 321022 a-Alanine, conf. II
55303.0935 0.0476 -5.2747 3 46.4050135 89503 30322 418 22 419 a-Alanine, conf. II
55303.1261 0.0476 -5.8430 3 46.4050135 89503 30322 418 22 319 a-Alanine, conf. II
55303.9416 0.0476 -5.8429 3 46.4050135 89503 30322 518 22 419 a-Alanine, conf. II
55303.9743 0.0476 -5.2747 3 46.4050135 89503 30322 518 22 319 a-Alanine, conf. II
55314.0798 0.2377 -5.6653 3 64.3708141 89503 3032314 9 231310 a-Alanine, conf. II
55327.6072 0.2377 -5.6651 3 64.3703141 89503 303231410 231311 a-Alanine, conf. II
55376.4128 72.7754 -5.6997 3 515.3971417 89503 303692742 692743 a-Alanine, conf. II
55397.3390 5.3251 -5.6772 3 367.3594351 89503 303582434 582335 a-Alanine, conf. II
55438.1359 0.0635 -6.2649 3 21.6731 87 89503 30314 7 7 14 510 a-Alanine, conf. II
55473.2540 0.0410 -5.6546 3 9.9592 69 -89503 30311 110 10 2 9 a-Alanine, conf. II
55478.6795 0.0031 -4.4777 3 9.9592 69 89503 30311 210 10 2 9 a-Alanine, conf. II
55489.3205 0.0031 -4.4775 3 9.9587 69 89503 30311 110 10 1 9 a-Alanine, conf. II
55494.8300 0.0360 -5.6542 3 9.9587 69 -89503 30311 210 10 1 9 a-Alanine, conf. II
55525.8387 0.2707 -5.5538 3 96.8262177 89503 303291514 291415 a-Alanine, conf. II
55654.6680 0.0330 -6.1029 3 6.1011 51 -89503 303 8 4 5 7 3 4 a-Alanine, conf. II
55739.3698 6.2435 -5.7344 3 418.0755375 89503 303622537 622438 a-Alanine, conf. II
55818.2755 0.3192 -5.4983 3 143.6067219 89503 303361621 361522 a-Alanine, conf. II
55860.9986 0.1239 -5.1045 3 101.7700189 89503 303311021 311022 a-Alanine, conf. II
55871.8270 0.2472 -5.6912 3 59.9667135 89503 3032214 8 2213 9 a-Alanine, conf. II
55875.9406 0.2472 -5.6912 3 59.9665135 89503 3032214 9 221310 a-Alanine, conf. II
55902.8810 0.3747 -5.5194 3 123.1819201 89503 303331617 331518 a-Alanine, conf. II
55961.7379 0.1251 -5.5505 3 101.7666189 89503 303311021 31 922 a-Alanine, conf. II
55982.3254 11.1824 -5.6422 3 340.5126339 89503 303562234 562135 a-Alanine, conf. II
56056.1075 0.2651 -5.5459 3 96.8063177 89503 303291515 291416 a-Alanine, conf. II
56078.8062 0.3393 -5.4935 3 150.8266225 89503 303371622 371523 a-Alanine, conf. II
56094.3297 3.2683 -5.5359 3 219.3347273 89503 303451728 451629 a-Alanine, conf. II
56115.0119 0.0856 -6.4405 3 34.8516111 89503 30318 711 17 9 8 a-Alanine, conf. II
56128.4830 0.3199 -5.4985 3 136.5747213 89503 303351620 351521 a-Alanine, conf. II
56154.6421 0.0402 -5.3536 3 40.7788129 89503 30321 318 21 319 a-Alanine, conf. II
56154.6448 0.0402 -5.9398 3 40.7788129 89503 30321 318 21 219 a-Alanine, conf. II
56154.7405 0.0402 -5.9398 3 40.7788129 89503 30321 418 21 319 a-Alanine, conf. II
56154.7432 0.0402 -5.3536 3 40.7788129 89503 30321 418 21 219 a-Alanine, conf. II
56189.8591 21.3031 -5.4193 3 352.0123345 89503 303572235 572236 a-Alanine, conf. II
56199.3653 3.7443 -5.7142 3 405.5561369 89503 303612536 612437 a-Alanine, conf. II
56259.3467 0.0032 -4.5550 3 9.6579 63 89503 30310 4 7 9 4 6 a-Alanine, conf. II
56311.9441 0.2867 -5.3580 3 99.0903183 89503 303301318 301119 a-Alanine, conf. II
56343.0319 0.2573 -5.7236 3 55.7649129 89503 3032114 7 2113 8 a-Alanine, conf. II
56344.1756 0.2572 -5.7236 3 55.7648129 89503 3032114 8 2113 9 a-Alanine, conf. II
56356.3224 0.2269 -5.5100 3 124.3404207 89503 303341322 341223 a-Alanine, conf. II
56365.2229 0.0884 -5.1544 3 62.7755153 89503 30325 619 25 620 a-Alanine, conf. II
56366.0120 0.0883 -5.6875 3 62.7755153 89503 30325 619 25 520 a-Alanine, conf. II
56378.2995 0.0882 -5.6873 3 62.7755153 89503 30325 719 25 620 a-Alanine, conf. II
56379.0886 0.0882 -5.1542 3 62.7755153 89503 30325 719 25 520 a-Alanine, conf. II
56449.1930 0.0980 -5.1964 3 14.2826 63 -89503 30310 9 2 9 9 1 a-Alanine, conf. II
56449.1930 0.0980 -5.1964 3 14.2826 63 -89503 30310 9 1 9 9 0 a-Alanine, conf. II
56502.5176 0.0064 -6.2679 3 3.2391 39 89503 303 6 4 2 5 2 3 a-Alanine, conf. II
56524.2558 1.6798 -5.1668 3 181.4051249 89503 303411526 411527 a-Alanine, conf. II
56546.3185 0.1007 -6.3823 3 33.0946111 89503 30318 513 17 710 a-Alanine, conf. II
56573.9520 0.0530 -6.1863 3 4.5932 45 -89503 303 7 4 3 6 3 4 a-Alanine, conf. II
56581.4898111.3298 -5.8157 3 592.2473447 89503 303742945 742946 a-Alanine, conf. II
56598.4928 8.4633 -5.2891 3 270.7166303 89503 303501931 501932 a-Alanine, conf. II
56615.0800 0.2250 -4.9138 3 13.0640 63 -89503 30310 8 3 9 8 2 a-Alanine, conf. II
56615.0800 0.2250 -4.9138 3 13.0640 63 -89503 30310 8 2 9 8 1 a-Alanine, conf. II
56720.9013 0.0469 -6.1575 3 26.4802 99 89503 30316 511 15 7 8 a-Alanine, conf. II
56729.1644 0.1159 -5.1018 3 81.2394171 89503 30328 820 28 821 a-Alanine, conf. II
56729.6772 0.1343 -5.5393 3 101.7700189 89503 303311121 311022 a-Alanine, conf. II
56740.0212 0.1159 -5.5953 3 81.2390171 89503 30328 820 28 721 a-Alanine, conf. II
56742.2169 0.2675 -5.7636 3 51.7635123 89503 3032014 6 2013 7 a-Alanine, conf. II
56742.5047 0.2675 -5.7636 3 51.7635123 89503 3032014 7 2013 8 a-Alanine, conf. II
56781.9472 0.2713 -5.5536 3 91.1982171 89503 303281513 281414 a-Alanine, conf. II
56787.2907 0.3930 -5.4887 3 148.9323225 89503 303371523 371424 a-Alanine, conf. II
56820.5848 0.1672 -5.0942 3 115.9239201 89503 303331122 331123 a-Alanine, conf. II
56830.4165 0.1360 -5.0908 3 101.7666189 89503 303311121 31 922 a-Alanine, conf. II
56849.0826 0.3240 -5.4957 3 129.7395207 89503 303341619 341520 a-Alanine, conf. II
56856.4611 0.1159 -5.5936 3 81.2394171 89503 30328 920 28 821 a-Alanine, conf. II
56857.2231 0.0792 -6.0719 3 29.6737 99 89503 30316 9 8 16 7 9 a-Alanine, conf. II
56858.8600 0.2700 -4.7567 3 11.9953 63 -89503 30310 7 4 9 7 3 a-Alanine, conf. II
56867.3178 0.1158 -5.0998 3 81.2390171 89503 30328 920 28 721 a-Alanine, conf. II
56871.2620 0.0920 -4.7565 3 11.9954 63 -89503 30310 7 3 9 7 2 a-Alanine, conf. II
56873.8965 0.0522 -5.4869 3 35.3878123 89503 30320 218 20 219 a-Alanine, conf. II
56873.8966 0.0522 -6.0895 3 35.3878123 89503 30320 218 20 119 a-Alanine, conf. II
56873.9051 0.0522 -6.0895 3 35.3878123 89503 30320 318 20 219 a-Alanine, conf. II
56873.9052 0.0522 -5.4869 3 35.3878123 89503 30320 318 20 119 a-Alanine, conf. II
56939.2621 0.3063 -5.2182 3 126.0782207 89503 303341421 341222 a-Alanine, conf. II
56946.9431 0.0072 -5.5110 3 10.7313 75 89503 30312 012 11 111 a-Alanine, conf. II
56946.9692 0.0072 -4.3963 3 10.7313 75 89503 30312 112 11 111 a-Alanine, conf. II
56947.0312 0.0072 -4.3963 3 10.7313 75 89503 30312 012 11 011 a-Alanine, conf. II
56947.0573 0.0072 -5.5110 3 10.7313 75 89503 30312 112 11 011 a-Alanine, conf. II
56999.7418 0.2692 -5.5505 3 91.1902171 89503 303281514 281415 a-Alanine, conf. II
57002.0418 0.1681 -5.5210 3 115.9179201 89503 303331122 331023 a-Alanine, conf. II
57021.4471 0.4035 -5.4828 3 158.2248231 89503 303381623 381524 a-Alanine, conf. II
57037.6849 0.2312 -5.1149 3 124.3176207 89503 303341322 341123 a-Alanine, conf. II
57080.1094 0.2777 -5.8131 3 47.9611117 89503 3031914 5 1913 6 a-Alanine, conf. II
57080.1741 0.2777 -5.8131 3 47.9611117 89503 3031914 6 1913 7 a-Alanine, conf. II
57171.7518332.5708 -6.2808 3 854.3432537 89503 303893554 893555 a-Alanine, conf. II
57174.6593 2.2746 -5.5130 3 199.9121261 89503 303431627 431528 a-Alanine, conf. II
57178.5728 0.0059 -4.6517 3 11.0799 63 89503 30310 6 5 9 6 4 a-Alanine, conf. II
57235.6744 0.0638 -6.2985 3 19.8871 81 89503 30313 8 5 13 6 8 a-Alanine, conf. II
57238.0641 0.1711 -5.6525 3 59.3021141 89503 303231113 23 914 a-Alanine, conf. II
57247.3421 0.2902 -5.1620 3 132.8822213 89503 303351422 351223 a-Alanine, conf. II
57252.0600 0.2100 -4.5823 3 10.3148 63 -89503 30310 5 6 9 5 5 a-Alanine, conf. II
57301.5382164.8687 -5.9514 3 674.3672477 89503 303793148 793149 a-Alanine, conf. II
57333.2536 10.1036 -5.6030 3 316.3517327 89503 303542133 542034 a-Alanine, conf. II
57345.2857 0.0654 -6.1912 3 22.5667 87 89503 30314 8 6 14 6 9 a-Alanine, conf. II
57365.2111 0.2877 -5.8751 3 44.3562111 89503 3031814 4 1813 5 a-Alanine, conf. II
57365.2239 0.2877 -5.8751 3 44.3562111 89503 3031814 5 1813 6 a-Alanine, conf. II
57382.2521 0.9982 -5.1305 3 163.7082237 89503 303391425 391426 a-Alanine, conf. II
57385.1896 0.0066 -4.6485 3 11.0824 63 89503 30310 6 4 9 6 3 a-Alanine, conf. II
57445.8273 0.3000 -5.0948 3 130.9661213 89503 303351223 351224 a-Alanine, conf. II
57482.2444 0.0776 -6.3654 3 30.2354117 89503 30319 118 19 019 a-Alanine, conf. II
57482.2444 0.0776 -5.7478 3 30.2354117 89503 30319 118 19 119 a-Alanine, conf. II
57482.2449 0.0776 -5.7478 3 30.2354117 89503 30319 218 19 019 a-Alanine, conf. II
57482.2449 0.0776 -6.3654 3 30.2354117 89503 30319 218 19 119 a-Alanine, conf. II
57506.1835237.2369 -6.1065 3 761.7389507 89503 303843351 843352 a-Alanine, conf. II
57516.7224 0.0190 -5.8061 3 4.6178 39 89503 303 6 6 1 5 5 0 a-Alanine, conf. II
57518.2849 0.0190 -5.8061 3 4.6178 39 89503 303 6 6 0 5 5 1 a-Alanine, conf. II
57520.0539 0.0718 -5.1809 3 56.4295147 89503 30324 519 24 520 a-Alanine, conf. II
57520.1566 0.0718 -5.7345 3 56.4295147 89503 30324 519 24 420 a-Alanine, conf. II
57522.2205 0.0718 -5.7345 3 56.4295147 89503 30324 619 24 520 a-Alanine, conf. II
57522.3232 0.0718 -5.1808 3 56.4295147 89503 30324 619 24 420 a-Alanine, conf. II
57553.9490 1.3758 -5.7513 3 445.6250387 89503 303642638 642539 a-Alanine, conf. II
57585.5997 0.5424 -5.4918 3 145.5831219 89503 303361719 361620 a-Alanine, conf. II
57604.5759 0.2975 -5.9548 3 40.9476105 89503 3031714 3 1713 4 a-Alanine, conf. II
57604.5781 0.2975 -5.9548 3 40.9476105 89503 3031714 4 1713 5 a-Alanine, conf. II
57661.2616 0.5610 -5.1067 3 146.8947225 89503 303371324 371325 a-Alanine, conf. II
57761.2924 0.2937 -5.5011 3 130.9555213 89503 303351223 351124 a-Alanine, conf. II
57773.6489 0.2762 -5.5599 3 85.7863165 89503 303271512 271413 a-Alanine, conf. II
57804.2246 0.3070 -6.0625 3 37.7341 99 89503 3031614 2 1613 3 a-Alanine, conf. II
57804.2249 0.3070 -6.0625 3 37.7341 99 89503 3031614 3 1613 4 a-Alanine, conf. II
57809.7531 0.3262 -5.4921 3 123.1078201 89503 303331618 331519 a-Alanine, conf. II
57857.1516 0.2755 -5.5587 3 85.7833165 89503 303271513 271414 a-Alanine, conf. II
57862.0006 0.3372 -5.4837 3 139.8495219 89503 303361423 361324 a-Alanine, conf. II
57911.8167 1.4895 -5.4970 3 181.3588249 89503 303411526 411427 a-Alanine, conf. II
57954.3467 0.0711 -6.2153 3 29.6737105 89503 30317 512 16 7 9 a-Alanine, conf. II
57969.3912 0.3161 -6.2209 3 34.7148 93 89503 3031514 1 1513 2 a-Alanine, conf. II
57969.3913 0.3161 -6.2209 3 34.7148 93 89503 3031514 2 1513 3 a-Alanine, conf. II
57974.0847 0.3478 -5.5018 3 116.7183195 89503 303321616 321517 a-Alanine, conf. II
58192.7159 0.5329 -5.4906 3 146.8770225 89503 303371324 371225 a-Alanine, conf. II
58237.1434 0.1729 -5.5034 3 115.9239201 89503 303331222 331123 a-Alanine, conf. II
58252.4085 0.9185 -5.4893 3 163.6792237 89503 303391425 391326 a-Alanine, conf. II
58330.0478 0.1087 -5.0969 3 74.1876165 89503 30327 720 27 721 a-Alanine, conf. II
58331.9456 0.1086 -5.6149 3 74.1875165 89503 30327 720 27 621 a-Alanine, conf. II
58346.2551 0.1239 -5.0682 3 94.0280183 89503 30330 921 30 922 a-Alanine, conf. II
58357.3226 0.1084 -5.6145 3 74.1876165 89503 30327 820 27 721 a-Alanine, conf. II
58359.2204 0.1084 -5.0965 3 74.1875165 89503 30327 820 27 621 a-Alanine, conf. II
58368.1314 0.0723 -6.1146 3 25.4248 93 89503 30315 8 7 15 610 a-Alanine, conf. II
58368.3159 0.1240 -5.5456 3 94.0273183 89503 30330 921 30 822 a-Alanine, conf. II
58369.4563 0.0034 -4.4993 3 9.4858 63 89503 30310 3 7 9 3 6 a-Alanine, conf. II
58418.6004 0.1757 -5.0722 3 115.9179201 89503 303331222 331023 a-Alanine, conf. II
58464.7965 0.0037 -5.7186 3 10.8042 69 89503 30311 2 9 10 3 8 a-Alanine, conf. II
58492.7569 0.0559 -5.2298 3 50.3118141 89503 30323 419 23 420 a-Alanine, conf. II
58492.7676 0.0559 -5.8019 3 50.3118141 89503 30323 419 23 320 a-Alanine, conf. II
58493.0544 0.0559 -5.8019 3 50.3118141 89503 30323 519 23 420 a-Alanine, conf. II
58493.0651 0.0559 -5.2298 3 50.3118141 89503 30323 519 23 320 a-Alanine, conf. II
58528.5140 0.0480 -5.9242 3 5.1239 45 -89503 303 7 5 3 6 4 2 a-Alanine, conf. II
58554.0157 0.3574 -5.2764 3 119.3927201 89503 303331420 331221 a-Alanine, conf. II
58577.6156 0.1259 -5.5426 3 94.0280183 89503 303301021 30 922 a-Alanine, conf. II
58585.5628 0.2838 -5.5714 3 80.5852159 89503 303261511 261412 a-Alanine, conf. II
58599.6764 0.1261 -5.0647 3 94.0273183 89503 303301021 30 822 a-Alanine, conf. II
58599.9417 13.9659 -5.7585 3 458.7199393 89503 303652639 652540 a-Alanine, conf. II
58600.1734 0.0036 -4.4515 3 10.8042 69 89503 30311 3 9 10 3 8 a-Alanine, conf. II
58615.4453 0.2836 -5.5710 3 80.5841159 89503 303261512 261413 a-Alanine, conf. II
58636.9612 0.0055 -6.0204 3 7.7020 57 89503 303 9 4 6 8 3 5 a-Alanine, conf. II
58677.2333 17.3237 -5.7216 3 430.7237381 89503 303632538 632439 a-Alanine, conf. II
58680.0810 0.5185 -5.4663 3 165.7922237 89503 303391624 391525 a-Alanine, conf. II
58791.3707 36.3351 -5.4847 3 416.1144375 89503 303622438 622439 a-Alanine, conf. II
58800.7800 0.1950 -4.5556 3 10.3495 63 -89503 30310 5 5 9 5 4 a-Alanine, conf. II
58803.2300 0.0990 -4.4479 3 10.7929 69 -89503 30311 2 9 10 2 8 a-Alanine, conf. II
58864.3792 0.3272 -5.4893 3 116.6844195 89503 303321617 321518 a-Alanine, conf. II
58882.9354 0.8457 -5.4782 3 169.8840237 89503 303391821 391722 a-Alanine, conf. II
58883.9337 0.4023 -5.4628 3 167.7495237 89503 303391723 391624 a-Alanine, conf. II
58914.0564 8.4423 -5.5634 3 293.0416315 89503 303522032 521933 a-Alanine, conf. II
58938.5933 0.0038 -5.7101 3 10.7929 69 89503 30311 3 9 10 2 8 a-Alanine, conf. II
58971.2264 0.3851 -5.4625 3 160.1268231 89503 303381722 381623 a-Alanine, conf. II
58975.3931 0.3221 -5.1075 3 139.8124219 89503 303361423 361224 a-Alanine, conf. II
58984.0580 0.0390 -5.9210 3 5.1114 45 -89503 303 7 5 2 6 4 3 a-Alanine, conf. II
59090.8195 0.2312 -5.5278 3 75.2533159 89503 303261215 261016 a-Alanine, conf. II
59256.1099 5.8769 -5.2154 3 249.0793291 89503 303481830 481831 a-Alanine, conf. II
59266.5839 0.2932 -5.5878 3 75.5914153 89503 303251510 251411 a-Alanine, conf. II
59276.5432 0.2931 -5.5877 3 75.5911153 89503 303251511 251412 a-Alanine, conf. II
59319.3915 0.0492 -5.3104 3 44.4264135 89503 30322 319 22 320 a-Alanine, conf. II
59319.3923 0.0492 -5.8993 3 44.4264135 89503 30322 319 22 220 a-Alanine, conf. II
59319.4241 0.0492 -5.8993 3 44.4264135 89503 30322 419 22 320 a-Alanine, conf. II
59319.4250 0.0492 -5.3104 3 44.4264135 89503 30322 419 22 220 a-Alanine, conf. II
59400.3366 0.4874 -5.4622 3 156.2434231 89503 303381524 381425 a-Alanine, conf. II
59440.4188 0.4846 -5.4580 3 175.5558243 89503 303401724 401625 a-Alanine, conf. II
59484.4074 0.0558 -6.1621 3 30.4818105 89503 30317 611 16 8 8 a-Alanine, conf. II
59522.1193 0.3371 -5.4940 3 110.4858189 89503 303311615 311516 a-Alanine, conf. II
59534.4526 7.6328 -5.7882 3 487.5589405 89503 303672740 672641 a-Alanine, conf. II
59560.4786 0.3927 -5.4583 3 152.6971225 89503 303371721 371622 a-Alanine, conf. II
59574.5088 18.1534 -5.6789 3 403.5689369 89503 303612437 612338 a-Alanine, conf. II
59636.9835 0.0966 -5.1085 3 67.3560159 89503 30326 620 26 621 a-Alanine, conf. II
59637.2660 0.0966 -5.6478 3 67.3560159 89503 30326 620 26 521 a-Alanine, conf. II
59642.0165 0.0965 -5.6477 3 67.3560159 89503 30326 720 26 621 a-Alanine, conf. II
59642.2990 0.0965 -5.1084 3 67.3560159 89503 30326 720 26 521 a-Alanine, conf. II
59682.5270 0.2577 -5.4743 3 130.9661213 89503 303351323 351224 a-Alanine, conf. II
59692.4312 9.9469 -5.6642 3 393.2087363 89503 303602535 602436 a-Alanine, conf. II
59748.0727 0.0076 -5.8871 3 11.5345 69 89503 30311 3 8 10 4 7 a-Alanine, conf. II
59779.7781 1.3751 -5.4776 3 196.0866255 89503 303421923 421824 a-Alanine, conf. II
59794.4911 0.1364 -5.0448 3 107.7093195 89503 303321022 321023 a-Alanine, conf. II
59813.6952 8.7152 -5.6186 3 355.6186345 89503 303572433 572334 a-Alanine, conf. II
59837.1549 0.1370 -5.5057 3 107.7079195 89503 303321022 32 923 a-Alanine, conf. II
59845.7446 0.3037 -5.6092 3 70.8023147 89503 3032415 9 241410 a-Alanine, conf. II
59848.8235 0.3037 -5.6092 3 70.8022147 89503 303241510 241411 a-Alanine, conf. II
59865.4550 9.9139 -5.7120 3 432.6809381 89503 303632637 632538 a-Alanine, conf. II
59909.3483 0.3289 -5.4886 3 110.4713189 89503 303311616 311517 a-Alanine, conf. II
59997.9921 0.2572 -5.0606 3 130.9555213 89503 303351323 351124 a-Alanine, conf. II
60024.3687 0.0608 -5.4452 3 38.7766129 89503 30321 219 21 220 a-Alanine, conf. II
60024.3688 0.0608 -6.0494 3 38.7766129 89503 30321 219 21 120 a-Alanine, conf. II
60024.3714 0.0608 -6.0494 3 38.7766129 89503 30321 319 21 220 a-Alanine, conf. II
60024.3715 0.0608 -5.4452 3 38.7766129 89503 30321 319 21 120 a-Alanine, conf. II
60069.0333 15.8986 -5.3227 3 327.3282333 89503 303552134 552135 a-Alanine, conf. II
60079.6495 6.9215 -5.5766 3 319.9171327 89503 303542331 542232 a-Alanine, conf. II
60090.7064 0.0039 -5.5398 3 11.8098 75 89503 30312 111 11 210 a-Alanine, conf. II
60092.5203 0.0039 -4.3719 3 11.8098 75 89503 30312 211 11 210 a-Alanine, conf. II
60096.1862 0.0039 -4.3719 3 11.8096 75 89503 30312 111 11 110 a-Alanine, conf. II
60098.0000 0.0039 -5.5397 3 11.8096 75 89503 30312 211 11 110 a-Alanine, conf. II
60142.3730 0.4673 -5.4651 3 138.5020213 89503 303351718 351619 a-Alanine, conf. II
60178.9107 0.1227 -5.0523 3 86.4970177 89503 30329 821 29 822 a-Alanine, conf. II
60183.1393 0.1227 -5.5553 3 86.4968177 89503 30329 821 29 722 a-Alanine, conf. II
60194.7942 0.0074 -4.4801 3 9.8536 63 89503 30310 4 6 9 4 5 a-Alanine, conf. II
60198.5402 0.1421 -5.5007 3 107.7093195 89503 303321122 321023 a-Alanine, conf. II
60212.8570 0.3673 -5.1567 3 148.8181225 89503 303371523 371324 a-Alanine, conf. II
60232.6019 0.1227 -5.5546 3 86.4970177 89503 30329 921 29 822 a-Alanine, conf. II
60236.8305 0.1227 -5.0515 3 86.4968177 89503 30329 921 29 722 a-Alanine, conf. II
60241.2040 0.1429 -5.0388 3 107.7079195 89503 303321122 32 923 a-Alanine, conf. II
60285.8607 2.2243 -5.4886 3 224.1920273 89503 303452025 451926 a-Alanine, conf. II
60291.3132 0.1161 -5.8754 3 41.2127117 89503 303191010 19 811 a-Alanine, conf. II
60337.1516 5.0680 -5.5398 3 286.1095309 89503 303512229 512130 a-Alanine, conf. II
60341.5709 0.3149 -5.6360 3 66.2159141 89503 3032315 8 2314 9 a-Alanine, conf. II
60342.4487 0.3149 -5.6360 3 66.2159141 89503 3032315 9 231410 a-Alanine, conf. II
60444.5979 3.4580 -5.5099 3 254.2002291 89503 303482127 482028 a-Alanine, conf. II
60465.6226 7.7468 -5.7609 3 474.0285399 89503 303662739 662640 a-Alanine, conf. II
60480.2700 0.4005 -5.4521 3 145.4686219 89503 303361720 361621 a-Alanine, conf. II
60485.7415 6.6042 -5.5260 3 270.5870303 89503 303501931 501832 a-Alanine, conf. II
60604.2902 0.0071 -6.0517 3 4.0795 45 89503 303 7 3 4 6 1 5 a-Alanine, conf. II
60626.0424 0.0866 -6.3255 3 33.3656123 89503 30320 119 20 020 a-Alanine, conf. II
60626.0424 0.0866 -5.7072 3 33.3656123 89503 30320 119 20 120 a-Alanine, conf. II
60626.0425 0.0866 -5.7072 3 33.3656123 89503 30320 219 20 020 a-Alanine, conf. II
60626.0425 0.0866 -6.3255 3 33.3656123 89503 30320 219 20 120 a-Alanine, conf. II
60710.9647 0.0829 -6.1581 3 26.4802 93 89503 30315 9 7 15 7 8 a-Alanine, conf. II
60717.3831 0.6481 -5.4472 3 183.5358249 89503 303411725 411626 a-Alanine, conf. II
60726.7822 0.3357 -5.4931 3 104.4747183 89503 303301614 301515 a-Alanine, conf. II
60737.4000 0.0814 -5.1376 3 60.7495153 89503 30325 520 25 521 a-Alanine, conf. II
60737.4350 0.0814 -5.6959 3 60.7495153 89503 30325 520 25 421 a-Alanine, conf. II
60737.8795 0.3069 -5.4233 3 93.0966177 89503 303291317 291118 a-Alanine, conf. II
60738.1891 0.0814 -5.6959 3 60.7495153 89503 30325 620 25 521 a-Alanine, conf. II
60738.2241 0.0814 -5.1375 3 60.7495153 89503 30325 620 25 421 a-Alanine, conf. II
60757.3123 0.0845 -6.2906 3 24.4536 93 89503 30315 7 8 15 511 a-Alanine, conf. II
60767.0068 0.3264 -5.6689 3 61.8304135 89503 3032215 7 2214 8 a-Alanine, conf. II
60767.2358 0.3264 -5.6689 3 61.8303135 89503 3032215 8 2214 9 a-Alanine, conf. II
60797.1925 0.0864 -6.0759 3 28.4538 99 89503 30316 8 8 16 611 a-Alanine, conf. II
60884.5460 0.3326 -5.4909 3 104.4689183 89503 303301615 301516 a-Alanine, conf. II
60993.2928 59.0350 -5.5707 3 485.5244405 89503 303672641 672642 a-Alanine, conf. II
61004.4235 0.6698 -5.4449 3 173.5209243 89503 303401625 401526 a-Alanine, conf. II
61026.1090 0.4225 -5.2095 3 141.5711219 89503 303361522 361323 a-Alanine, conf. II
61044.4675 0.1873 -5.0309 3 122.2814207 89503 303341123 341124 a-Alanine, conf. II
61047.1839 17.1007 -5.6327 3 377.2569357 89503 303592336 592237 a-Alanine, conf. II
61086.8279 0.3971 -5.4512 3 146.8947225 89503 303371424 371325 a-Alanine, conf. II
61123.5902 0.1878 -5.4750 3 122.2788207 89503 303341123 341024 a-Alanine, conf. II
61131.8697 0.3381 -5.7093 3 57.6443129 89503 3032115 6 2114 7 a-Alanine, conf. II
61131.9237 0.3381 -5.7093 3 57.6443129 89503 3032115 7 2114 8 a-Alanine, conf. II
61167.5741 0.4202 -5.1051 3 156.1845231 89503 303381524 381325 a-Alanine, conf. II
61187.1264 3.9379 -5.1546 3 228.3201279 89503 303461729 461730 a-Alanine, conf. II
61331.2580 0.0680 -4.4327 3 11.5345 69 -89503 30311 4 8 10 4 7 a-Alanine, conf. II
61420.2587 0.0065 -5.9127 3 9.4858 63 89503 30310 4 7 9 3 6 a-Alanine, conf. II
61444.0635 0.3497 -5.7591 3 53.6562123 89503 3032015 5 2014 6 a-Alanine, conf. II
61444.0749 0.3497 -5.7591 3 53.6562123 89503 3032015 6 2014 7 a-Alanine, conf. II
61508.1322 0.0067 -5.9490 3 4.4287 45 89503 303 7 4 3 6 2 4 a-Alanine, conf. II
61560.0747 0.0088 -5.4100 3 12.6309 81 89503 30313 013 12 112 a-Alanine, conf. II
61560.0823 0.0088 -4.2972 3 12.6309 81 89503 30313 113 12 112 a-Alanine, conf. II
61560.1008 0.0088 -4.2972 3 12.6309 81 89503 30313 013 12 012 a-Alanine, conf. II
61560.1085 0.0088 -5.4100 3 12.6309 81 89503 30313 113 12 012 a-Alanine, conf. II
61567.6626 0.4033 -5.4458 3 138.4469213 89503 303351719 351620 a-Alanine, conf. II
61599.5624 2.7314 -5.8101 3 517.2443417 89503 303692841 692742 a-Alanine, conf. II
61618.2822 0.3813 -5.0551 3 146.8770225 89503 303371424 371225 a-Alanine, conf. II
61652.4591 0.1172 -5.0520 3 79.1825171 89503 30328 721 28 722 a-Alanine, conf. II
61653.1618 0.1172 -5.5771 3 79.1825171 89503 30328 721 28 622 a-Alanine, conf. II
61663.3158 0.1171 -5.5770 3 79.1825171 89503 30328 821 28 722 a-Alanine, conf. II
61664.0185 0.1171 -5.0518 3 79.1825171 89503 30328 821 28 622 a-Alanine, conf. II
61676.1423 0.0667 -5.1884 3 54.3722147 89503 30324 420 24 421 a-Alanine, conf. II
61676.1458 0.0667 -5.7639 3 54.3722147 89503 30324 420 24 321 a-Alanine, conf. II
61676.2450 0.0667 -5.7639 3 54.3722147 89503 30324 520 24 421 a-Alanine, conf. II
61676.2485 0.0667 -5.1884 3 54.3722147 89503 30324 520 24 321 a-Alanine, conf. II
61703.1731 0.3398 -5.4975 3 98.6783177 89503 303291613 291514 a-Alanine, conf. II
61710.2029 0.3612 -5.8212 3 49.8651117 89503 3031915 4 1914 5 a-Alanine, conf. II
61710.2050 0.3612 -5.8212 3 49.8651117 89503 3031915 5 1914 6 a-Alanine, conf. II
61725.8299 0.1892 -5.4668 3 122.2814207 89503 303341223 341124 a-Alanine, conf. II
61763.4986 0.3387 -5.4967 3 98.6761177 89503 303291614 291515 a-Alanine, conf. II
61804.9527 0.1902 -5.0209 3 122.2788207 89503 303341223 341024 a-Alanine, conf. II
61853.3615 4.8795 -5.4930 3 248.9926291 89503 303481830 481731 a-Alanine, conf. II
61864.4953 0.4689 -5.4357 3 185.5611249 89503 303411824 411725 a-Alanine, conf. II
61904.0355 0.1315 -5.0186 3 99.7017189 89503 30331 922 31 923 a-Alanine, conf. II
61912.8943 0.1316 -5.5066 3 99.7014189 89503 30331 922 31 823 a-Alanine, conf. II
61935.9607 0.3724 -5.9012 3 46.2697111 89503 3031815 3 1814 4 a-Alanine, conf. II
61935.9610 0.3724 -5.9012 3 46.2697111 89503 3031815 4 1814 5 a-Alanine, conf. II
61997.6163 0.6715 -5.4422 3 162.1798231 89503 303381820 381721 a-Alanine, conf. II
62004.7747 0.1327 -5.5054 3 99.7017189 89503 303311022 31 923 a-Alanine, conf. II
62013.6336 0.1328 -5.0171 3 99.7014189 89503 303311022 31 823 a-Alanine, conf. II
62042.0833 0.4300 -5.4496 3 131.6605207 89503 303341717 341618 a-Alanine, conf. II
62043.1074 0.5558 -5.4361 3 193.7726255 89503 303421825 421726 a-Alanine, conf. II
62055.6571 0.3191 -5.0262 3 137.7424219 89503 303361224 361225 a-Alanine, conf. II
62077.8540 0.0236 -5.1187 3 17.5281 69 89503 3031110 2 1010 1 a-Alanine, conf. II
62077.8550 0.0236 -5.1187 3 17.5281 69 89503 3031110 1 1010 0 a-Alanine, conf. II
62126.2839 0.3832 -6.0090 3 42.8691105 89503 3031715 2 1714 3 a-Alanine, conf. II
62126.2840 0.3832 -6.0090 3 42.8691105 89503 3031715 3 1714 4 a-Alanine, conf. II
62127.4672 25.1836 -5.7831 3 501.2203411 89503 303682741 682642 a-Alanine, conf. II
62178.2256 18.6575 -5.8250 3 531.3509423 89503 303702842 702743 a-Alanine, conf. II
62197.1783 0.3159 -5.4527 3 137.7377219 89503 303361224 361125 a-Alanine, conf. II
62234.3183 0.0179 -4.8339 3 16.1655 69 89503 30311 9 3 10 9 2 a-Alanine, conf. II
62234.3856 0.0179 -4.8339 3 16.1655 69 89503 30311 9 2 10 9 1 a-Alanine, conf. II
62272.3908 0.4659 -5.4307 3 177.5385243 89503 303401823 401724 a-Alanine, conf. II
62285.5396 0.3936 -6.1677 3 39.6623 99 89503 3031615 1 1614 2 a-Alanine, conf. II
62285.5396 0.3936 -6.1677 3 39.6623 99 89503 3031615 2 1614 3 a-Alanine, conf. II
62335.9677 0.4064 -5.3361 3 112.8270195 89503 303321419 321220 a-Alanine, conf. II
62427.0381 2.5512 -5.1064 3 208.4403267 89503 303441628 441629 a-Alanine, conf. II
62457.1862 0.0129 -4.6745 3 14.9525 69 89503 30311 8 4 10 8 3 a-Alanine, conf. II
62459.6198 0.0129 -4.6745 3 14.9525 69 89503 30311 8 3 10 8 2 a-Alanine, conf. II
62475.3464 0.5910 -5.4334 3 163.7082237 89503 303391525 391426 a-Alanine, conf. II
62481.5948 0.0604 -5.2705 3 48.2276141 89503 30323 320 23 321 a-Alanine, conf. II
62481.5950 0.0604 -5.8617 3 48.2276141 89503 30323 320 23 221 a-Alanine, conf. II
62481.6055 0.0604 -5.8617 3 48.2276141 89503 30323 420 23 321 a-Alanine, conf. II
62481.6057 0.0604 -5.2705 3 48.2276141 89503 30323 420 23 221 a-Alanine, conf. II
62519.0996 0.3474 -5.5065 3 93.0923171 89503 303281612 281513 a-Alanine, conf. II
62540.7420 0.3470 -5.5062 3 93.0915171 89503 303281613 281514 a-Alanine, conf. II
62695.0280 0.4033 -5.4409 3 131.6357207 89503 303341718 341619 a-Alanine, conf. II
62707.5682 0.8718 -5.4310 3 191.6809255 89503 303421726 421627 a-Alanine, conf. II
62756.2293 92.1791 -5.6768 3 560.2275435 89503 303722844 722845 a-Alanine, conf. II
62774.1819 0.5647 -5.0309 3 154.0905231 89503 303381325 381326 a-Alanine, conf. II
62776.8510 0.1250 -4.5666 3 13.8919 69 -89503 30311 7 5 10 7 4 a-Alanine, conf. II
62798.8751 0.0040 -4.4020 3 11.4328 69 89503 30311 3 8 10 3 7 a-Alanine, conf. II
62826.1033 14.8699 -5.5854 3 351.7909345 89503 303572235 572136 a-Alanine, conf. II
62827.0260 0.0900 -4.5659 3 13.8925 69 -89503 30311 7 4 10 7 3 a-Alanine, conf. II
62884.3199 3.4300 -5.4663 3 228.2635279 89503 303461729 461630 a-Alanine, conf. II
62885.5290 0.0049 -4.4413 3 12.2246 69 89503 30311 5 7 10 5 6 a-Alanine, conf. II
62888.4887 0.1071 -5.0665 3 72.0898165 89503 30327 621 27 622 a-Alanine, conf. II
62888.5883 0.1071 -5.6113 3 72.0898165 89503 30327 621 27 522 a-Alanine, conf. II
62890.3865 0.1071 -5.6112 3 72.0898165 89503 30327 721 27 622 a-Alanine, conf. II
62890.4861 0.1071 -5.0665 3 72.0898165 89503 30327 721 27 522 a-Alanine, conf. II
62922.9057 0.7662 -5.4310 3 202.1631261 89503 303431826 431727 a-Alanine, conf. II
62991.8501 0.1668 -5.7186 3 54.6572135 89503 303221112 22 913 a-Alanine, conf. II
63004.4272 27.7755 -5.7349 3 471.9269399 89503 303662640 662541 a-Alanine, conf. II
63019.3735 0.5498 -5.4388 3 154.0824231 89503 303381325 381226 a-Alanine, conf. II
63045.9151 1.5994 -5.0703 3 189.4411255 89503 303421527 421528 a-Alanine, conf. II
63103.8977 0.4837 -5.4228 3 169.7137237 89503 303391822 391723 a-Alanine, conf. II
63109.0590 0.1160 -4.4887 3 12.9871 69 -89503 30311 6 6 10 6 5 a-Alanine, conf. II
63131.0480 0.0620 -5.7443 3 5.7504 45 -89503 303 7 6 2 6 5 1 a-Alanine, conf. II
63131.5757 0.9686 -5.0454 3 171.3240243 89503 303401426 401427 a-Alanine, conf. II
63148.2800 0.0630 -5.7441 3 5.7499 45 -89503 303 7 6 1 6 5 2 a-Alanine, conf. II
63169.0496 0.2910 -5.4399 3 137.7424219 89503 303361324 361225 a-Alanine, conf. II
63174.3427 0.0708 -6.0120 3 42.3191135 89503 30322 220 22 121 a-Alanine, conf. II
63174.3427 0.0708 -5.4063 3 42.3191135 89503 30322 220 22 221 a-Alanine, conf. II
63174.3435 0.0708 -5.4063 3 42.3191135 89503 30322 320 22 121 a-Alanine, conf. II
63174.3435 0.0708 -6.0120 3 42.3191135 89503 30322 320 22 221 a-Alanine, conf. II
63196.1226 0.0044 -5.5906 3 12.7589 75 89503 30312 210 11 3 9 a-Alanine, conf. II
63199.5130 27.8735 -5.3781 3 389.2670363 89503 303602337 602338 a-Alanine, conf. II
63208.3099 11.4772 -5.2386 3 303.5188321 89503 303532033 532034 a-Alanine, conf. II
63214.2338 0.3572 -5.5197 3 87.7134165 89503 303271611 271512 a-Alanine, conf. II
63221.5042 0.3571 -5.5196 3 87.7132165 89503 303271612 271513 a-Alanine, conf. II
63247.5840 0.0044 -4.3477 3 12.7589 75 89503 30312 310 11 3 9 a-Alanine, conf. II
63310.5708 0.2897 -5.0102 3 137.7377219 89503 303361324 361125 a-Alanine, conf. II
63331.4995 0.0044 -4.3464 3 12.7544 75 89503 30312 210 11 2 9 a-Alanine, conf. II
63342.2329 7.7943 -5.8591 3 562.3209435 89503 303722943 722844 a-Alanine, conf. II
63345.5029 0.5347 -5.0550 3 163.6792237 89503 303391525 391326 a-Alanine, conf. II
63352.5597 0.0175 -6.0125 3 14.3222 75 89503 30312 4 8 11 5 7 a-Alanine, conf. II
63382.9609 0.0044 -5.5876 3 12.7544 75 89503 30312 310 11 2 9 a-Alanine, conf. II
63481.7740 0.0530 -5.8827 3 6.4804 51 -89503 303 8 5 4 7 4 3 a-Alanine, conf. II
63493.7074 0.1483 -4.9943 3 113.7999201 89503 303331023 331024 a-Alanine, conf. II
63498.7874 0.4142 -5.4420 3 125.0467201 89503 303331716 331617 a-Alanine, conf. II
63506.0773 1.0363 -5.4324 3 187.7540249 89503 303411922 411823 a-Alanine, conf. II
63511.3444 0.1487 -5.4673 3 113.7994201 89503 303331023 33 924 a-Alanine, conf. II
63511.5822 2.3073 -5.4470 3 208.4041267 89503 303441628 441529 a-Alanine, conf. II
63542.6484 0.0909 -6.2601 3 23.5223 87 89503 30314 9 6 14 7 7 a-Alanine, conf. II
63544.4285 0.9247 -5.4332 3 171.3102243 89503 303401426 401327 a-Alanine, conf. II
63563.7848 0.1310 -5.0081 3 91.9070183 89503 30330 822 30 823 a-Alanine, conf. II
63565.4002 0.1310 -5.5192 3 91.9070183 89503 30330 822 30 723 a-Alanine, conf. II
63585.8456 0.1310 -5.5189 3 91.9070183 89503 30330 922 30 823 a-Alanine, conf. II
63587.4611 0.1310 -5.0077 3 91.9070183 89503 30330 922 30 723 a-Alanine, conf. II
63675.1644 0.1513 -5.4652 3 113.7999201 89503 303331123 331024 a-Alanine, conf. II
63681.4260 0.1050 -4.4804 3 12.9966 69 -89503 30311 6 5 10 6 4 a-Alanine, conf. II
63692.8014 0.1516 -4.9918 3 113.7994201 89503 303331123 33 924 a-Alanine, conf. II
63723.2108 1.4905 -5.4359 3 189.4185255 89503 303421527 421428 a-Alanine, conf. II
63733.2138 0.4982 -5.1071 3 173.4298243 89503 303401625 401426 a-Alanine, conf. II
63770.3795 0.0961 -6.2884 3 36.6494129 89503 30321 120 21 021 a-Alanine, conf. II
63770.3795 0.0961 -5.6693 3 36.6494129 89503 30321 120 21 121 a-Alanine, conf. II
63770.3795 0.0961 -5.6693 3 36.6494129 89503 30321 220 21 021 a-Alanine, conf. II
63770.3795 0.0961 -6.2884 3 36.6494129 89503 30321 220 21 121 a-Alanine, conf. II
63773.1754 0.4739 -5.1555 3 165.6223237 89503 303391624 391425 a-Alanine, conf. II
63779.3581 0.4037 -5.4383 3 125.0362201 89503 303331717 331618 a-Alanine, conf. II
63809.9385 0.0284 -6.2058 3 17.3935 81 89503 30313 5 8 12 6 7 a-Alanine, conf. II
63812.8766 0.3685 -5.5372 3 82.5394159 89503 303261610 261511 a-Alanine, conf. II
63815.1558 0.3685 -5.5372 3 82.5393159 89503 303261611 261512 a-Alanine, conf. II
63877.2706 0.8358 -5.4200 3 181.4051249 89503 303411626 411527 a-Alanine, conf. II
63944.6225 0.0938 -5.0977 3 65.2230159 89503 30326 521 26 522 a-Alanine, conf. II
63944.6343 0.0938 -5.6601 3 65.2230159 89503 30326 521 26 422 a-Alanine, conf. II
63944.9050 0.0938 -5.6601 3 65.2230159 89503 30326 621 26 522 a-Alanine, conf. II
63944.9168 0.0938 -5.0977 3 65.2230159 89503 30326 621 26 422 a-Alanine, conf. II
64023.4242 0.5269 -5.2638 3 134.4391213 89503 303351521 351322 a-Alanine, conf. II
64040.3236139.1736 -5.8023 3 640.2078465 89503 303773047 773048 a-Alanine, conf. II
64186.4103 0.4944 -5.4138 3 162.0939231 89503 303381821 381722 a-Alanine, conf. II
64280.8266 0.0932 -6.0357 3 29.4307 99 89503 30316 9 7 16 710 a-Alanine, conf. II
64318.4193 0.5732 -5.4189 3 154.7244225 89503 303371819 371720 a-Alanine, conf. II
64331.1343 0.3808 -5.5593 3 77.5683153 89503 3032516 9 251510 a-Alanine, conf. II
64331.7979 0.3808 -5.5593 3 77.5683153 89503 303251610 251511 a-Alanine, conf. II
64382.0970 0.0068 -5.7880 3 11.4328 69 89503 30311 4 8 10 3 7 a-Alanine, conf. II
64439.2836 17.6144 -5.7643 3 503.2926411 89503 303682840 682741 a-Alanine, conf. II
64452.2049 17.2663 -5.7055 3 460.6746393 89503 303652738 652639 a-Alanine, conf. II
64541.4194 0.4576 -5.4192 3 154.0905231 89503 303381425 381326 a-Alanine, conf. II
64541.5439 1.0756 -5.4201 3 210.7229267 89503 303441827 441728 a-Alanine, conf. II
64560.4493 27.2388 -5.6824 3 443.4715387 89503 303642539 642440 a-Alanine, conf. II
64595.6652 0.0925 -6.1294 3 26.3521 93 89503 30315 9 6 15 7 9 a-Alanine, conf. II
64639.5677 1.6718 -5.4347 3 215.2265267 89503 303442024 441925 a-Alanine, conf. II
64651.4893 12.1131 -5.5396 3 327.1754333 89503 303552134 552035 a-Alanine, conf. II
64655.6331406.4363 -6.2932 3 911.6308555 89503 303923656 923657 a-Alanine, conf. II
64663.5873 0.4103 -5.4402 3 118.6521195 89503 303321715 321616 a-Alanine, conf. II
64704.3047 0.0048 -5.4357 3 13.8143 81 89503 30313 112 12 211 a-Alanine, conf. II
64704.8922 0.0048 -4.2750 3 13.8143 81 89503 30313 212 12 211 a-Alanine, conf. II
64706.1186 0.0048 -4.2750 3 13.8142 81 89503 30313 112 12 111 a-Alanine, conf. II
64706.7061 0.0048 -5.4357 3 13.8142 81 89503 30313 212 12 111 a-Alanine, conf. II
64720.9131 0.0995 -5.9645 3 32.6927105 89503 30317 9 8 17 711 a-Alanine, conf. II
64735.8982 15.1372 -5.6489 3 419.9348375 89503 303622636 622537 a-Alanine, conf. II
64777.1170 0.4063 -5.4387 3 118.6479195 89503 303321716 321617 a-Alanine, conf. II
64780.6414 0.3936 -5.5866 3 72.7986147 89503 3032416 8 2415 9 a-Alanine, conf. II
64780.8196 0.3936 -5.5866 3 72.7986147 89503 3032416 9 241510 a-Alanine, conf. II
64786.6110 0.4467 -5.0058 3 154.0824231 89503 303381425 381226 a-Alanine, conf. II
64791.2360 0.0390 -6.2021 3 5.8953 51 -89503 303 8 4 4 7 3 5 a-Alanine, conf. II
64807.0782204.0645 -5.9470 3 725.4478495 89503 303823250 823251 a-Alanine, conf. II
64824.3283 0.1504 -6.2755 3 45.2479129 89503 30321 615 20 812 a-Alanine, conf. II
64827.0105 15.0040 -5.8245 3 547.7818429 89503 303712942 712843 a-Alanine, conf. II
64834.4254 0.6145 -5.4172 3 212.8758267 89503 303441926 441827 a-Alanine, conf. II
64854.6218 0.0806 -5.1501 3 58.5862153 89503 30325 421 25 422 a-Alanine, conf. II
64854.6229 0.0806 -5.7286 3 58.5862153 89503 30325 421 25 322 a-Alanine, conf. II
64854.6568 0.0806 -5.7286 3 58.5862153 89503 30325 521 25 422 a-Alanine, conf. II
64854.6579 0.0806 -5.1501 3 58.5862153 89503 30325 521 25 322 a-Alanine, conf. II
64930.8310 0.2065 -4.9787 3 128.7897213 89503 303351124 351125 a-Alanine, conf. II
64945.2838 0.1280 -5.0111 3 84.3305177 89503 30329 722 29 723 a-Alanine, conf. II
64945.5397 0.1280 -5.5425 3 84.3305177 89503 30329 722 29 623 a-Alanine, conf. II
64949.5124 0.1280 -5.5425 3 84.3305177 89503 30329 822 29 723 a-Alanine, conf. II
64949.7683 0.1280 -5.0110 3 84.3305177 89503 30329 822 29 623 a-Alanine, conf. II
64964.4633 0.2067 -5.4365 3 128.7886213 89503 303351124 351025 a-Alanine, conf. II
65014.0255 0.5481 -5.4119 3 204.2620261 89503 303431925 431826 a-Alanine, conf. II
65021.5260 0.0320 -5.8770 3 6.4402 51 -89503 303 8 5 3 7 4 4 a-Alanine, conf. II
65021.6472291.4750 -6.1107 3 815.9288525 89503 303873453 873454 a-Alanine, conf. II
65077.6751 0.1144 -5.9403 3 37.3985111 89503 3031810 9 18 810 a-Alanine, conf. II
65085.0265 0.2308 -5.5899 3 70.0053153 89503 303251214 251015 a-Alanine, conf. II
65146.1344 12.1909 -5.5959 3 381.0795357 89503 303592534 592435 a-Alanine, conf. II
65170.4279 0.4068 -5.6199 3 68.2287141 89503 3032316 7 2315 8 a-Alanine, conf. II
65170.4718 0.4068 -5.6199 3 68.2287141 89503 3032316 8 2315 9 a-Alanine, conf. II
65176.2186 0.1097 -6.0840 3 31.6469105 89503 30317 8 9 17 612 a-Alanine, conf. II
65246.2960 0.2067 -5.4329 3 128.7897213 89503 303351224 351125 a-Alanine, conf. II
65264.8315 0.6893 -5.0595 3 181.3588249 89503 303411626 411427 a-Alanine, conf. II
65279.9284 0.2071 -4.9744 3 128.7886213 89503 303351224 351025 a-Alanine, conf. II
65282.2688 0.0599 -5.9831 3 33.8209111 89503 30318 612 17 8 9 a-Alanine, conf. II
65300.8875 0.0959 -6.2444 3 23.4640 87 89503 30314 9 5 14 7 8 a-Alanine, conf. II
65314.4213 0.8568 -5.4174 3 221.6739273 89503 303451927 451828 a-Alanine, conf. II
65324.8083 1.1227 -5.4105 3 199.9841261 89503 303431727 431628 a-Alanine, conf. II
65366.5706 0.1400 -4.9747 3 105.5275195 89503 30332 923 32 924 a-Alanine, conf. II
65370.0563 0.1401 -5.4719 3 105.5274195 89503 30332 923 32 824 a-Alanine, conf. II
65371.0973 0.4958 -5.4054 3 154.6839225 89503 303371820 371721 a-Alanine, conf. II
65383.9235 2.7077 -5.4485 3 244.5988285 89503 303472126 472027 a-Alanine, conf. II
65409.2345 0.1406 -5.4714 3 105.5275195 89503 303321023 32 924 a-Alanine, conf. II
65412.7202 0.1406 -4.9741 3 105.5274195 89503 303321023 32 824 a-Alanine, conf. II
65483.3353 0.0066 -5.7016 3 13.5803 75 89503 30312 3 9 11 4 8 a-Alanine, conf. II
65486.7602 34.5054 -5.8620 3 576.9944441 89503 303732944 732845 a-Alanine, conf. II
65507.8649 0.4200 -5.6605 3 63.8573135 89503 3032216 6 2215 7 a-Alanine, conf. II
65507.8747 0.4200 -5.6605 3 63.8573135 89503 3032216 7 2215 8 a-Alanine, conf. II
65536.8403 9.1365 -5.5479 3 344.1143339 89503 303562432 562333 a-Alanine, conf. II
65583.6793 8.0390 -5.1672 3 280.5847309 89503 303511932 511933 a-Alanine, conf. II
65601.8070 0.0113 -4.3956 3 12.3108 69 89503 30311 5 6 10 5 5 a-Alanine, conf. II
65629.1111 0.4133 -5.4429 3 112.4713189 89503 303311714 311615 a-Alanine, conf. II
65641.8640 0.0743 -5.2334 3 52.1826147 89503 30324 321 24 322 a-Alanine, conf. II
65641.8641 0.0743 -5.8267 3 52.1826147 89503 30324 321 24 222 a-Alanine, conf. II
65641.8675 0.0743 -5.8267 3 52.1826147 89503 30324 421 24 322 a-Alanine, conf. II
65641.8676 0.0743 -5.2334 3 52.1826147 89503 30324 421 24 222 a-Alanine, conf. II
65653.9595 0.0852 -6.1022 3 38.3443117 89503 30319 712 18 9 9 a-Alanine, conf. II
65672.4250 0.4118 -5.4423 3 112.4697189 89503 303311715 311616 a-Alanine, conf. II
65708.2386 0.5707 -5.4029 3 195.8422255 89503 303421924 421825 a-Alanine, conf. II
65721.6437 8.1683 -5.8852 3 594.1347447 89503 303743044 742945 a-Alanine, conf. II
65734.7912 22.8567 -5.9080 3 609.2511453 89503 303753045 752946 a-Alanine, conf. II
65748.4667 4.2672 -5.4728 3 275.8715303 89503 303502228 502129 a-Alanine, conf. II
65774.0414 6.4231 -5.5063 3 309.0439321 89503 303532330 532231 a-Alanine, conf. II
65799.1687 0.4332 -5.7103 3 59.6834129 89503 3032116 5 2115 6 a-Alanine, conf. II
65799.1707 0.4332 -5.7103 3 59.6834129 89503 3032116 6 2115 7 a-Alanine, conf. II
65860.3659 0.6929 -5.4039 3 171.3240243 89503 303401526 401427 a-Alanine, conf. II
65909.9300 0.6453 -5.2049 3 157.9283231 89503 303381623 381424 a-Alanine, conf. II
65953.7936 46.3527 -5.4543 3 456.5199393 89503 303652540 652541 a-Alanine, conf. II
65984.0270 0.1130 -4.3554 3 11.8615 69 -89503 30311 4 7 10 4 6 a-Alanine, conf. II
66049.6953 0.4461 -5.7726 3 55.7058123 89503 3032016 4 2015 5 a-Alanine, conf. II
66049.6957 0.4461 -5.7726 3 55.7058123 89503 3032016 5 2015 6 a-Alanine, conf. II
66076.3325 0.5248 -5.4047 3 147.5039219 89503 303361818 361719 a-Alanine, conf. II
66124.9089 0.1207 -5.0279 3 76.9768171 89503 30328 622 28 623 a-Alanine, conf. II
66124.9435 0.1207 -5.5776 3 76.9768171 89503 30328 622 28 523 a-Alanine, conf. II
66125.6115 0.1207 -5.5776 3 76.9768171 89503 30328 722 28 623 a-Alanine, conf. II
66125.6462 0.1207 -5.0279 3 76.9768171 89503 30328 722 28 523 a-Alanine, conf. II
66172.8108 0.0104 -5.3172 3 14.6843 87 89503 30314 014 13 113 a-Alanine, conf. II
66172.8131 0.0104 -4.2060 3 14.6843 87 89503 30314 114 13 113 a-Alanine, conf. II
66172.8185 0.0104 -4.2060 3 14.6843 87 89503 30314 014 13 013 a-Alanine, conf. II
66172.8207 0.0104 -5.3172 3 14.6843 87 89503 30314 114 13 013 a-Alanine, conf. II
66191.0607 0.3415 -4.9714 3 144.6691225 89503 303371225 371226 a-Alanine, conf. II
66221.4586 0.0048 -4.3261 3 13.5803 75 89503 30312 4 9 11 4 8 a-Alanine, conf. II
66252.8597 0.3400 -5.4135 3 144.6670225 89503 303371225 371126 a-Alanine, conf. II
66264.1295 0.4587 -5.8527 3 51.9235117 89503 3031916 3 1915 4 a-Alanine, conf. II
66264.1295 0.4587 -5.8527 3 51.9235117 89503 3031916 4 1915 5 a-Alanine, conf. II
66273.2187 0.6567 -5.0071 3 171.3102243 89503 303401526 401327 a-Alanine, conf. II
66282.6795 40.3242 -5.8089 3 545.5708429 89503 303712843 712744 a-Alanine, conf. II
66305.4188 9.3430 -5.4975 3 303.4154321 89503 303532033 531934 a-Alanine, conf. II
66322.3956 0.8139 -5.4008 3 179.6793243 89503 303401921 401822 a-Alanine, conf. II
66324.0793 0.0827 -5.9772 3 46.0153141 89503 30323 221 23 122 a-Alanine, conf. II
66324.0793 0.0827 -5.3702 3 46.0153141 89503 30323 221 23 222 a-Alanine, conf. II
66324.0795 0.0827 -5.3702 3 46.0153141 89503 30323 321 23 122 a-Alanine, conf. II
66324.0795 0.0827 -5.9772 3 46.0153141 89503 30323 321 23 222 a-Alanine, conf. II
66383.9318 0.1129 -5.9216 3 36.1300111 89503 30318 9 9 18 712 a-Alanine, conf. II
66446.6162 0.4709 -5.9606 3 48.3357111 89503 3031816 2 1815 3 a-Alanine, conf. II
66446.6162 0.4709 -5.9606 3 48.3357111 89503 3031816 3 1815 4 a-Alanine, conf. II
66449.7418 0.4205 -5.4495 3 106.5003183 89503 303301713 301614 a-Alanine, conf. II
66465.3152 0.4200 -5.4493 3 106.4998183 89503 303301714 301615 a-Alanine, conf. II
66512.5593 24.5519 -5.6281 3 415.8569375 89503 303622438 622339 a-Alanine, conf. II
66534.8081 1.2583 -5.4119 3 230.6463279 89503 303461928 461829 a-Alanine, conf. II
66550.9898 0.4931 -5.3987 3 147.4860219 89503 303361819 361720 a-Alanine, conf. II
66600.8570 0.4827 -6.1195 3 44.9414105 89503 3031716 1 1715 2 a-Alanine, conf. II
66600.8570 0.4827 -6.1195 3 44.9414105 89503 3031716 2 1715 3 a-Alanine, conf. II
66714.7208 0.3132 -5.4825 3 87.2534171 89503 303281316 281117 a-Alanine, conf. II
66722.5151 0.3243 -5.4076 3 144.6691225 89503 303371325 371226 a-Alanine, conf. II
66743.3287 0.5987 -5.3920 3 187.6247249 89503 303411923 411824 a-Alanine, conf. II
66784.3140 0.3232 -4.9641 3 144.6670225 89503 303371325 371126 a-Alanine, conf. II
66809.4811 0.5537 -5.1128 3 191.5441255 89503 303421726 421527 a-Alanine, conf. II
66846.0746 20.7244 -5.2840 3 363.2912351 89503 303582236 582237 a-Alanine, conf. II
66851.8896 1.4361 -5.4043 3 219.4440273 89503 303451828 451729 a-Alanine, conf. II
66906.2326 0.1412 -4.9681 3 97.4697189 89503 30331 823 31 824 a-Alanine, conf. II
66906.8391 0.1412 -5.4863 3 97.4697189 89503 30331 823 31 724 a-Alanine, conf. II
66915.0914 0.1413 -5.4862 3 97.4697189 89503 30331 923 31 824 a-Alanine, conf. II
66915.3602 0.1066 -6.2536 3 40.0870135 89503 30322 121 22 022 a-Alanine, conf. II
66915.3602 0.1066 -5.6338 3 40.0870135 89503 30322 121 22 122 a-Alanine, conf. II
66915.3602 0.1066 -5.6338 3 40.0870135 89503 30322 221 22 022 a-Alanine, conf. II
66915.3602 0.1066 -6.2536 3 40.0870135 89503 30322 221 22 122 a-Alanine, conf. II
66915.6980 0.1413 -4.9679 3 97.4697189 89503 30331 923 31 724 a-Alanine, conf. II
67054.1250 0.1598 -4.9504 3 120.0421207 89503 303341024 341025 a-Alanine, conf. II
67061.2617 0.1599 -5.4336 3 120.0418207 89503 303341024 34 925 a-Alanine, conf. II
67066.5573 0.0049 -4.3115 3 13.5275 75 89503 30312 3 9 11 3 8 a-Alanine, conf. II
67133.2478 0.1612 -5.4327 3 120.0421207 89503 303341124 341025 a-Alanine, conf. II
67140.3845 0.1613 -4.9493 3 120.0418207 89503 303341124 34 925 a-Alanine, conf. II
67143.9004 0.1098 -5.0608 3 69.8501165 89503 30327 522 27 523 a-Alanine, conf. II
67143.9043 0.1098 -5.6270 3 69.8501165 89503 30327 522 27 423 a-Alanine, conf. II
67144.0000 0.1098 -5.6270 3 69.8501165 89503 30327 622 27 523 a-Alanine, conf. II
67144.0039 0.1098 -5.0608 3 69.8501165 89503 30327 622 27 423 a-Alanine, conf. II
67147.8280 0.9987 -5.3935 3 189.4411255 89503 303421627 421528 a-Alanine, conf. II
67157.9624 0.4305 -5.4598 3 100.7365177 89503 303291712 291613 a-Alanine, conf. II
67163.2300 0.4303 -5.4598 3 100.7363177 89503 303291713 291614 a-Alanine, conf. II
67200.3203 5.3409 -5.9459 3 642.3439465 89503 303773146 773047 a-Alanine, conf. II
67223.7062 5.4856 -5.1081 3 258.5271297 89503 303491831 491832 a-Alanine, conf. II
67240.5290 0.5799 -4.9720 3 161.4363237 89503 303391326 391327 a-Alanine, conf. II
67350.4544 0.5723 -5.3980 3 161.4326237 89503 303391326 391227 a-Alanine, conf. II
67460.5414 0.5033 -5.3970 3 140.5082213 89503 303351817 351718 a-Alanine, conf. II
67463.0283 0.0317 -5.5976 3 6.5364 45 89503 303 7 7 1 6 6 0 a-Alanine, conf. II
67463.2449 0.0317 -5.5976 3 6.5364 45 89503 303 7 7 0 6 6 1 a-Alanine, conf. II
67482.6175 0.7982 -5.0681 3 199.9121261 89503 303431727 431528 a-Alanine, conf. II
67623.3090 0.1162 -6.0886 3 41.2127123 89503 30320 614 19 811 a-Alanine, conf. II
67634.0015 6.8860 -5.4610 3 280.5163309 89503 303511932 511833 a-Alanine, conf. II
67662.4129 0.4910 -5.3945 3 140.5006213 89503 303351818 351719 a-Alanine, conf. II
67703.2438 0.0081 -5.8563 3 8.0565 57 89503 303 9 5 5 8 4 4 a-Alanine, conf. II
67706.7432 0.0314 -5.0492 3 21.1052 75 89503 3031211 2 1111 1 a-Alanine, conf. II
67706.7434 0.0314 -5.0492 3 21.1052 75 89503 3031211 1 1111 0 a-Alanine, conf. II
67774.3657 0.4425 -5.4740 3 95.1777171 89503 303281711 281612 a-Alanine, conf. II
67776.0370 0.4424 -5.4740 3 95.1776171 89503 303281712 281613 a-Alanine, conf. II
67804.6806 0.0066 -5.6608 3 13.5275 75 89503 30312 4 9 11 3 8 a-Alanine, conf. II
67812.5859 0.6708 -5.4010 3 232.8657279 89503 303462027 461928 a-Alanine, conf. II
67825.1237 0.9043 -5.0134 3 189.4185255 89503 303421627 421428 a-Alanine, conf. II
67851.0640 0.0052 -5.4782 3 14.8686 81 89503 30313 211 12 310 a-Alanine, conf. II
67856.0844 0.0244 -4.7625 3 19.5987 75 89503 3031210 3 1110 2 a-Alanine, conf. II
67856.0946 0.0244 -4.7625 3 19.5987 75 89503 3031210 2 1110 1 a-Alanine, conf. II
67869.8730 0.0051 -4.2529 3 14.8686 81 89503 30313 311 12 310 a-Alanine, conf. II
67874.0982 41.2203 -5.7509 3 514.9802417 89503 303692742 692643 a-Alanine, conf. II
67880.4858 0.0090 -5.7365 3 5.7922 51 89503 303 8 4 4 7 2 5 a-Alanine, conf. II
67902.5254 0.0051 -4.2524 3 14.8669 81 89503 30313 211 12 210 a-Alanine, conf. II
67902.9111 0.9081 -5.4062 3 242.0686285 89503 303472028 471929 a-Alanine, conf. II
67921.3344 0.0051 -5.4772 3 14.8669 81 89503 30313 311 12 210 a-Alanine, conf. II
67954.2003 0.6090 -5.3807 3 179.6157243 89503 303401922 401823 a-Alanine, conf. II
67984.2605 0.0817 -5.9697 3 37.3985117 89503 30319 613 18 810 a-Alanine, conf. II
68021.6871 1.2360 -5.3947 3 206.5273261 89503 303432023 431924 a-Alanine, conf. II
68029.2159 0.0982 -5.1146 3 62.9538159 89503 30326 422 26 423 a-Alanine, conf. II
68029.2163 0.0982 -5.6959 3 62.9538159 89503 30326 422 26 323 a-Alanine, conf. II
68029.2277 0.0982 -5.6959 3 62.9538159 89503 30326 522 26 423 a-Alanine, conf. II
68029.2280 0.0982 -5.1146 3 62.9538159 89503 30326 522 26 323 a-Alanine, conf. II
68033.3566 0.9579 -4.9807 3 179.0895249 89503 303411427 411428 a-Alanine, conf. II
68036.0826 0.4305 -5.3923 3 106.3970189 89503 303311418 311219 a-Alanine, conf. II
68061.4158 0.0182 -4.6012 3 18.2414 75 89503 30312 9 4 11 9 3 a-Alanine, conf. II
68061.8481 0.0182 -4.6012 3 18.2414 75 89503 30312 9 3 11 9 2 a-Alanine, conf. II
68070.3979 0.7229 -5.1580 3 183.2906249 89503 303411725 411526 a-Alanine, conf. II
68110.6854 0.5153 -5.3886 3 161.4363237 89503 303391426 391327 a-Alanine, conf. II
68196.7993 3.6608 -5.0608 3 237.3473285 89503 303471730 471731 a-Alanine, conf. II
68216.6076 0.1418 -4.9737 3 89.6315183 89503 30330 723 30 724 a-Alanine, conf. II
68216.6995 0.1418 -5.5107 3 89.6315183 89503 30330 723 30 624 a-Alanine, conf. II
68218.2231 0.1418 -5.5107 3 89.6315183 89503 30330 823 30 724 a-Alanine, conf. II
68218.3149 0.1418 -4.9737 3 89.6315183 89503 30330 823 30 624 a-Alanine, conf. II
68220.6109 0.5089 -4.9603 3 161.4326237 89503 303391426 391227 a-Alanine, conf. II
68223.3194 0.9348 -5.3897 3 179.0831249 89503 303411427 411328 a-Alanine, conf. II
68292.1707 73.8889 -5.5506 3 529.0729423 89503 303702743 702744 a-Alanine, conf. II
68313.1103 0.4557 -5.4921 3 89.8220165 89503 303271710 271611 a-Alanine, conf. II
68313.6057 0.4557 -5.4921 3 89.8220165 89503 303271711 271612 a-Alanine, conf. II
68318.4720 0.0057 -4.3214 3 14.3222 75 89503 30312 5 8 11 5 7 a-Alanine, conf. II
68321.1589 0.6572 -5.3915 3 223.8526273 89503 303452026 451927 a-Alanine, conf. II
68353.5945 0.0131 -4.4913 3 17.0358 75 89503 30312 8 5 11 8 4 a-Alanine, conf. II
68364.5090 0.0132 -4.4912 3 17.0359 75 89503 30312 8 4 11 8 3 a-Alanine, conf. II
68430.2084 1.3724 -5.3874 3 208.4403267 89503 303441728 441629 a-Alanine, conf. II
68441.0815 0.6934 -5.3799 3 171.8481237 89503 303391920 391821 a-Alanine, conf. II
68492.5236 1.7520 -5.4010 3 239.7839285 89503 303471929 471830 a-Alanine, conf. II
68509.4399 1.5338 -4.9980 3 197.6269261 89503 303431528 431529 a-Alanine, conf. II
68553.6289 4.8897 -5.4315 3 258.4828297 89503 303491831 491732 a-Alanine, conf. II
68579.4954 20.7004 -5.5746 3 389.0875363 89503 303602337 602238 a-Alanine, conf. II
68593.4828 2.3945 -5.0244 3 217.0467273 89503 303451629 451630 a-Alanine, conf. II
68594.5871 0.4963 -5.3941 3 133.7300207 89503 303341816 341717 a-Alanine, conf. II
68603.2846 0.1609 -5.7723 3 50.2231129 89503 303211111 21 912 a-Alanine, conf. II
68616.5915 0.2245 -4.9342 3 135.4489219 89503 303361125 361126 a-Alanine, conf. II
68630.5700 0.2246 -5.4034 3 135.4484219 89503 303361125 361026 a-Alanine, conf. II
68675.7943 0.4917 -5.3931 3 133.7270207 89503 303341817 341718 a-Alanine, conf. II
68685.5230 0.0570 -5.6910 3 7.0789 51 -89503 303 8 6 3 7 5 2 a-Alanine, conf. II
68710.8654 1.3938 -5.4059 3 251.4510291 89503 303482029 481930 a-Alanine, conf. II
68744.7908 0.0095 -4.4098 3 15.9859 75 89503 30312 7 6 11 7 5 a-Alanine, conf. II
68758.1126 0.2242 -5.4019 3 135.4489219 89503 303361225 361126 a-Alanine, conf. II
68768.7414 0.1496 -4.9353 3 111.5055201 89503 30333 924 33 925 a-Alanine, conf. II
68770.0881 0.1496 -5.4405 3 111.5054201 89503 30333 924 33 825 a-Alanine, conf. II
68772.0912 0.2244 -4.9324 3 135.4484219 89503 303361225 361026 a-Alanine, conf. II
68784.7336 0.4698 -5.5147 3 84.6680159 89503 3032617 9 261610 a-Alanine, conf. II
68784.7889 44.4490 -5.9571 3 658.0281471 89503 303783147 783048 a-Alanine, conf. II
68784.8701 0.4698 -5.5147 3 84.6680159 89503 303261710 261611 a-Alanine, conf. II
68785.6630 0.0690 -5.6902 3 7.0762 51 -89503 303 8 6 2 7 5 3 a-Alanine, conf. II
68786.3783 0.1498 -5.4403 3 111.5055201 89503 303331024 33 925 a-Alanine, conf. II
68787.7250 0.1499 -4.9351 3 111.5054201 89503 303331024 33 825 a-Alanine, conf. II
68800.6830 0.0918 -5.1989 3 56.2912153 89503 30325 322 25 323 a-Alanine, conf. II
68800.6831 0.0918 -5.7941 3 56.2912153 89503 30325 322 25 223 a-Alanine, conf. II
68800.6841 0.0918 -5.7941 3 56.2912153 89503 30325 422 25 323 a-Alanine, conf. II
68800.6842 0.0918 -5.1989 3 56.2912153 89503 30325 422 25 223 a-Alanine, conf. II
68829.2611 1.4746 -5.3888 3 197.6162261 89503 303431528 431429 a-Alanine, conf. II
68879.0427 0.1196 -6.0096 3 33.8209105 89503 3031710 8 17 8 9 a-Alanine, conf. II
68909.3068 0.0103 -4.4076 3 15.9881 75 89503 30312 7 5 11 7 4 a-Alanine, conf. II
68991.7686 0.0074 -4.3505 3 15.0922 75 89503 30312 6 7 11 6 6 a-Alanine, conf. II
69041.8744 3.3674 -5.4095 3 237.3191285 89503 303471730 471631 a-Alanine, conf. II
69119.1975 2.2579 -5.3953 3 217.0292273 89503 303451629 451530 a-Alanine, conf. II
69153.2457 29.9803 -5.8330 3 579.1788441 89503 303733043 732944 a-Alanine, conf. II
69197.5791 0.4844 -5.5422 3 79.7142153 89503 3032517 8 2516 9 a-Alanine, conf. II
69197.6138 0.4844 -5.5422 3 79.7142153 89503 3032517 9 251610 a-Alanine, conf. II
69207.3335 0.6020 -5.3168 3 127.4309207 89503 303341520 341321 a-Alanine, conf. II
69210.6318 0.6060 -5.3705 3 171.8186237 89503 303391921 391822 a-Alanine, conf. II
69262.9353 0.7101 -5.3792 3 215.0384267 89503 303442025 441926 a-Alanine, conf. II
69308.8069 24.9298 -6.0066 3 692.4021483 89503 303803248 803149 a-Alanine, conf. II
69316.6214 0.0058 -5.3405 3 15.9726 87 89503 30314 113 13 212 a-Alanine, conf. II
69316.8083 0.0058 -4.1858 3 15.9726 87 89503 30314 213 13 212 a-Alanine, conf. II
69317.2089 0.0058 -4.1858 3 15.9726 87 89503 30314 113 13 112 a-Alanine, conf. II
69317.3958 0.0058 -5.3405 3 15.9726 87 89503 30314 213 13 112 a-Alanine, conf. II
69321.6465 27.3333 -5.9039 3 626.7991459 89503 303763145 763046 a-Alanine, conf. II
69349.5726 0.1381 -4.9925 3 82.0172177 89503 30329 623 29 624 a-Alanine, conf. II
69349.5845 0.1381 -5.5464 3 82.0172177 89503 30329 623 29 524 a-Alanine, conf. II
69349.8285 0.1381 -5.5464 3 82.0172177 89503 30329 723 29 624 a-Alanine, conf. II
69349.8404 0.1381 -4.9925 3 82.0172177 89503 30329 723 29 524 a-Alanine, conf. II
69351.0974 28.7206 -5.7636 3 533.4249423 89503 303702941 702842 a-Alanine, conf. II
69383.8907 1.9641 -5.3999 3 235.2700279 89503 303462125 462026 a-Alanine, conf. II
69420.9175 0.7875 -5.3753 3 179.0895249 89503 303411527 411428 a-Alanine, conf. II
69427.7859 55.7161 -5.9000 3 624.4833459 89503 303763046 762947 a-Alanine, conf. II
69473.7945 0.0977 -5.9447 3 49.8652147 89503 30324 222 24 123 a-Alanine, conf. II
69473.7945 0.0977 -5.3364 3 49.8652147 89503 30324 222 24 223 a-Alanine, conf. II
69473.7945 0.0977 -5.3364 3 49.8652147 89503 30324 322 24 123 a-Alanine, conf. II
69473.7945 0.0977 -5.9447 3 49.8652147 89503 30324 322 24 223 a-Alanine, conf. II
69514.7526 1.1556 -5.0242 3 208.4041267 89503 303441728 441529 a-Alanine, conf. II
69552.5375 0.4976 -5.3951 3 127.1648201 89503 303331815 331716 a-Alanine, conf. II
69558.5393 0.4992 -5.5757 3 74.9594147 89503 3032417 7 2416 8 a-Alanine, conf. II
69558.5474 0.4992 -5.5757 3 74.9594147 89503 3032417 8 2416 9 a-Alanine, conf. II
69583.4602 0.4959 -5.3948 3 127.1636201 89503 303331816 331717 a-Alanine, conf. II
69610.8802 0.7667 -4.9623 3 179.0831249 89503 303411527 411328 a-Alanine, conf. II
69692.0418 14.9884 -5.2025 3 338.1879339 89503 303562135 562136 a-Alanine, conf. II
69737.8891 1.8041 -5.3850 3 228.3201279 89503 303461829 461730 a-Alanine, conf. II
69788.7776 25.0953 -5.6968 3 489.5448405 89503 303672839 672740 a-Alanine, conf. II
69821.4446 0.1354 -5.9158 3 39.7350117 89503 30319 910 19 713 a-Alanine, conf. II
69873.4681 0.5141 -5.6164 3 70.4025141 89503 3032317 6 2316 7 a-Alanine, conf. II
69873.4698 0.5141 -5.6164 3 70.4025141 89503 3032317 7 2316 8 a-Alanine, conf. II
69962.1316 19.0708 -5.9756 3 676.2786477 89503 303793247 793148 a-Alanine, conf. II
69966.6102 38.4672 -5.6903 3 485.2251405 89503 303672641 672542 a-Alanine, conf. II
70039.7545 0.3660 -4.9256 3 151.7461231 89503 303381226 381227 a-Alanine, conf. II
70061.0769 0.1188 -6.2211 3 43.6783141 89503 30323 122 23 023 a-Alanine, conf. II
70061.0769 0.1188 -5.6007 3 43.6783141 89503 30323 122 23 123 a-Alanine, conf. II
70061.0769 0.1188 -5.6007 3 43.6783141 89503 30323 222 23 023 a-Alanine, conf. II
70061.0769 0.1188 -6.2211 3 43.6783141 89503 30323 222 23 123 a-Alanine, conf. II
70066.1118 0.3653 -5.3806 3 151.7452231 89503 303381226 381127 a-Alanine, conf. II
70084.2259 0.6336 -5.3664 3 164.2478231 89503 303381919 381820 a-Alanine, conf. II
70126.5850 0.8069 -5.0803 3 219.3347273 89503 303451828 451629 a-Alanine, conf. II
70136.6694 35.3043 -5.3504 3 428.3842381 89503 303632439 632440 a-Alanine, conf. II
70147.4311 0.5288 -5.6663 3 66.0424135 89503 3032217 5 2216 6 a-Alanine, conf. II
70147.4314 0.5288 -5.6663 3 66.0424135 89503 3032217 6 2216 7 a-Alanine, conf. II
70172.3931113.7182 -5.6662 3 606.9104453 89503 303752946 752947 a-Alanine, conf. II
70218.7658 0.1541 -4.9317 3 103.1851195 89503 30332 824 32 825 a-Alanine, conf. II
70218.9900 0.1541 -5.4562 3 103.1851195 89503 30332 824 32 725 a-Alanine, conf. II
70222.2515 0.1541 -5.4562 3 103.1851195 89503 30332 924 32 825 a-Alanine, conf. II
70222.4757 0.1541 -4.9317 3 103.1851195 89503 30332 924 32 725 a-Alanine, conf. II
70278.9527 2.0387 -5.4001 3 261.0032297 89503 303492030 491931 a-Alanine, conf. II
70284.9461 0.3560 -5.3780 3 151.7461231 89503 303381326 381227 a-Alanine, conf. II
70296.5162 0.0127 -4.3323 3 15.1208 75 89503 30312 6 6 11 6 5 a-Alanine, conf. II
70311.3034 0.3554 -4.9225 3 151.7452231 89503 303381326 381127 a-Alanine, conf. II
70328.2890 20.3808 -5.6335 3 447.5448387 89503 303642737 642638 a-Alanine, conf. II
70336.8081 0.1302 -5.0268 3 74.6306171 89503 30328 523 28 524 a-Alanine, conf. II
70336.8094 0.1302 -5.5963 3 74.6306171 89503 30328 523 28 424 a-Alanine, conf. II
70336.8428 0.1302 -5.5963 3 74.6306171 89503 30328 623 28 524 a-Alanine, conf. II
70336.8440 0.1302 -5.0268 3 74.6306171 89503 30328 623 28 424 a-Alanine, conf. II
70378.2245 0.5040 -5.3996 3 120.8090195 89503 303321814 321715 a-Alanine, conf. II
70379.6161 0.8283 -5.2542 3 150.3495225 89503 303371622 371423 a-Alanine, conf. II
70382.2038 3.1585 -5.4161 3 265.9088297 89503 303492227 492128 a-Alanine, conf. II
70384.8722 0.5433 -5.7287 3 61.8782129 89503 3032117 4 2116 5 a-Alanine, conf. II
70384.8722 0.5433 -5.7287 3 61.8782129 89503 3032117 5 2116 6 a-Alanine, conf. II
70389.3645 0.5035 -5.3995 3 120.8086195 89503 303321815 321716 a-Alanine, conf. II
70426.5893 0.5984 -5.3624 3 164.2349231 89503 303381920 381821 a-Alanine, conf. II
70463.3269 0.7432 -5.3657 3 206.4306261 89503 303432024 431925 a-Alanine, conf. II
70517.9486 16.5254 -5.5242 3 363.1687351 89503 303582236 582137 a-Alanine, conf. II
70528.8437 0.1707 -4.9114 3 126.4360213 89503 303351025 351026 a-Alanine, conf. II
70531.6767 0.1708 -5.4035 3 126.4359213 89503 303351025 35 926 a-Alanine, conf. II
70544.7142 0.7357 -5.1219 3 210.5227267 89503 303441827 441628 a-Alanine, conf. II
70562.4760 0.1714 -5.4031 3 126.4360213 89503 303351125 351026 a-Alanine, conf. II
70565.3090 0.1714 -4.9110 3 126.4359213 89503 303351125 35 926 a-Alanine, conf. II
70569.5415 0.9712 -5.3666 3 198.0806255 89503 303422022 421923 a-Alanine, conf. II
70589.7323 0.5574 -5.8088 3 57.9090123 89503 3032017 3 2016 4 a-Alanine, conf. II
70589.7323 0.5574 -5.8088 3 57.9090123 89503 3032017 4 2016 5 a-Alanine, conf. II
70660.3530 0.0065 -5.5574 3 15.7892 81 89503 30313 310 12 4 9 a-Alanine, conf. II
70667.2491 1.1482 -5.3670 3 197.6269261 89503 303431628 431529 a-Alanine, conf. II
70692.2165 0.9211 -5.3974 3 263.3475297 89503 303492129 492030 a-Alanine, conf. II
70730.2193 0.0160 -5.7657 3 16.6011 81 89503 30313 4 9 12 5 8 a-Alanine, conf. II
70765.5372 0.5711 -5.9168 3 54.1339117 89503 3031917 2 1916 3 a-Alanine, conf. II
70765.5372 0.5711 -5.9168 3 54.1339117 89503 3031917 3 1916 4 a-Alanine, conf. II
70785.1236 0.0120 -5.2315 3 16.8916 93 89503 30315 015 14 114 a-Alanine, conf. II
70785.1243 0.0120 -4.1216 3 16.8916 93 89503 30315 115 14 114 a-Alanine, conf. II
70785.1258 0.0120 -4.1216 3 16.8916 93 89503 30315 015 14 014 a-Alanine, conf. II
70785.1265 0.0120 -5.2315 3 16.8916 93 89503 30315 115 14 014 a-Alanine, conf. II
70831.7896 15.5354 -5.5752 3 407.4307369 89503 303612635 612536 a-Alanine, conf. II
70915.4652 0.5844 -6.0758 3 50.5521111 89503 3031817 1 1816 2 a-Alanine, conf. II
70915.4652 0.5844 -6.0758 3 50.5521111 89503 3031817 2 1816 3 a-Alanine, conf. II
70969.7437 0.7544 -5.3877 3 253.7430291 89503 303482128 482029 a-Alanine, conf. II
70978.3601 0.0058 -4.2311 3 15.7892 81 89503 30313 410 12 4 9 a-Alanine, conf. II
70987.0703 1.0937 -4.9697 3 197.6162261 89503 303431628 431429 a-Alanine, conf. II
70995.2888 59.5971 -5.8370 3 591.7665447 89503 303742945 742846 a-Alanine, conf. II
71003.0708 4.9985 -5.4425 3 298.4448315 89503 303522329 522230 a-Alanine, conf. II
71028.3856 0.1236 -6.0744 3 47.1100129 89503 30321 813 201010 a-Alanine, conf. II
71079.2808 0.0083 -5.8297 3 9.8536 63 89503 30310 5 6 9 4 5 a-Alanine, conf. II
71086.9443 1.4571 -5.4021 3 273.1371303 89503 303502130 502031 a-Alanine, conf. II
71098.5419 0.5140 -5.4075 3 114.6604189 89503 303311813 311714 a-Alanine, conf. II
71102.3326 0.5138 -5.4074 3 114.6603189 89503 303311814 311715 a-Alanine, conf. II
71104.2726 2.2743 -5.3858 3 249.0793291 89503 303481930 481831 a-Alanine, conf. II
71138.3931 0.0066 -4.2579 3 14.0625 75 89503 30312 4 8 11 4 7 a-Alanine, conf. II
71154.3172 4.1067 -6.0476 3 727.6095495 89503 303823349 823250 a-Alanine, conf. II
71174.2694 11.1840 -5.5231 3 369.2073351 89503 303582533 582434 a-Alanine, conf. II
71200.7171 0.1205 -5.0816 3 67.4751165 89503 30327 423 27 424 a-Alanine, conf. II
71200.7172 0.1205 -5.6653 3 67.4751165 89503 30327 423 27 324 a-Alanine, conf. II
71200.7210 0.1205 -5.6653 3 67.4751165 89503 30327 523 27 424 a-Alanine, conf. II
71200.7212 0.1205 -5.0816 3 67.4751165 89503 30327 523 27 324 a-Alanine, conf. II
71254.6823 7.6460 -5.4785 3 332.8779333 89503 303552431 552332 a-Alanine, conf. II
71266.4206 0.1334 -5.8376 3 40.8569117 89503 3031910 9 19 812 a-Alanine, conf. II
71303.4416 0.6055 -4.9242 3 168.9318243 89503 303401327 401328 a-Alanine, conf. II
71305.9950 0.0131 -6.2204 3 4.7004 45 89503 303 7 5 2 6 3 3 a-Alanine, conf. II
71312.2825 0.0106 -6.0411 3 5.3233 51 89503 303 8 3 5 7 1 6 a-Alanine, conf. II
71346.4153 0.1286 -5.9030 3 37.1929111 89503 3031810 8 18 811 a-Alanine, conf. II
71351.5153 0.6017 -5.3647 3 168.9302243 89503 303401327 401228 a-Alanine, conf. II
71354.5591 0.2243 -5.6383 3 64.9546147 89503 303241213 241014 a-Alanine, conf. II
71398.4763 0.0059 -4.2248 3 15.7646 81 89503 30313 310 12 3 9 a-Alanine, conf. II
71411.2460 0.6057 -5.3584 3 156.8698225 89503 303371918 371819 a-Alanine, conf. II
71435.0826 1.3484 -5.0389 3 228.2635279 89503 303461829 461630 a-Alanine, conf. II
71471.4223 0.1595 -4.9395 3 95.0856189 89503 30331 724 31 725 a-Alanine, conf. II
71471.4549 0.1595 -5.4814 3 95.0856189 89503 30331 724 31 625 a-Alanine, conf. II
71472.0289 0.1594 -5.4814 3 95.0856189 89503 30331 824 31 725 a-Alanine, conf. II
71472.0614 0.1594 -4.9394 3 95.0856189 89503 30331 824 31 625 a-Alanine, conf. II
71551.0190169.8345 -5.8008 3 690.0154483 89503 303803149 803150 a-Alanine, conf. II
71555.5699 0.5921 -5.3567 3 156.8644225 89503 303371919 371820 a-Alanine, conf. II
71598.0856 0.1293 -6.0959 3 30.4818 99 89503 3031610 7 16 8 8 a-Alanine, conf. II
71685.8466 1.0780 -5.2034 3 175.1473243 89503 303401724 401525 a-Alanine, conf. II
71708.8636 0.0127 -5.8587 3 7.9575 57 89503 303 9 5 4 8 4 5 a-Alanine, conf. II
71716.2943 0.5687 -5.3604 3 168.9318243 89503 303401427 401328 a-Alanine, conf. II
71716.4834 0.0065 -5.5413 3 15.7646 81 89503 30313 410 12 3 9 a-Alanine, conf. II
71731.1606 0.5263 -5.4186 3 108.7169183 89503 303301812 301713 a-Alanine, conf. II
71732.3759 0.5263 -5.4186 3 108.7168183 89503 303301813 301714 a-Alanine, conf. II
71756.4629 10.5962 -5.1332 3 313.9582327 89503 303542034 542035 a-Alanine, conf. II
71764.3680 0.5652 -4.9190 3 168.9302243 89503 303401427 401228 a-Alanine, conf. II
71770.8728 0.8175 -5.3745 3 244.3336285 89503 303472127 472028 a-Alanine, conf. II
71771.5522 0.7476 -5.3526 3 198.0340255 89503 303422023 421924 a-Alanine, conf. II
71868.1781 1.6022 -5.3634 3 217.0467273 89503 303451729 451630 a-Alanine, conf. II
71930.8146 0.1420 -6.1397 3 34.9991111 89503 30318 810 18 613 a-Alanine, conf. II
71958.4439 0.1139 -5.7637 3 60.5536159 89503 30326 323 26 224 a-Alanine, conf. II
71958.4439 0.1139 -5.1667 3 60.5536159 89503 30326 323 26 324 a-Alanine, conf. II
71958.4443 0.1139 -5.1667 3 60.5536159 89503 30326 423 26 224 a-Alanine, conf. II
71958.4443 0.1139 -5.7637 3 60.5536159 89503 30326 423 26 324 a-Alanine, conf. II
71989.5232 0.0441 -6.1178 3 23.4640 93 89503 30315 6 9 14 7 8 a-Alanine, conf. II
72028.1909 0.1293 -5.9853 3 33.7170105 89503 3031710 7 17 810 a-Alanine, conf. II
72061.5956 53.3278 -6.0675 3 744.3021501 89503 303833350 833251 a-Alanine, conf. II
72129.7486 0.1606 -4.8998 3 117.6359207 89503 30334 925 34 926 a-Alanine, conf. II
72130.2603 0.1607 -5.4119 3 117.6358207 89503 30334 925 34 826 a-Alanine, conf. II
72136.8852 0.1608 -5.4118 3 117.6359207 89503 303341025 34 926 a-Alanine, conf. II
72137.3970 0.1608 -4.8997 3 117.6358207 89503 303341025 34 826 a-Alanine, conf. II
72149.3186 12.6214 -5.4788 3 338.1060339 89503 303562135 562036 a-Alanine, conf. II
72180.7146 0.2412 -4.8953 3 142.2593225 89503 303371126 371127 a-Alanine, conf. II
72186.4092 0.2412 -5.3743 3 142.2591225 89503 303371126 371027 a-Alanine, conf. II
72223.5814 0.1447 -5.7932 3 44.7009123 89503 303201010 20 813 a-Alanine, conf. II
72225.9258 0.0133 -4.2586 3 14.4991 75 89503 30312 5 7 11 5 6 a-Alanine, conf. II
72239.7805 2.2581 -5.4014 3 283.1016309 89503 303512131 512032 a-Alanine, conf. II
72242.5135 0.2408 -5.3736 3 142.2593225 89503 303371226 371127 a-Alanine, conf. II
72248.2082 0.2409 -4.8945 3 142.2591225 89503 303371226 371027 a-Alanine, conf. II
72257.5744 33.4706 -5.6297 3 456.3097393 89503 303652540 652441 a-Alanine, conf. II
72288.6562 0.5404 -5.4334 3 102.9767177 89503 303291811 291712 a-Alanine, conf. II
72289.0220 0.5404 -5.4333 3 102.9767177 89503 303291812 291713 a-Alanine, conf. II
72379.4789 0.9717 -4.9299 3 187.0042255 89503 303421428 421429 a-Alanine, conf. II
72385.2397247.0179 -5.9542 3 778.3699513 89503 303853352 853353 a-Alanine, conf. II
72393.8928 1.4746 -4.9818 3 217.0292273 89503 303451729 451530 a-Alanine, conf. II
72433.5972 1.4464 -5.3644 3 226.2029273 89503 303452124 452025 a-Alanine, conf. II
72464.6202 0.9599 -5.3553 3 187.0014255 89503 303421428 421329 a-Alanine, conf. II
72468.1146 73.2469 -6.0069 3 708.6455489 89503 303813249 813150 a-Alanine, conf. II
72471.6542 0.1898 -6.1972 3 59.3021147 89503 30324 717 23 914 a-Alanine, conf. II
72475.4074 0.0060 -5.3772 3 17.1325 87 89503 30314 212 13 311 a-Alanine, conf. II
72482.0693 0.0060 -4.1655 3 17.1325 87 89503 30314 312 13 311 a-Alanine, conf. II
72494.2164 0.0060 -4.1654 3 17.1318 87 89503 30314 212 13 211 a-Alanine, conf. II
72500.8783 0.0060 -5.3769 3 17.1318 87 89503 30314 312 13 211 a-Alanine, conf. II
72520.7296 0.8299 -5.3474 3 189.8723249 89503 303412021 411922 a-Alanine, conf. II
72521.5446 0.5948 -5.3544 3 149.7080219 89503 303361917 361818 a-Alanine, conf. II
72564.3778 2.7522 -5.3894 3 270.7166303 89503 303502031 501932 a-Alanine, conf. II
72564.8028 0.1603 -4.9598 3 87.2110183 89503 30330 624 30 625 a-Alanine, conf. II
72564.8069 0.1603 -5.5176 3 87.2110183 89503 30330 624 30 525 a-Alanine, conf. II
72564.8947 0.1603 -5.5176 3 87.2110183 89503 30330 724 30 625 a-Alanine, conf. II
72564.8987 0.1603 -4.9597 3 87.2110183 89503 30330 724 30 525 a-Alanine, conf. II
72579.3076 0.5898 -5.3537 3 149.7059219 89503 303361918 361819 a-Alanine, conf. II
72623.6705 0.1169 -5.9143 3 53.8688153 89503 30325 223 25 124 a-Alanine, conf. II
72623.6705 0.1169 -5.3049 3 53.8688153 89503 30325 223 25 224 a-Alanine, conf. II
72623.6705 0.1169 -5.3049 3 53.8688153 89503 30325 323 25 124 a-Alanine, conf. II
72623.6705 0.1169 -5.9143 3 53.8688153 89503 30325 323 25 224 a-Alanine, conf. II
72635.2693350.7826 -6.1261 3 871.9541543 89503 303903555 903556 a-Alanine, conf. II
72780.6369 0.5556 -5.4519 3 97.4384171 89503 303281810 281711 a-Alanine, conf. II
72780.7398 0.5556 -5.4519 3 97.4384171 89503 303281811 281712 a-Alanine, conf. II
72886.3242 0.0315 -5.9258 3 19.8871 87 89503 30314 5 9 13 6 8 a-Alanine, conf. II
72919.6027 0.8935 -5.3594 3 235.1277279 89503 303462126 462027 a-Alanine, conf. II
72949.1064 22.2630 -6.1198 3 780.7844513 89503 303853451 853352 a-Alanine, conf. II
72983.9190 0.1342 -6.0838 3 30.4358 99 89503 3031610 6 16 8 9 a-Alanine, conf. II
73042.5704 57.4619 -5.4369 3 498.7838411 89503 303682642 682643 a-Alanine, conf. II
73046.9293 2.1479 -5.3638 3 237.3473285 89503 303471830 471731 a-Alanine, conf. II
73056.7746 0.8729 -5.3485 3 187.0042255 89503 303421528 421429 a-Alanine, conf. II
73069.9861 0.0829 -5.8717 3 42.0640123 89503 30320 713 19 910 a-Alanine, conf. II
73078.2893 0.7362 -5.3409 3 189.8510249 89503 303412022 411923 a-Alanine, conf. II
73087.2642 0.0302 -5.5449 3 7.8563 51 89503 303 8 7 2 7 6 1 a-Alanine, conf. II
73090.0584 0.0302 -5.5449 3 7.8562 51 89503 303 8 7 1 7 6 2 a-Alanine, conf. II
73104.2820 7.3616 -5.0755 3 290.6031315 89503 303521933 521934 a-Alanine, conf. II
73141.9159 0.8617 -4.9214 3 187.0014255 89503 303421528 421329 a-Alanine, conf. II
73185.2780 57.6288 -5.7707 3 559.8797435 89503 303722844 722745 a-Alanine, conf. II
73207.6128 0.1340 -6.1907 3 47.4233147 89503 30324 123 24 024 a-Alanine, conf. II
73207.6128 0.1340 -5.5698 3 47.4233147 89503 30324 123 24 124 a-Alanine, conf. II
73207.6128 0.1340 -5.5698 3 47.4233147 89503 30324 223 24 024 a-Alanine, conf. II
73207.6128 0.1340 -6.1907 3 47.4233147 89503 30324 223 24 124 a-Alanine, conf. II
73214.8424 0.5715 -5.4747 3 92.1007165 89503 3032718 9 271710 a-Alanine, conf. II
73214.8693 0.5715 -5.4747 3 92.1007165 89503 303271810 271711 a-Alanine, conf. II
73229.2509 1.5106 -4.9428 3 205.9615267 89503 303441529 441530 a-Alanine, conf. II
73230.8639 1.2878 -5.1636 3 201.8192261 89503 303431826 431627 a-Alanine, conf. II
73335.6512 0.0407 -4.9867 3 25.0141 81 89503 3031312 1 1212 0 a-Alanine, conf. II
73335.6512 0.0407 -4.9867 3 25.0141 81 89503 3031312 2 1212 1 a-Alanine, conf. II
73342.6536 0.7762 -5.0955 3 239.6221285 89503 303471929 471730 a-Alanine, conf. II
73369.8985 9.3107 -5.4398 3 313.9043327 89503 303542034 541935 a-Alanine, conf. II
73376.1122 1.4797 -5.3524 3 205.9566267 89503 303441529 441430 a-Alanine, conf. II
73395.0443 0.1601 -5.8219 3 46.0221123 89503 303201110 20 911 a-Alanine, conf. II
73428.5010 0.3085 -5.5288 3 81.5919165 89503 303271315 271116 a-Alanine, conf. II
73453.2979 0.1399 -6.2054 3 27.3717 93 89503 3031510 6 15 8 7 a-Alanine, conf. II
73474.3075 0.5938 -5.3538 3 142.7584213 89503 303351916 351817 a-Alanine, conf. II
73479.3417 0.0324 -4.6983 3 23.3637 81 89503 3031311 3 1211 2 a-Alanine, conf. II
73479.3432 0.0324 -4.6983 3 23.3637 81 89503 3031311 2 1211 1 a-Alanine, conf. II
73484.4075 26.1811 -5.2590 3 401.1178369 89503 303612338 612339 a-Alanine, conf. II
73496.2668 0.5920 -5.3535 3 142.7576213 89503 303351917 351818 a-Alanine, conf. II
73508.8219 0.1704 -4.8985 3 109.0534201 89503 30333 825 33 826 a-Alanine, conf. II
73508.9036 0.1704 -5.4286 3 109.0534201 89503 30333 825 33 726 a-Alanine, conf. II
73510.1686 0.1704 -5.4286 3 109.0534201 89503 30333 925 33 826 a-Alanine, conf. II
73510.2503 0.1704 -4.8985 3 109.0534201 89503 30333 925 33 726 a-Alanine, conf. II
73524.5449 0.1558 -4.9952 3 79.5647177 89503 30329 524 29 525 a-Alanine, conf. II
73524.5453 0.1558 -5.5677 3 79.5647177 89503 30329 524 29 425 a-Alanine, conf. II
73524.5568 0.1558 -5.5677 3 79.5647177 89503 30329 624 29 525 a-Alanine, conf. II
73524.5572 0.1558 -4.9952 3 79.5647177 89503 30329 624 29 425 a-Alanine, conf. II
73528.1227 0.0065 -4.2182 3 16.6011 81 89503 30313 5 9 12 5 8 a-Alanine, conf. II
73597.7335 0.5879 -5.5024 3 86.9624159 89503 3032618 8 2617 9 a-Alanine, conf. II
73597.7400 0.5879 -5.5024 3 86.9624159 89503 3032618 9 261710 a-Alanine, conf. II
73670.9794 0.0249 -4.5354 3 21.8622 81 89503 3031310 4 1210 3 a-Alanine, conf. II
73671.0520 0.0249 -4.5354 3 21.8622 81 89503 3031310 3 1210 2 a-Alanine, conf. II
73673.1267 1.4321 -5.4003 3 295.7048315 89503 303522231 522132 a-Alanine, conf. II
73679.2300 0.9277 -5.3909 3 285.5112309 89503 303512230 512131 a-Alanine, conf. II
73701.5242 1.3864 -5.0570 3 248.9926291 89503 303481930 481731 a-Alanine, conf. II
73715.9753 0.3910 -4.8864 3 158.9737237 89503 303391227 391228 a-Alanine, conf. II
73726.9835 0.3906 -5.3522 3 158.9733237 89503 303391227 391128 a-Alanine, conf. II
73770.0157 0.0096 -5.7851 3 11.8615 69 89503 30311 5 7 10 4 6 a-Alanine, conf. II
73801.1023 2.2929 -4.9631 3 225.8018279 89503 303461630 461631 a-Alanine, conf. II
73825.9007 0.3854 -5.3510 3 158.9737237 89503 303391327 391228 a-Alanine, conf. II
73827.8326 5.0477 -5.0286 3 268.1243303 89503 303501832 501833 a-Alanine, conf. II
73836.9089 0.3851 -4.8850 3 158.9733237 89503 303391327 391128 a-Alanine, conf. II
73892.0044 1.8713 -4.9983 3 237.3191285 89503 303471830 471631 a-Alanine, conf. II
73928.4676 0.0070 -5.2529 3 18.2847 93 89503 30315 114 14 213 a-Alanine, conf. II
73928.5261 0.0070 -4.1032 3 18.2847 93 89503 30315 214 14 213 a-Alanine, conf. II
73928.6545 0.0070 -4.1032 3 18.2847 93 89503 30315 114 14 113 a-Alanine, conf. II
73928.7130 0.0070 -5.2529 3 18.2847 93 89503 30315 214 14 113 a-Alanine, conf. II
73934.8324 0.6045 -5.5359 3 82.0224153 89503 3032518 7 2517 8 a-Alanine, conf. II
73934.8338 0.6045 -5.5359 3 82.0224153 89503 3032518 8 2517 9 a-Alanine, conf. II
73935.6625 0.0184 -4.4239 3 20.5117 81 89503 30313 9 5 12 9 4 a-Alanine, conf. II
73937.8240 0.0184 -4.4238 3 20.5117 81 89503 30313 9 4 12 9 3 a-Alanine, conf. II
73939.4652 82.5584 -5.9398 3 673.8122477 89503 303793148 793049 a-Alanine, conf. II
73947.0599 0.1814 -4.8765 3 132.9818219 89503 303361026 361027 a-Alanine, conf. II
73948.1652 0.1814 -5.3763 3 132.9818219 89503 303361026 36 927 a-Alanine, conf. II
73961.0385 0.1816 -5.3761 3 132.9818219 89503 303361126 361027 a-Alanine, conf. II
73962.1438 0.1817 -4.8763 3 132.9818219 89503 303361126 36 927 a-Alanine, conf. II
73989.7703 0.1418 -6.2005 3 27.3539 93 89503 3031510 5 15 8 8 a-Alanine, conf. II
73991.7222 47.2064 -5.9982 3 711.0628489 89503 303813348 813249 a-Alanine, conf. II
74002.1651 2.2532 -5.3727 3 256.2164291 89503 303482226 482127 a-Alanine, conf. II
74028.1796 3.4229 -4.9914 3 246.5233291 89503 303481731 481732 a-Alanine, conf. II
74044.2472 49.0682 -5.9170 3 660.3225471 89503 303783246 783147 a-Alanine, conf. II
74048.4148 2.2198 -5.3560 3 225.7935279 89503 303461630 461531 a-Alanine, conf. II
74072.0608 0.7582 -5.3342 3 181.8916243 89503 303402020 401921 a-Alanine, conf. II
74072.7774 0.0164 -5.6489 3 8.6091 57 89503 303 9 6 4 8 5 3 a-Alanine, conf. II
74143.8775 6.6897 -5.4080 3 290.5685315 89503 303521933 521834 a-Alanine, conf. II
74153.0830 3.1955 -5.3954 3 293.2314315 89503 303522132 522033 a-Alanine, conf. II
74230.9374 0.6210 -5.5766 3 77.2796147 89503 3032418 6 2417 7 a-Alanine, conf. II
74230.9377 0.6210 -5.5766 3 77.2796147 89503 3032418 7 2417 8 a-Alanine, conf. II
74231.3428 2.7744 -5.3678 3 258.5271297 89503 303491931 491832 a-Alanine, conf. II
74249.2493 0.9218 -5.3439 3 226.1315273 89503 303452125 452026 a-Alanine, conf. II
74293.0365 0.9109 -5.3773 3 275.5083303 89503 303502229 502130 a-Alanine, conf. II
74305.1506 0.5991 -5.3563 3 136.0181207 89503 303341915 341816 a-Alanine, conf. II
74307.0905 0.0134 -4.3404 3 19.3158 81 89503 30313 8 6 12 8 5 a-Alanine, conf. II
74313.0753 0.5984 -5.3562 3 136.0178207 89503 303341916 341817 a-Alanine, conf. II
74313.7950 1.2808 -5.3418 3 205.9615267 89503 303441629 441530 a-Alanine, conf. II
74317.2693 0.7209 -5.3314 3 181.8824243 89503 303402021 401922 a-Alanine, conf. II
74347.5481 0.0137 -4.3399 3 19.3163 81 89503 30313 8 5 12 8 4 a-Alanine, conf. II
74368.7847 38.2233 -6.0805 3 763.6571507 89503 303843450 843351 a-Alanine, conf. II
74369.7595 0.1482 -5.0509 3 72.1499171 89503 30328 424 28 425 a-Alanine, conf. II
74369.7596 0.1482 -5.6369 3 72.1499171 89503 30328 424 28 325 a-Alanine, conf. II
74369.7608 0.1482 -5.6369 3 72.1499171 89503 30328 524 28 425 a-Alanine, conf. II
74369.7609 0.1482 -5.0509 3 72.1499171 89503 30328 524 28 325 a-Alanine, conf. II
74398.2672 2.3700 -5.4046 3 306.0788321 89503 303532232 532133 a-Alanine, conf. II
74421.3236 45.9965 -5.8377 3 611.4437453 89503 303753144 753045 a-Alanine, conf. II
74435.5307 3.2615 -5.3663 3 246.5097291 89503 303481731 481632 a-Alanine, conf. II
74460.6563 1.2513 -4.9292 3 205.9566267 89503 303441629 441430 a-Alanine, conf. II
74476.1910 27.5306 -5.5715 3 428.2394381 89503 303632439 632340 a-Alanine, conf. II
74484.8360 0.0171 -5.6462 3 8.5979 57 89503 303 9 6 3 8 5 4 a-Alanine, conf. II
74485.0274 4.7108 -5.3835 3 268.1024303 89503 303501832 501733 a-Alanine, conf. II
74490.2704 0.6374 -5.6266 3 72.7332141 89503 3032318 5 2317 6 a-Alanine, conf. II
74490.2704 0.6374 -5.6266 3 72.7332141 89503 3032318 6 2317 7 a-Alanine, conf. II
74713.0774 0.1819 -4.9080 3 100.6930195 89503 30332 725 32 726 a-Alanine, conf. II
74713.0887 0.1819 -5.4544 3 100.6930195 89503 30332 725 32 626 a-Alanine, conf. II
74713.3015 0.1819 -5.4544 3 100.6930195 89503 30332 825 32 726 a-Alanine, conf. II
74713.3129 0.1819 -4.9080 3 100.6930195 89503 30332 825 32 626 a-Alanine, conf. II
74716.5834 0.6535 -5.6889 3 68.3823135 89503 3032218 4 2217 5 a-Alanine, conf. II
74716.5834 0.6535 -5.6889 3 68.3823135 89503 3032218 5 2217 6 a-Alanine, conf. II
74737.2509 0.0104 -4.2757 3 18.2790 81 89503 30313 7 7 12 7 6 a-Alanine, conf. II
74751.6332 1.1457 -5.3390 3 217.3827267 89503 303442123 442024 a-Alanine, conf. II
74754.2117 0.1637 -5.7777 3 48.7167129 89503 303211011 21 814 a-Alanine, conf. II
74754.5751 0.0084 -4.2317 3 17.3935 81 89503 30313 6 8 12 6 7 a-Alanine, conf. II
74913.2397 0.6693 -5.7690 3 64.2260129 89503 3032118 3 2117 4 a-Alanine, conf. II
74913.2397 0.6693 -5.7690 3 64.2260129 89503 3032118 4 2117 5 a-Alanine, conf. II
74947.3544 0.4299 -5.4380 3 100.1321183 89503 303301417 301218 a-Alanine, conf. II
75000.7023 39.9579 -5.7611 3 564.4337435 89503 303723042 722943 a-Alanine, conf. II
75036.6166 0.6085 -5.3618 3 129.4848201 89503 303331914 331815 a-Alanine, conf. II
75039.3275 0.6083 -5.3618 3 129.4847201 89503 303331915 331816 a-Alanine, conf. II
75083.2760 0.6846 -5.8770 3 60.2636123 89503 3032018 2 2017 3 a-Alanine, conf. II
75083.2760 0.6846 -5.8770 3 60.2636123 89503 3032018 3 2017 4 a-Alanine, conf. II
75085.5707 1.3754 -5.1340 3 230.3611279 89503 303461928 461729 a-Alanine, conf. II
75115.4708 0.1416 -5.7353 3 64.9695165 89503 30327 324 27 225 a-Alanine, conf. II
75115.4708 0.1416 -5.1367 3 64.9695165 89503 30327 324 27 325 a-Alanine, conf. II
75115.4709 0.1416 -5.1367 3 64.9695165 89503 30327 424 27 225 a-Alanine, conf. II
75115.4709 0.1416 -5.7353 3 64.9695165 89503 30327 424 27 325 a-Alanine, conf. II
75122.7139 0.6376 -4.8842 3 176.5773249 89503 303411328 411329 a-Alanine, conf. II
75143.2818 0.6357 -5.3365 3 176.5766249 89503 303411328 411229 a-Alanine, conf. II
75187.4377 0.0125 -5.9374 3 6.1011 51 89503 303 8 5 3 7 3 4 a-Alanine, conf. II
75190.7371 0.0129 -4.2702 3 18.2867 81 89503 30313 7 6 12 7 5 a-Alanine, conf. II
75229.4513 0.6994 -6.0361 3 56.4943117 89503 3031918 1 1917 2 a-Alanine, conf. II
75229.4513 0.6994 -6.0361 3 56.4943117 89503 3031918 2 1917 3 a-Alanine, conf. II
75244.4259 3.5735 -5.3911 3 288.1222309 89503 303512328 512229 a-Alanine, conf. II
75257.4997 19.8933 -6.1634 3 818.0977525 89503 303873552 873453 a-Alanine, conf. II
75312.6766 0.6175 -5.3346 3 176.5773249 89503 303411428 411329 a-Alanine, conf. II
75333.2446 0.6157 -4.8818 3 176.5766249 89503 303411428 411229 a-Alanine, conf. II
75345.8428 1.0463 -5.3610 3 265.7055297 89503 303492228 492129 a-Alanine, conf. II
75353.9790 0.7229 -5.3255 3 174.1310237 89503 303392019 391920 a-Alanine, conf. II
75368.5457 58.2753 -6.1922 3 835.7958531 89503 303883553 883454 a-Alanine, conf. II
75396.9761 0.0138 -5.1520 3 19.2527 99 89503 30316 016 15 115 a-Alanine, conf. II
75396.9763 0.0138 -4.0433 3 19.2527 99 89503 30316 116 15 115 a-Alanine, conf. II
75396.9767 0.0138 -4.0433 3 19.2527 99 89503 30316 016 15 015 a-Alanine, conf. II
75396.9769 0.0138 -5.1520 3 19.2527 99 89503 30316 116 15 015 a-Alanine, conf. II
75443.6391 91.2503 -6.1290 3 798.0373519 89503 303863452 863353 a-Alanine, conf. II
75453.3005 3.4582 -5.3751 3 280.5847309 89503 303512032 511933 a-Alanine, conf. II
75456.5545 0.7086 -5.3244 3 174.1272237 89503 303392020 391921 a-Alanine, conf. II
75460.6630 0.1740 -4.8675 3 123.9188213 89503 30335 926 35 927 a-Alanine, conf. II
75460.8546 0.1740 -5.3858 3 123.9188213 89503 30335 926 35 827 a-Alanine, conf. II
75463.4960 0.1741 -5.3858 3 123.9188213 89503 303351026 35 927 a-Alanine, conf. II
75463.6876 0.1741 -4.8675 3 123.9188213 89503 303351026 35 827 a-Alanine, conf. II
75498.2957 1.8042 -5.3399 3 225.8018279 89503 303461730 461631 a-Alanine, conf. II
75522.0964 90.1233 -5.5427 3 574.4752441 89503 303732845 732846 a-Alanine, conf. II
75523.0863 0.0070 -5.4385 3 18.1568 87 89503 30314 311 13 410 a-Alanine, conf. II
75561.2655 2.2105 -5.0186 3 258.4828297 89503 303491931 491732 a-Alanine, conf. II
75562.8066 0.1678 -5.9537 3 43.5016123 89503 30320 911 20 714 a-Alanine, conf. II
75627.9099 0.9132 -5.3292 3 217.3488267 89503 303442124 442025 a-Alanine, conf. II
75651.6284 32.5923 -5.6883 3 519.2990417 89503 303692940 692841 a-Alanine, conf. II
75652.3953 0.0068 -4.1449 3 18.1568 87 89503 30314 411 13 410 a-Alanine, conf. II
75653.0755 0.1700 -6.0669 3 56.7786141 89503 30323 914 221111 a-Alanine, conf. II
75667.0785 0.2560 -4.8608 3 149.2212231 89503 303381127 381128 a-Alanine, conf. II
75669.3569 0.2560 -5.3483 3 149.2212231 89503 303381127 381028 a-Alanine, conf. II
75675.0150 51.7028 -5.7036 3 528.8267423 89503 303702743 702644 a-Alanine, conf. II
75684.0570 0.6210 -5.3704 3 123.1566195 89503 303321913 321814 a-Alanine, conf. II
75684.9341 0.6209 -5.3704 3 123.1566195 89503 303321914 321815 a-Alanine, conf. II
75693.4357 0.2558 -5.3480 3 149.2212231 89503 303381227 381128 a-Alanine, conf. II
75695.7141 0.2558 -4.8605 3 149.2212231 89503 303381227 381028 a-Alanine, conf. II
75696.1316 0.0063 -4.1785 3 16.4354 81 89503 30313 4 9 12 4 8 a-Alanine, conf. II
75745.6083 1.7338 -4.9421 3 225.7935279 89503 303461730 461531 a-Alanine, conf. II
75772.3263 0.1881 -4.9295 3 92.5581189 89503 30331 625 31 626 a-Alanine, conf. II
75772.3276 0.1881 -5.4909 3 92.5581189 89503 30331 625 31 526 a-Alanine, conf. II
75772.3588 0.1881 -5.4909 3 92.5581189 89503 30331 725 31 626 a-Alanine, conf. II
75772.3601 0.1881 -4.9295 3 92.5581189 89503 30331 725 31 526 a-Alanine, conf. II
75773.8635 0.1416 -5.8859 3 58.0260159 89503 30326 224 26 125 a-Alanine, conf. II
75773.8635 0.1416 -5.2755 3 58.0260159 89503 30326 224 26 225 a-Alanine, conf. II
75773.8635 0.1416 -5.2755 3 58.0260159 89503 30326 324 26 125 a-Alanine, conf. II
75773.8635 0.1416 -5.8859 3 58.0260159 89503 30326 324 26 225 a-Alanine, conf. II
75841.0934 0.0069 -4.1423 3 18.1462 87 89503 30314 311 13 310 a-Alanine, conf. II
75903.1685 3.5523 -5.4035 3 316.6229327 89503 303542233 542134 a-Alanine, conf. II
75970.4024 0.0070 -5.4324 3 18.1462 87 89503 30314 411 13 310 a-Alanine, conf. II
76003.3111 19.0038 -5.1798 3 374.7217357 89503 303592237 592238 a-Alanine, conf. II
76052.0229 0.6221 -5.3620 3 120.5710201 89503 303331519 331320 a-Alanine, conf. II
76104.3055 0.0115 -5.7135 3 14.0625 75 89503 30312 5 8 11 4 7 a-Alanine, conf. II
76134.9262 5.6320 -5.4194 3 321.9212327 89503 303542430 542331 a-Alanine, conf. II
76171.5587 82.9386 -5.8684 3 639.8031465 89503 303773047 772948 a-Alanine, conf. II
76173.3110 0.0143 -5.6454 3 7.3127 57 89503 303 9 4 5 8 2 6 a-Alanine, conf. II
76245.6817 25.1440 -5.6204 3 476.0454399 89503 303662838 662739 a-Alanine, conf. II
76258.7458 0.6356 -5.3821 3 117.0320189 89503 303311912 311813 a-Alanine, conf. II
76259.0134 0.6356 -5.3821 3 117.0320189 89503 303311913 311814 a-Alanine, conf. II
76355.0433 0.1539 -6.1622 3 51.3219153 89503 30325 124 25 025 a-Alanine, conf. II
76355.0433 0.1539 -5.5407 3 51.3219153 89503 30325 124 25 125 a-Alanine, conf. II
76355.0433 0.1539 -5.5407 3 51.3219153 89503 30325 224 25 025 a-Alanine, conf. II
76355.0433 0.1539 -6.1622 3 51.3219153 89503 30325 224 25 125 a-Alanine, conf. II
76384.1453 1.0042 -4.8883 3 195.0683261 89503 303431429 431430 a-Alanine, conf. II
76415.5074 21.6509 -5.5178 3 401.0200369 89503 303612338 612239 a-Alanine, conf. II
76421.4376 0.9983 -5.3270 3 195.0671261 89503 303431429 431330 a-Alanine, conf. II
76445.8349 0.7073 -5.3204 3 166.5856231 89503 303382018 381919 a-Alanine, conf. II
76451.6265 1.1783 -5.0781 3 270.5870303 89503 303502031 501832 a-Alanine, conf. II
76472.0210 1.3294 -5.4006 3 319.1547327 89503 303542332 542233 a-Alanine, conf. II
76486.7067 0.7021 -5.3200 3 166.5841231 89503 303382019 381920 a-Alanine, conf. II
76521.8728 0.1609 -6.0056 3 54.6572141 89503 30323 716 22 913 a-Alanine, conf. II
76566.7564 0.9848 -5.3207 3 208.7963261 89503 303432122 432023 a-Alanine, conf. II
76625.4311 2.4506 -5.3423 3 246.5233291 89503 303481831 481732 a-Alanine, conf. II
76660.3715 8.6729 -5.4572 3 357.6138345 89503 303572532 572433 a-Alanine, conf. II
76661.4263 1.1271 -5.3435 3 256.1103291 89503 303482227 482128 a-Alanine, conf. II
76668.0686 18.4381 -5.5585 3 434.6778381 89503 303632736 632637 a-Alanine, conf. II
76703.9665 0.9496 -5.3239 3 195.0683261 89503 303431529 431430 a-Alanine, conf. II
76708.0574 0.1878 -4.9660 3 84.6523183 89503 30330 525 30 526 a-Alanine, conf. II
76708.0576 0.1878 -5.5412 3 84.6523183 89503 30330 525 30 426 a-Alanine, conf. II
76708.0615 0.1878 -5.5412 3 84.6523183 89503 30330 625 30 526 a-Alanine, conf. II
76708.0616 0.1878 -4.9660 3 84.6523183 89503 30330 625 30 426 a-Alanine, conf. II
76732.6175109.6263 -6.0584 3 761.0976507 89503 303843351 843252 a-Alanine, conf. II
76741.2588 0.9439 -4.8845 3 195.0671261 89503 303431529 431330 a-Alanine, conf. II
76747.6557 4.1608 -5.3851 3 303.5188321 89503 303532133 532034 a-Alanine, conf. II
76753.9419 1.6716 -5.3407 3 246.7798285 89503 303472225 472126 a-Alanine, conf. II
76763.5454 0.0627 -6.1613 3 34.8379111 89503 30318 810 17 9 9 a-Alanine, conf. II
76769.4961 0.6518 -5.3971 3 111.1095183 89503 303301911 301812 a-Alanine, conf. II
76769.5728 0.6517 -5.3971 3 111.1095183 89503 303301912 301813 a-Alanine, conf. II
76770.9694 2.3383 -5.4096 3 329.9350333 89503 303552333 552234 a-Alanine, conf. II
76781.1885 0.1912 -4.8681 3 115.0747207 89503 30334 826 34 827 a-Alanine, conf. II
76781.2179 0.1912 -5.4032 3 115.0747207 89503 30334 826 34 727 a-Alanine, conf. II
76781.7003 0.1912 -5.4032 3 115.0747207 89503 30334 926 34 827 a-Alanine, conf. II
76781.7296 0.1912 -4.8681 3 115.0747207 89503 30334 926 34 727 a-Alanine, conf. II
76827.1775 12.9086 -5.5038 3 395.1998363 89503 303602634 602535 a-Alanine, conf. II
76854.5962 1.0093 -5.3869 3 308.5604321 89503 303532331 532232 a-Alanine, conf. II
76894.5713 0.9188 -5.2985 3 142.9036219 89503 303361621 361422 a-Alanine, conf. II
76927.4508 43.5132 -5.3357 3 469.3609399 89503 303662541 662542 a-Alanine, conf. II
76967.5202 0.8885 -5.3163 3 208.7810261 89503 303432123 432024 a-Alanine, conf. II
77032.7822 2.2948 -4.9596 3 246.5097291 89503 303481831 481632 a-Alanine, conf. II
77040.7975 0.1668 -5.8801 3 42.0640117 89503 3031911 9 19 910 a-Alanine, conf. II
77087.5559 0.2181 -5.6766 3 60.1293141 89503 303231212 231013 a-Alanine, conf. II
77088.6908 0.0069 -5.2854 3 19.5502 93 89503 30315 213 14 312 a-Alanine, conf. II
77090.9901 0.0069 -4.0847 3 19.5502 93 89503 30315 313 14 312 a-Alanine, conf. II
77095.3527 0.0069 -4.0846 3 19.5500 93 89503 30315 213 14 212 a-Alanine, conf. II
77097.6521 0.0069 -5.2853 3 19.5500 93 89503 30315 313 14 212 a-Alanine, conf. II
77118.9514 0.0132 -5.5760 3 19.0537 87 89503 30314 410 13 5 9 a-Alanine, conf. II
77189.1933 0.0176 -4.1980 3 17.4656 81 89503 30313 6 7 12 6 6 a-Alanine, conf. II
77223.5123 0.6689 -5.4158 3 105.3880177 89503 303291910 291811 a-Alanine, conf. II
77223.5329 0.6689 -5.4158 3 105.3880177 89503 303291911 291812 a-Alanine, conf. II
77284.6700 0.4148 -4.8520 3 166.3523243 89503 303401228 401229 a-Alanine, conf. II
77286.5892 1.2740 -5.1136 3 260.7695297 89503 303492030 491831 a-Alanine, conf. II
77289.1819 0.4146 -5.3271 3 166.3521243 89503 303401228 401129 a-Alanine, conf. II
77325.2592 0.1919 -4.8450 3 139.6798225 89503 303371027 371028 a-Alanine, conf. II
77325.6837 0.1920 -5.3516 3 139.6798225 89503 303371027 37 928 a-Alanine, conf. II
77330.9538 0.1921 -5.3516 3 139.6798225 89503 303371127 371028 a-Alanine, conf. II
77331.3783 0.1921 -4.8449 3 139.6798225 89503 303371127 37 928 a-Alanine, conf. II
77332.7437 0.4119 -5.3267 3 166.3523243 89503 303401328 401229 a-Alanine, conf. II
77337.2556 0.4117 -4.8514 3 166.3521243 89503 303401328 401129 a-Alanine, conf. II
77395.0992 0.7033 -5.3183 3 159.2518225 89503 303372017 371918 a-Alanine, conf. II
77408.2623 0.0491 -5.4197 3 8.7867 51 89503 303 8 8 1 7 7 0 a-Alanine, conf. II
77408.2911 0.0491 -5.4197 3 8.7867 51 89503 303 8 8 0 7 7 1 a-Alanine, conf. II
77410.6149 0.7014 -5.3181 3 159.2513225 89503 303372018 371919 a-Alanine, conf. II
77448.6069 0.0938 -5.7886 3 46.0221129 89503 30321 714 20 911 a-Alanine, conf. II
77476.8372 1.5273 -4.8988 3 214.4448273 89503 303451530 451531 a-Alanine, conf. II
77503.6227 2.3690 -5.0423 3 280.5163309 89503 303512032 511833 a-Alanine, conf. II
77530.2707137.0178 -5.6674 3 655.4420471 89503 303783048 783049 a-Alanine, conf. II
77536.8609 0.1827 -5.6105 3 76.9784177 89503 30329 425 29 326 a-Alanine, conf. II
77536.8609 0.1827 -5.0224 3 76.9784177 89503 30329 425 29 426 a-Alanine, conf. II
77536.8613 0.1827 -5.0224 3 76.9784177 89503 30329 525 29 326 a-Alanine, conf. II
77536.8613 0.1827 -5.6105 3 76.9784177 89503 30329 525 29 426 a-Alanine, conf. II
77542.6619 1.5116 -5.3234 3 214.4426273 89503 303451530 451431 a-Alanine, conf. II
77626.8634 0.6868 -5.4387 3 99.8661171 89503 3032819 9 281810 a-Alanine, conf. II
77626.8685 0.6868 -5.4387 3 99.8661171 89503 303281910 281811 a-Alanine, conf. II
77629.5541 1.3272 -5.2461 3 167.1242237 89503 303391723 391524 a-Alanine, conf. II
77715.0813 3.2203 -5.3487 3 268.1243303 89503 303501932 501833 a-Alanine, conf. II
77752.4301 13.5836 -5.1122 3 349.1974345 89503 303572136 572137 a-Alanine, conf. II
77765.8963 1.1791 -5.3698 3 298.1623315 89503 303522330 522231 a-Alanine, conf. II
77843.3509 3.7644 -5.4133 3 340.8908339 89503 303562334 562235 a-Alanine, conf. II
77943.9876 0.2103 -4.8789 3 106.4535201 89503 30333 726 33 727 a-Alanine, conf. II
77943.9916 0.2103 -5.4294 3 106.4535201 89503 30333 726 33 627 a-Alanine, conf. II
77944.0693 0.2103 -5.4294 3 106.4535201 89503 30333 826 33 727 a-Alanine, conf. II
77944.0732 0.2103 -4.8789 3 106.4535201 89503 30333 826 33 627 a-Alanine, conf. II
77947.5871 16.4506 -5.4700 3 374.6569357 89503 303592237 592138 a-Alanine, conf. II
77984.7667 0.7050 -5.4665 3 94.5429165 89503 3032719 8 2718 9 a-Alanine, conf. II
77984.7678 0.7050 -5.4665 3 94.5429165 89503 3032719 9 271810 a-Alanine, conf. II
78002.5519 1.3976 -5.3185 3 214.4448273 89503 303451630 451531 a-Alanine, conf. II
78003.0818 0.1758 -5.7286 3 49.9172129 89503 303211110 21 913 a-Alanine, conf. II
78044.9601 0.9005 -5.3075 3 200.4346255 89503 303422121 422022 a-Alanine, conf. II
78068.3766 1.3823 -4.8926 3 214.4426273 89503 303451630 451431 a-Alanine, conf. II
78087.8332 1.1379 -5.3263 3 246.7276285 89503 303472226 472127 a-Alanine, conf. II
78150.6998 4.8285 -5.3974 3 327.3282333 89503 303552234 552135 a-Alanine, conf. II
78164.7565 43.7223 -5.6381 3 498.6130411 89503 303682642 682543 a-Alanine, conf. II
78219.4557 0.8625 -5.3056 3 200.4280255 89503 303422122 422023 a-Alanine, conf. II
78231.0165 0.7067 -5.3190 3 152.1271219 89503 303362016 361917 a-Alanine, conf. II
78236.6246 0.7061 -5.3190 3 152.1269219 89503 303362017 361918 a-Alanine, conf. II
78272.0356 0.1761 -5.7089 3 69.5391171 89503 30328 325 28 226 a-Alanine, conf. II
78272.0356 0.1761 -5.1088 3 69.5391171 89503 30328 325 28 326 a-Alanine, conf. II
78272.0356 0.1761 -5.1088 3 69.5391171 89503 30328 425 28 226 a-Alanine, conf. II
78272.0356 0.1761 -5.7089 3 69.5391171 89503 30328 425 28 326 a-Alanine, conf. II
78301.7736 0.7234 -5.5000 3 89.4174159 89503 3032619 7 2618 8 a-Alanine, conf. II
78301.7738 0.7234 -5.5000 3 89.4174159 89503 3032619 8 2618 9 a-Alanine, conf. II
78323.5093 0.1843 -5.6849 3 54.1660135 89503 303221111 22 914 a-Alanine, conf. II
78357.4634 0.0136 -4.1472 3 16.9083 81 89503 30313 5 8 12 5 7 a-Alanine, conf. II
78368.4714 2.2622 -4.9157 3 234.7051285 89503 303471631 471632 a-Alanine, conf. II
78372.2761 2.8939 -4.9813 3 268.1024303 89503 303501932 501733 a-Alanine, conf. II
78403.9791 1.8139 -5.2040 3 193.2269255 89503 303421825 421626 a-Alanine, conf. II
78467.4368 0.1247 -5.8496 3 50.2231135 89503 30322 715 21 912 a-Alanine, conf. II
78481.8711 2.2243 -5.3257 3 234.7013285 89503 303471631 471532 a-Alanine, conf. II
78494.0350 0.0125 -5.6179 3 16.4354 81 89503 30313 5 9 12 4 8 a-Alanine, conf. II
78500.6398 2.5461 -5.3522 3 278.0646303 89503 303502327 502228 a-Alanine, conf. II
78520.3433 0.0691 -6.1538 3 43.2341123 89503 30320 912 1910 9 a-Alanine, conf. II
78527.4370 0.0074 -4.1278 3 19.0537 87 89503 30314 510 13 5 9 a-Alanine, conf. II
78537.8830 0.1729 -5.7883 3 45.8533123 89503 3032011 9 20 912 a-Alanine, conf. II
78540.0325 0.0084 -5.1719 3 20.7507 99 89503 30316 115 15 214 a-Alanine, conf. II
78540.0506 0.0084 -4.0264 3 20.7507 99 89503 30316 215 15 214 a-Alanine, conf. II
78540.0910 0.0084 -4.0264 3 20.7507 99 89503 30316 115 15 114 a-Alanine, conf. II
78540.1091 0.0084 -5.1719 3 20.7507 99 89503 30316 215 15 114 a-Alanine, conf. II
78581.9000 0.7417 -5.5407 3 84.4886153 89503 3032519 6 2518 7 a-Alanine, conf. II
78581.9000 0.7417 -5.5407 3 84.4886153 89503 3032519 7 2518 8 a-Alanine, conf. II
78651.5925 0.0085 -6.1476 3 5.3340 51 89503 303 8 4 5 7 2 6 a-Alanine, conf. II
78687.7531 0.0289 -5.4981 3 9.3706 57 89503 303 9 7 3 8 6 2 a-Alanine, conf. II
78706.9440 0.0290 -5.4979 3 9.3701 57 89503 303 9 7 2 8 6 3 a-Alanine, conf. II
78768.3314 0.1907 -4.8381 3 130.3544219 89503 30336 927 36 928 a-Alanine, conf. II
78768.4021 0.1907 -5.3620 3 130.3544219 89503 30336 927 36 828 a-Alanine, conf. II
78769.4367 0.1908 -5.3620 3 130.3544219 89503 303361027 36 928 a-Alanine, conf. II
78769.5074 0.1908 -4.8381 3 130.3544219 89503 303361027 36 828 a-Alanine, conf. II
78792.0712 4.1016 -5.3587 3 290.6031315 89503 303522033 521934 a-Alanine, conf. II
78792.6265 0.6723 -4.8496 3 184.3731255 89503 303421329 421330 a-Alanine, conf. II
78801.2552 0.6714 -5.3122 3 184.3728255 89503 303421329 421230 a-Alanine, conf. II
78824.4380 76.7763 -5.7953 3 606.6218453 89503 303752946 752847 a-Alanine, conf. II
78824.5406 9.6143 -5.0554 3 324.5461333 89503 303552035 552036 a-Alanine, conf. II
78828.7231 0.7598 -5.5906 3 79.7557147 89503 3032419 5 2418 6 a-Alanine, conf. II
78828.7231 0.7598 -5.5906 3 79.7557147 89503 3032419 6 2418 7 a-Alanine, conf. II
78877.7678 0.6618 -5.3114 3 184.3731255 89503 303421429 421330 a-Alanine, conf. II
78881.3470 1.3408 -5.3172 3 237.5844279 89503 303462224 462125 a-Alanine, conf. II
78882.1486 77.8072 -6.1065 3 800.5538519 89503 303863551 863452 a-Alanine, conf. II
78886.3965 0.6609 -4.8486 3 184.3728255 89503 303421429 421230 a-Alanine, conf. II
78924.5096 0.1734 -5.8593 3 62.3369165 89503 30327 225 27 126 a-Alanine, conf. II
78924.5096 0.1734 -5.2480 3 62.3369165 89503 30327 225 27 226 a-Alanine, conf. II
78924.5096 0.1734 -5.2480 3 62.3369165 89503 30327 325 27 126 a-Alanine, conf. II
78924.5096 0.1734 -5.8593 3 62.3369165 89503 30327 325 27 226 a-Alanine, conf. II
78936.8370114.9528 -5.9825 3 724.9765495 89503 303823250 823151 a-Alanine, conf. II
78964.4428 0.0518 -4.9303 3 29.2546 87 89503 3031413 1 1313 0 a-Alanine, conf. II
78964.4428 0.0518 -4.9303 3 29.2546 87 89503 3031413 2 1313 1 a-Alanine, conf. II
78972.7288 0.7152 -5.3224 3 145.2092213 89503 303352015 351916 a-Alanine, conf. II
78973.4840 0.2229 -4.9016 3 98.0587195 89503 30332 626 32 627 a-Alanine, conf. II
78973.4844 0.2229 -5.4661 3 98.0587195 89503 30332 626 32 527 a-Alanine, conf. II
78973.4954 0.2229 -5.4661 3 98.0587195 89503 30332 726 32 627 a-Alanine, conf. II
78973.4958 0.2229 -4.9016 3 98.0587195 89503 30332 726 32 527 a-Alanine, conf. II
78974.6563 0.7150 -5.3224 3 145.2092213 89503 303352016 351917 a-Alanine, conf. II
79015.2212 3.2910 -4.9392 3 255.8471297 89503 303491732 491733 a-Alanine, conf. II
79019.6035 12.1914 -5.4291 3 349.1551345 89503 303572136 572037 a-Alanine, conf. II
79020.0723202.7821 -5.8107 3 741.6663501 89503 303833251 833252 a-Alanine, conf. II
79027.7620 1.3526 -5.3509 3 287.9689309 89503 303512329 512230 a-Alanine, conf. II
79045.4549 0.7777 -5.6529 3 75.2180141 89503 3032319 4 2318 5 a-Alanine, conf. II
79045.4549 0.7777 -5.6529 3 75.2180141 89503 3032319 5 2318 6 a-Alanine, conf. II
79075.2640 0.0156 -5.6208 3 10.3495 63 89503 30310 6 5 9 5 4 a-Alanine, conf. II
79100.2025 0.2687 -4.8299 3 156.3349237 89503 303391128 391129 a-Alanine, conf. II
79101.0993 0.2687 -5.3249 3 156.3348237 89503 303391128 391029 a-Alanine, conf. II
79103.5431 0.0419 -4.6404 3 27.4603 87 89503 3031412 3 1312 2 a-Alanine, conf. II
79103.5433 0.0419 -4.6404 3 27.4603 87 89503 3031412 2 1312 1 a-Alanine, conf. II
79111.2108 0.2686 -5.3248 3 156.3349237 89503 303391228 391129 a-Alanine, conf. II
79112.1075 0.2686 -4.8298 3 156.3348237 89503 303391228 391029 a-Alanine, conf. II
79150.3853 77.4649 -6.0155 3 746.7059501 89503 303833449 833350 a-Alanine, conf. II
79206.2871 3.2056 -5.3337 3 255.8407297 89503 303491732 491633 a-Alanine, conf. II
79213.5465 1.9789 -5.3179 3 234.7051285 89503 303471731 471632 a-Alanine, conf. II
79235.0001 0.7951 -5.7329 3 70.8746135 89503 3032219 3 2218 4 a-Alanine, conf. II
79235.0001 0.7951 -5.7329 3 70.8746135 89503 3032219 4 2218 5 a-Alanine, conf. II
79284.4214 0.0330 -4.4760 3 25.8147 87 89503 3031411 4 1311 3 a-Alanine, conf. II
79284.4330 0.0330 -4.4760 3 25.8147 87 89503 3031411 3 1311 2 a-Alanine, conf. II
79291.1401 0.8568 -5.2981 3 192.2914249 89503 303412120 412021 a-Alanine, conf. II
79325.6991 6.7634 -5.0083 3 300.7694321 89503 303531934 531935 a-Alanine, conf. II
79326.9462 1.9419 -4.9058 3 234.7013285 89503 303471731 471532 a-Alanine, conf. II
79346.6765 2.3013 -5.1717 3 221.2059273 89503 303451927 451728 a-Alanine, conf. II
79359.0565 4.7340 -4.9699 3 277.8692309 89503 303511833 511834 a-Alanine, conf. II
79363.6433 0.8423 -5.2974 3 192.2887249 89503 303412121 412022 a-Alanine, conf. II
79366.8740 2.1444 -5.4162 3 354.6707345 89503 303572434 572335 a-Alanine, conf. II
79368.7828 0.0130 -5.6756 3 7.7020 57 89503 303 9 5 4 8 3 5 a-Alanine, conf. II
79400.0019 0.8120 -5.8410 3 66.7248129 89503 3032119 2 2118 3 a-Alanine, conf. II
79400.0019 0.8120 -5.8410 3 66.7248129 89503 3032119 3 2118 4 a-Alanine, conf. II
79438.6383 0.1909 -5.7994 3 52.8972135 89503 303221012 22 815 a-Alanine, conf. II
79479.0099 1.2293 -5.4028 3 343.4874339 89503 303562433 562334 a-Alanine, conf. II
79503.4383 0.1803 -6.1356 3 55.3741159 89503 30326 125 26 026 a-Alanine, conf. II
79503.4383 0.1803 -5.5136 3 55.3741159 89503 30326 125 26 126 a-Alanine, conf. II
79503.4383 0.1803 -5.5136 3 55.3741159 89503 30326 225 26 026 a-Alanine, conf. II
79503.4383 0.1803 -6.1356 3 55.3741159 89503 30326 225 26 126 a-Alanine, conf. II
79514.3661 1.1082 -5.3105 3 237.5600279 89503 303462225 462126 a-Alanine, conf. II
79526.7938 0.0251 -4.3630 3 24.3196 87 89503 3031410 5 1310 4 a-Alanine, conf. II
79527.1936 0.0251 -4.3630 3 24.3196 87 89503 3031410 4 1310 3 a-Alanine, conf. II
79530.5130 0.1754 -5.8609 3 41.9818117 89503 3031911 8 19 911 a-Alanine, conf. II
79532.7247 0.0185 -5.8747 3 9.6579 63 89503 30310 5 5 9 4 6 a-Alanine, conf. II
79542.8780 0.8285 -6.0000 3 62.7681123 89503 3032019 1 2018 2 a-Alanine, conf. II
79542.8780 0.8285 -6.0000 3 62.7681123 89503 3032019 2 2018 3 a-Alanine, conf. II
79580.3135 0.1999 -6.1372 3 75.2533165 89503 30327 819 261016 a-Alanine, conf. II
79609.4136 0.2271 -6.0707 3 67.3498153 89503 303251015 241212 a-Alanine, conf. II
79622.4772 0.1777 -5.9552 3 38.3443111 89503 3031811 8 18 9 9 a-Alanine, conf. II
79633.7285 0.7274 -5.3286 3 138.4966207 89503 303342014 341915 a-Alanine, conf. II
79634.3572 0.7273 -5.3286 3 138.4966207 89503 303342015 341916 a-Alanine, conf. II
79636.0738 8.8803 -5.3951 3 324.5190333 89503 303552035 551936 a-Alanine, conf. II
79674.4213 4.5513 -5.3478 3 277.8587309 89503 303511833 511734 a-Alanine, conf. II
79695.0331 71.1719 -5.9267 3 694.7140483 89503 303803347 803248 a-Alanine, conf. II
79698.2717 5.3927 -5.4118 3 352.0123345 89503 303572335 572236 a-Alanine, conf. II
79707.2452 0.0619 -6.0413 3 30.4358105 89503 30317 710 16 8 9 a-Alanine, conf. II
79831.6667 3.4500 -5.0068 3 290.5685315 89503 303522033 521834 a-Alanine, conf. II
79836.2662 6.3900 -5.3682 3 300.7524321 89503 303531934 531835 a-Alanine, conf. II
79840.8722 1.0817 -5.1019 3 293.0416315 89503 303522132 521933 a-Alanine, conf. II
79844.7646 2.1709 -5.0689 3 303.4154321 89503 303532133 531934 a-Alanine, conf. II
79862.2694 0.0186 -4.2782 3 22.9779 87 89503 30314 9 6 13 9 5 a-Alanine, conf. II
79871.2038 0.0186 -4.2781 3 22.9780 87 89503 30314 9 5 13 9 4 a-Alanine, conf. II
79885.9807 5.0676 -5.3718 3 313.9582327 89503 303542134 542035 a-Alanine, conf. II
79888.1114 0.2273 -5.5165 3 89.8934189 89503 30331 526 31 427 a-Alanine, conf. II
79888.1114 0.2273 -4.9388 3 89.8934189 89503 30331 526 31 527 a-Alanine, conf. II
79888.1127 0.2273 -5.5165 3 89.8934189 89503 30331 626 31 527 a-Alanine, conf. II
79888.1128 0.2273 -4.9388 3 89.8934189 89503 30331 626 31 427 a-Alanine, conf. II
79916.8548 0.0073 -4.1068 3 18.9604 87 89503 30314 410 13 4 9 a-Alanine, conf. II
79936.4431 32.2563 -5.2467 3 440.8051387 89503 303642440 642441 a-Alanine, conf. II
79944.2300293.0139 -5.9724 3 833.1292531 89503 303883454 883455 a-Alanine, conf. II
79962.2296 3.9632 -5.3732 3 311.2379321 89503 303532429 532330 a-Alanine, conf. II
79982.6590 69.5140 -5.4317 3 542.9029429 89503 303712744 712745 a-Alanine, conf. II
79984.8811 0.2987 -5.5616 3 76.1441159 89503 303261314 261115 a-Alanine, conf. II
79990.7310 0.1191 -5.8098 3 51.2103135 89503 30322 814 211011 a-Alanine, conf. II
79996.5134 3.7741 -5.4247 3 366.0352351 89503 303582435 582336 a-Alanine, conf. II
80006.2443 0.1982 -5.6630 3 58.5912141 89503 303231112 23 915 a-Alanine, conf. II
80008.3301 0.0159 -5.0780 3 21.7677105 89503 30317 017 16 116 a-Alanine, conf. II
80008.3520 0.0400 -3.9704 3 21.7677105 -89503 30317 117 16 116 a-Alanine, conf. II
80008.3520 0.0400 -3.9704 3 21.7677105 -89503 30317 017 16 016 a-Alanine, conf. II
80008.3303 0.0159 -5.0780 3 21.7677105 89503 30317 117 16 016 a-Alanine, conf. II
80039.1961 0.2178 -4.8402 3 121.2490213 89503 30335 827 35 828 a-Alanine, conf. II
80039.2065 0.2178 -5.3799 3 121.2490213 89503 30335 827 35 728 a-Alanine, conf. II
80039.3877 0.2178 -5.3799 3 121.2490213 89503 30335 927 35 828 a-Alanine, conf. II
80039.3981 0.2178 -4.8402 3 121.2490213 89503 30335 927 35 728 a-Alanine, conf. II
80180.8685 1.0479 -4.8532 3 203.2820267 89503 303441430 441431 a-Alanine, conf. II
80196.8714 1.0450 -5.3032 3 203.2815267 89503 303441430 441331 a-Alanine, conf. II
80203.8311 1.2684 -5.3854 3 332.4958333 89503 303552432 552333 a-Alanine, conf. II
80224.2067 0.7423 -5.3375 3 131.9877201 89503 303332013 331914 a-Alanine, conf. II
80224.4008 0.7423 -5.3375 3 131.9877201 89503 303332014 331915 a-Alanine, conf. II
80232.3479 0.0079 -5.3357 3 20.6803 93 89503 30315 312 14 411 a-Alanine, conf. II
80282.6750 0.0400 -4.0655 3 20.6803 93 -89503 30315 412 14 411 a-Alanine, conf. II
80313.6991 0.0140 -4.2111 3 21.7944 87 89503 30314 8 7 13 8 6 a-Alanine, conf. II
80327.7299 1.0190 -5.3018 3 203.2820267 89503 303441530 441431 a-Alanine, conf. II
80332.1296 0.0093 -4.1288 3 19.8871 87 89503 30314 6 9 13 6 8 a-Alanine, conf. II
80343.7327 1.0161 -4.8515 3 203.2815267 89503 303441530 441331 a-Alanine, conf. II
80345.1439 2.7095 -5.3218 3 255.8471297 89503 303491832 491733 a-Alanine, conf. II
80361.6570 0.0079 -4.0645 3 20.6760 93 89503 30315 312 14 311 a-Alanine, conf. II
80368.5202 0.8353 -5.2919 3 184.3624243 89503 303402119 402020 a-Alanine, conf. II
80397.0243 0.0182 -5.6149 3 10.3148 63 89503 30310 6 4 9 5 5 a-Alanine, conf. II
80397.2964 0.8300 -5.2916 3 184.3613243 89503 303402120 402021 a-Alanine, conf. II
80398.9998 61.3815 -5.8409 3 644.5855465 89503 303773245 773146 a-Alanine, conf. II
80411.9614 0.0079 -5.3335 3 20.6760 93 89503 30315 412 14 311 a-Alanine, conf. II
80415.5544 35.2836 -5.5766 3 469.2446399 89503 303662541 662442 a-Alanine, conf. II
80441.7408 0.0149 -4.2097 3 21.7963 87 89503 30314 8 6 13 8 5 a-Alanine, conf. II
80472.5296 1.4146 -5.3316 3 277.9865303 89503 303502328 502229 a-Alanine, conf. II
80536.2098 2.6258 -4.9238 3 255.8407297 89503 303491832 491633 a-Alanine, conf. II
80559.0280 2.6730 -5.1485 3 251.0558291 89503 303482029 481830 a-Alanine, conf. II
80587.0943 1.1608 -5.2995 3 228.6191273 89503 303452223 452124 a-Alanine, conf. II
80673.2840 0.2031 -4.8164 3 146.5302231 89503 303381028 381029 a-Alanine, conf. II
80673.4447 0.2031 -5.3292 3 146.5302231 89503 303381028 38 929 a-Alanine, conf. II
80675.5623 0.2032 -5.3292 3 146.5302231 89503 303381128 381029 a-Alanine, conf. II
80675.7231 0.2032 -4.8164 3 146.5302231 89503 303381128 38 929 a-Alanine, conf. II
80693.0829 0.1820 -5.9463 3 38.3089111 89503 3031811 7 18 910 a-Alanine, conf. II
80702.4510 0.2249 -5.5858 3 81.9603183 89503 30330 426 30 327 a-Alanine, conf. II
80702.4510 0.2249 -4.9958 3 81.9603183 89503 30330 426 30 427 a-Alanine, conf. II
80702.4512 0.2249 -4.9958 3 81.9603183 89503 30330 526 30 327 a-Alanine, conf. II
80702.4512 0.2249 -5.5858 3 81.9603183 89503 30330 526 30 427 a-Alanine, conf. II
80705.4467 0.0116 -4.1589 3 20.7720 87 89503 30314 7 8 13 7 7 a-Alanine, conf. II
80752.2883 0.7591 -5.3495 3 125.6812195 89503 303322012 321913 a-Alanine, conf. II
80752.3449 0.7591 -5.3495 3 125.6812195 89503 303322013 321914 a-Alanine, conf. II
80782.1523 0.4361 -4.8215 3 173.8820249 89503 303411229 411230 a-Alanine, conf. II
80783.9702 0.4360 -5.3048 3 173.8820249 89503 303411229 411130 a-Alanine, conf. II
80802.7202 0.4347 -5.3047 3 173.8820249 89503 303411329 411230 a-Alanine, conf. II
80804.5381 0.4346 -4.8213 3 173.8820249 89503 303411329 411130 a-Alanine, conf. II
80873.0890 1.0654 -5.2965 3 228.6082273 89503 303452224 452125 a-Alanine, conf. II
80997.8170 1.9172 -5.3231 3 268.2565297 89503 303492326 492227 a-Alanine, conf. II
81021.5175 0.0143 -6.0450 3 5.8953 51 89503 303 8 5 4 7 3 5 a-Alanine, conf. II
81030.4596 6.0719 -5.3877 3 338.1879339 89503 303562235 562136 a-Alanine, conf. II
81109.6324 6.1776 -5.4035 3 346.3004339 89503 303562531 562432 a-Alanine, conf. II
81139.9158 50.1407 -5.7591 3 596.3269447 89503 303743143 743044 a-Alanine, conf. II
81165.9906 0.2461 -4.8522 3 112.3673207 89503 30334 727 34 728 a-Alanine, conf. II
81165.9920 0.2461 -5.4063 3 112.3673207 89503 30334 727 34 628 a-Alanine, conf. II
81166.0200 0.2461 -5.4063 3 112.3673207 89503 30334 827 34 728 a-Alanine, conf. II
81166.0213 0.2461 -4.8522 3 112.3673207 89503 30334 827 34 628 a-Alanine, conf. II
81167.8941 0.0299 -5.6808 3 22.5667 93 89503 30315 510 14 6 9 a-Alanine, conf. II
81224.6997 0.7774 -5.3647 3 119.5757189 89503 303312011 311912 a-Alanine, conf. II
81224.7152 0.7774 -5.3647 3 119.5757189 89503 303312012 311913 a-Alanine, conf. II
81315.4495 0.8273 -5.2883 3 176.6446237 89503 303392118 392019 a-Alanine, conf. II
81325.3404 0.0119 -5.5103 3 18.9604 87 89503 30314 510 13 4 9 a-Alanine, conf. II
81326.3599 0.8255 -5.2882 3 176.6442237 89503 303392119 392020 a-Alanine, conf. II
81369.4774 1.5729 -5.3654 3 321.7056327 89503 303542431 542332 a-Alanine, conf. II
81409.3787 3.6008 -5.3299 3 277.8692309 89503 303511933 511834 a-Alanine, conf. II
81423.6759 5.7744 -5.4279 3 377.5704357 89503 303592436 592337 a-Alanine, conf. II
81428.1632 0.1898 -6.0495 3 34.8516105 89503 3031711 7 17 9 8 a-Alanine, conf. II
81428.3698 0.2189 -5.6841 3 74.2622177 89503 30329 326 29 227 a-Alanine, conf. II
81428.3698 0.2189 -5.0827 3 74.2622177 89503 30329 326 29 327 a-Alanine, conf. II
81428.3699 0.2189 -5.0827 3 74.2622177 89503 30329 426 29 227 a-Alanine, conf. II
81428.3699 0.2189 -5.6841 3 74.2622177 89503 30329 426 29 327 a-Alanine, conf. II
81435.3349 1.5718 -4.8626 3 223.0771279 89503 303461531 461532 a-Alanine, conf. II
81464.2125 1.5640 -5.2997 3 223.0762279 89503 303461531 461432 a-Alanine, conf. II
81499.4162 3.8212 -5.0356 3 313.9043327 89503 303542134 541935 a-Alanine, conf. II
81503.5025153.5326 -6.1122 3 815.3790525 89503 303873453 873354 a-Alanine, conf. II
81569.0727 66.7131 -5.7231 3 574.2735441 89503 303732845 732746 a-Alanine, conf. II
81647.1525 0.7966 -5.3835 3 113.6703183 89503 303302010 301911 a-Alanine, conf. II
81647.1564 0.7966 -5.3835 3 113.6703183 89503 303302011 301912 a-Alanine, conf. II
81682.6475 1.5016 -5.2974 3 223.0771279 89503 303461631 461532 a-Alanine, conf. II
81698.4869 0.0078 -5.2011 3 22.1217 99 89503 30316 214 15 313 a-Alanine, conf. II
81699.2634 0.0078 -4.0095 3 22.1217 99 89503 30316 314 15 313 a-Alanine, conf. II
81700.7590 0.0400 -4.0094 3 22.1216 99 -89503 30316 214 15 213 a-Alanine, conf. II
81701.5628 0.0078 -5.2010 3 22.1216 99 89503 30316 314 15 213 a-Alanine, conf. II
81704.0241110.0237 -5.9039 3 689.6768483 89503 303803149 803050 a-Alanine, conf. II
81711.5251 1.4940 -4.8598 3 223.0762279 89503 303461631 461432 a-Alanine, conf. II
81724.7434 3.4216 -4.9462 3 277.8587309 89503 303511933 511734 a-Alanine, conf. II
81732.8484 0.2183 -5.7161 3 55.5470135 89503 303221211 221012 a-Alanine, conf. II
81767.9806 0.0178 -4.1466 3 20.7948 87 89503 30314 7 7 13 7 6 a-Alanine, conf. II
81799.9616 39.0059 -5.6822 3 549.9442429 89503 303713041 712942 a-Alanine, conf. II
81803.0360 0.0502 -5.8616 3 26.3521 99 89503 30316 610 15 7 9 a-Alanine, conf. II
81839.7324 0.1915 -6.0459 3 34.8379105 89503 3031711 6 17 9 9 a-Alanine, conf. II
81918.6787 9.4967 -5.4428 3 383.2525357 89503 303592633 592534 a-Alanine, conf. II
81967.5274 1.3939 -5.3131 3 268.2188297 89503 303492327 492228 a-Alanine, conf. II
82006.9716 1.0628 -5.2860 3 219.8761267 89503 303442222 442123 a-Alanine, conf. II
82024.5829 0.8164 -5.4065 3 107.9639177 89503 3032920 9 291910 a-Alanine, conf. II
82024.5838 0.8164 -5.4065 3 107.9639177 89503 303292010 291911 a-Alanine, conf. II
82057.3321 0.2123 -4.8112 3 136.9427225 89503 30337 928 37 929 a-Alanine, conf. II
82057.3579 0.2123 -5.3401 3 136.9427225 89503 30337 928 37 829 a-Alanine, conf. II
82057.7566 0.2123 -5.3401 3 136.9427225 89503 303371028 37 929 a-Alanine, conf. II
82057.7824 0.2123 -4.8112 3 136.9427225 89503 303371028 37 829 a-Alanine, conf. II
82075.7285 0.2137 -5.8345 3 66.8013171 89503 30328 226 28 127 a-Alanine, conf. II
82075.7285 0.2137 -5.2222 3 66.8013171 89503 30328 226 28 227 a-Alanine, conf. II
82075.7285 0.2137 -5.2222 3 66.8013171 89503 30328 326 28 127 a-Alanine, conf. II
82075.7285 0.2137 -5.8345 3 66.8013171 89503 30328 326 28 227 a-Alanine, conf. II
82109.4017 2.7880 -5.1342 3 282.7723309 89503 303512131 511932 a-Alanine, conf. II
82119.5096 23.5589 -5.1696 3 413.1177375 89503 303622339 622340 a-Alanine, conf. II
82130.4060 1.0254 -5.2847 3 219.8715267 89503 303442223 442124 a-Alanine, conf. II
82142.1971 0.0949 -6.1192 3 48.4703129 89503 303211011 201110 a-Alanine, conf. II
82149.9277 0.4147 -5.4690 3 94.0661177 89503 303291416 291217 a-Alanine, conf. II
82156.2336 0.8281 -5.2873 3 169.1356231 89503 303382117 382018 a-Alanine, conf. II
82160.1828 0.8275 -5.2873 3 169.1354231 89503 303382118 382019 a-Alanine, conf. II
82169.3494 0.2658 -4.8757 3 103.7126201 89503 30333 627 33 628 a-Alanine, conf. II
82169.3496 0.2658 -5.4432 3 103.7126201 89503 30333 627 33 528 a-Alanine, conf. II
82169.3534 0.2658 -5.4432 3 103.7126201 89503 30333 727 33 628 a-Alanine, conf. II
82169.3535 0.2658 -4.8757 3 103.7126201 89503 30333 727 33 528 a-Alanine, conf. II
82187.1186 1.8209 -5.4246 3 380.2864357 89503 303592535 592436 a-Alanine, conf. II
82262.0202 7.0480 -5.4060 3 363.2912351 89503 303582336 582237 a-Alanine, conf. II
82270.5573 27.4785 -5.5205 3 440.7272387 89503 303642440 642341 a-Alanine, conf. II
82275.6729 29.0131 -5.6113 3 505.4421411 89503 303682939 682840 a-Alanine, conf. II
82361.3131 0.8365 -5.4342 3 102.4554171 89503 3032820 8 2819 9 a-Alanine, conf. II
82361.3133 0.8365 -5.4342 3 102.4554171 89503 3032820 9 281910 a-Alanine, conf. II
82366.5235 0.7067 -4.8193 3 192.3196261 89503 303431330 431331 a-Alanine, conf. II
82370.0797 0.7062 -5.2909 3 192.3195261 89503 303431330 431231 a-Alanine, conf. II
82376.0410 14.2480 -5.4909 3 422.0941375 89503 303622735 622636 a-Alanine, conf. II
82378.3255 3.5344 -5.4376 3 392.0562363 89503 303602536 602437 a-Alanine, conf. II
82403.8159 0.7014 -5.2906 3 192.3196261 89503 303431430 431331 a-Alanine, conf. II
82407.3720 0.7009 -4.8189 3 192.3195261 89503 303431430 431231 a-Alanine, conf. II
82422.8080 4.6552 -5.3418 3 300.7694321 89503 303532034 531935 a-Alanine, conf. II
82485.8593 20.7108 -5.5472 3 462.8245393 89503 303652837 652738 a-Alanine, conf. II
82494.3281 0.2788 -4.8021 3 163.6004243 89503 303401129 401130 a-Alanine, conf. II
82494.6757 0.2788 -5.3038 3 163.6004243 89503 303401129 401030 a-Alanine, conf. II
82498.8399 0.2787 -5.3037 3 163.6004243 89503 303401229 401130 a-Alanine, conf. II
82499.1876 0.2787 -4.8020 3 163.6004243 89503 303401229 401030 a-Alanine, conf. II
82536.4751 2.2880 -4.8777 3 243.7566291 89503 303481632 481633 a-Alanine, conf. II
82587.3161 2.2690 -5.3015 3 243.7549291 89503 303481632 481533 a-Alanine, conf. II
82606.7486107.4954 -5.5466 3 621.7278459 89503 303762947 762948 a-Alanine, conf. II
82652.8624 0.2152 -6.1106 3 59.5799165 89503 30327 126 27 027 a-Alanine, conf. II
82652.8624 0.2152 -5.4881 3 59.5799165 89503 30327 126 27 127 a-Alanine, conf. II
82652.8624 0.2152 -5.4881 3 59.5799165 89503 30327 226 27 027 a-Alanine, conf. II
82652.8624 0.2152 -6.1106 3 59.5799165 89503 30327 226 27 127 a-Alanine, conf. II
82661.1678 0.8568 -5.4677 3 97.1442165 89503 3032720 7 2719 8 a-Alanine, conf. II
82661.1678 0.8568 -5.4677 3 97.1442165 89503 3032720 8 2719 9 a-Alanine, conf. II
82683.0369 1.3329 -5.4072 3 368.7036351 89503 303582534 582435 a-Alanine, conf. II
82708.1203 0.0111 -5.4314 3 21.6731 93 89503 30315 411 14 510 a-Alanine, conf. II
82733.1559 1.5080 -5.0981 3 327.1754333 89503 303552234 552035 a-Alanine, conf. II
82798.5002 1.7383 -5.3444 3 311.1240321 89503 303532430 532331 a-Alanine, conf. II
82894.1122 2.8527 -5.3380 3 300.8132315 89503 303522428 522329 a-Alanine, conf. II
82907.3392 0.8351 -5.2888 3 161.8334225 89503 303372116 372017 a-Alanine, conf. II
82908.7023 0.8349 -5.2887 3 161.8334225 89503 303372117 372018 a-Alanine, conf. II
82927.5607 0.8769 -5.5083 3 92.0292159 89503 3032620 6 2619 7 a-Alanine, conf. II
82927.5607 0.8769 -5.5083 3 92.0292159 89503 3032620 7 2619 8 a-Alanine, conf. II
82933.3750 4.2886 -4.9727 3 300.7524321 89503 303532034 531835 a-Alanine, conf. II
82943.8262 2.1314 -5.2979 3 243.7566291 89503 303481732 481633 a-Alanine, conf. II
82970.0475 1.5602 -5.3007 3 258.6848291 89503 303482325 482226 a-Alanine, conf. II
82994.6672 2.1126 -4.8732 3 243.7549291 89503 303481732 481533 a-Alanine, conf. II
83007.0023 0.3051 -6.0797 3 78.8231165 89503 303271116 261313 a-Alanine, conf. II
83021.7345 0.0139 -6.0285 3 6.7165 57 89503 303 9 3 6 8 1 7 a-Alanine, conf. II
83035.3230 0.0470 -5.3743 3 10.2942 57 89503 303 9 8 2 8 7 1 a-Alanine, conf. II
83035.7509 0.0470 -5.3743 3 10.2942 57 89503 303 9 8 1 8 7 2 a-Alanine, conf. II
83065.3373 0.2755 -5.4936 3 95.2879195 89503 30332 527 32 428 a-Alanine, conf. II
83065.3373 0.2755 -4.9136 3 95.2879195 89503 30332 527 32 528 a-Alanine, conf. II
83065.3377 0.2755 -4.9136 3 95.2879195 89503 30332 627 32 428 a-Alanine, conf. II
83065.3377 0.2755 -5.4936 3 95.2879195 89503 30332 627 32 528 a-Alanine, conf. II
83151.3106 0.0101 -5.0967 3 23.3705105 89503 30317 116 16 215 a-Alanine, conf. II
83151.3161 0.0101 -3.9548 3 23.3705105 89503 30317 216 16 215 a-Alanine, conf. II
83151.3287 0.0101 -3.9548 3 23.3705105 89503 30317 116 16 115 a-Alanine, conf. II
83151.3343 0.0101 -5.0967 3 23.3705105 89503 30317 216 16 115 a-Alanine, conf. II
83163.5632 0.8969 -5.5581 3 87.1098153 89503 3032520 5 2519 6 a-Alanine, conf. II
83163.5632 0.8969 -5.5581 3 87.1098153 89503 3032520 6 2519 7 a-Alanine, conf. II
83224.5742 1.0091 -5.2758 3 211.3503261 89503 303432221 432122 a-Alanine, conf. II
83275.5552 0.9949 -5.2753 3 211.3484261 89503 303432222 432123 a-Alanine, conf. II
83285.3131 0.2518 -4.8146 3 127.5763219 89503 30336 828 36 829 a-Alanine, conf. II
83285.3168 0.2518 -5.3584 3 127.5763219 89503 30336 828 36 729 a-Alanine, conf. II
83285.3839 0.2518 -5.3584 3 127.5763219 89503 30336 928 36 829 a-Alanine, conf. II
83285.3875 0.2518 -4.8146 3 127.5763219 89503 30336 928 36 729 a-Alanine, conf. II
83355.6200 5.8909 -5.4456 3 404.0022369 89503 303612537 612438 a-Alanine, conf. II
83357.4460 0.0400 -4.0471 3 21.6731 93 -89503 30315 511 14 510 a-Alanine, conf. II
83371.9568 0.9165 -5.6203 3 82.3852147 89503 3032420 4 2419 5 a-Alanine, conf. II
83371.9568 0.9165 -5.6203 3 82.3852147 89503 3032420 5 2419 6 a-Alanine, conf. II
83383.4890 0.0145 -5.6076 3 12.3108 69 89503 30311 6 6 10 5 5 a-Alanine, conf. II
83406.9966 5.8617 -5.3572 3 324.5461333 89503 303552135 552036 a-Alanine, conf. II
83423.6302 1.3350 -5.2961 3 258.6674291 89503 303482326 482227 a-Alanine, conf. II
83457.2756 3.2605 -4.8986 3 265.3186303 89503 303501733 501734 a-Alanine, conf. II
83487.7364 3.7858 -5.0674 3 338.1060339 89503 303562235 562036 a-Alanine, conf. II
83522.4065 52.4560 -5.3332 3 512.1942417 89503 303692643 692644 a-Alanine, conf. II
83544.7966 3.2166 -5.3086 3 265.3157303 89503 303501733 501634 a-Alanine, conf. II
83555.2759 0.9357 -5.7003 3 77.8546141 89503 3032320 3 2319 4 a-Alanine, conf. II
83555.2759 0.9357 -5.7003 3 77.8546141 89503 3032320 4 2319 5 a-Alanine, conf. II
83567.8661 17.0602 -5.1033 3 386.3000363 89503 303602238 602239 a-Alanine, conf. II
83580.7509 0.8465 -5.2927 3 154.7366219 89503 303362115 362016 a-Alanine, conf. II
83581.1987 0.8465 -5.2927 3 154.7365219 89503 303362116 362017 a-Alanine, conf. II
83618.3494 7.9087 -5.4263 3 389.2670363 89503 303602437 602338 a-Alanine, conf. II
83641.9569 0.2166 -5.6716 3 63.1846147 89503 303241113 24 916 a-Alanine, conf. II
83655.4593 20.8667 -5.4709 3 413.0664375 89503 303622339 622240 a-Alanine, conf. II
83677.6261 0.6002 -5.3934 3 113.8932195 89503 303321518 321319 a-Alanine, conf. II
83708.7221 1.7464 -5.3865 3 357.3181345 89503 303572533 572434 a-Alanine, conf. II
83715.8420 0.9544 -5.8083 3 73.5176135 89503 3032220 2 2219 3 a-Alanine, conf. II
83715.8420 0.9544 -5.8083 3 73.5176135 89503 3032220 3 2219 4 a-Alanine, conf. II
83830.9607 0.0119 -4.0599 3 19.5220 87 89503 30314 5 9 13 5 8 a-Alanine, conf. II
83847.0354 1.0967 -4.8229 3 211.6458273 89503 303451431 451432 a-Alanine, conf. II
83853.7768 1.0953 -5.2826 3 211.6456273 89503 303451431 451332 a-Alanine, conf. II
83855.7909 0.9725 -5.9673 3 69.3733129 89503 3032120 1 2119 2 a-Alanine, conf. II
83855.7909 0.9725 -5.9673 3 69.3733129 89503 3032120 2 2119 3 a-Alanine, conf. II
83866.8915 0.2763 -5.5628 3 87.0959189 89503 30331 427 31 328 a-Alanine, conf. II
83866.8915 0.2763 -4.9711 3 87.0959189 89503 30331 427 31 428 a-Alanine, conf. II
83866.8915 0.2763 -4.9711 3 87.0959189 89503 30331 527 31 328 a-Alanine, conf. II
83866.8915 0.2763 -5.5628 3 87.0959189 89503 30331 527 31 428 a-Alanine, conf. II
83872.7869 0.2065 -6.0287 3 47.4254129 89503 30321 912 21 715 a-Alanine, conf. II
83892.0673 0.0785 -6.0682 3 43.2238123 89503 30320 911 191010 a-Alanine, conf. II
83912.8601 1.0819 -5.2820 3 211.6458273 89503 303451531 451432 a-Alanine, conf. II
83919.6015 1.0805 -4.8222 3 211.6456273 89503 303451531 451332 a-Alanine, conf. II
83997.4558 0.2160 -4.7905 3 153.5330237 89503 303391029 391030 a-Alanine, conf. II
83997.5159 0.2160 -5.3088 3 153.5330237 89503 303391029 39 930 a-Alanine, conf. II
83998.3525 0.2160 -5.3088 3 153.5330237 89503 303391129 391030 a-Alanine, conf. II
83998.4126 0.2160 -4.7904 3 153.5330237 89503 303391129 39 930 a-Alanine, conf. II
84032.6863 2.5116 -5.1280 3 316.3517327 89503 303542233 542034 a-Alanine, conf. II
84071.0093 0.0212 -4.0777 3 20.0404 87 89503 30314 6 8 13 6 7 a-Alanine, conf. II
84114.4705 2.9308 -5.3029 3 265.3186303 89503 303501833 501734 a-Alanine, conf. II
84116.6200 0.0400 -4.0372 3 21.6261 93 -89503 30315 411 14 410 a-Alanine, conf. II
84131.2307 55.1564 -5.6541 3 542.7645429 89503 303712744 712645 a-Alanine, conf. II
84157.7913 0.0739 -6.0794 3 47.1100129 89503 30321 913 201010 a-Alanine, conf. II
84160.8044 4.5817 -4.9255 3 287.7612315 89503 303521834 521835 a-Alanine, conf. II
84185.7479 0.8613 -5.2992 3 147.8435213 89503 303352114 352015 a-Alanine, conf. II
84185.8876 0.8613 -5.2992 3 147.8435213 89503 303352115 352016 a-Alanine, conf. II
84201.9914 2.8874 -4.8914 3 265.3157303 89503 303501833 501634 a-Alanine, conf. II
84218.5298 5.1407 -5.0030 3 324.5190333 89503 303552135 551936 a-Alanine, conf. II
84227.1054 0.0280 -5.4582 3 11.0824 63 89503 30310 7 4 9 6 3 a-Alanine, conf. II
84229.1333 0.4538 -4.7943 3 181.5633255 89503 303421230 421231 a-Alanine, conf. II
84229.8544 0.4537 -5.2849 3 181.5632255 89503 303421230 421131 a-Alanine, conf. II
84237.7620 0.4531 -5.2848 3 181.5633255 89503 303421330 421231 a-Alanine, conf. II
84238.4831 0.4530 -4.7942 3 181.5632255 89503 303421330 421131 a-Alanine, conf. II
84290.4163 0.9805 -5.2684 3 203.0379255 89503 303422220 422121 a-Alanine, conf. II
84308.3862 4.4860 -5.3211 3 287.7562315 89503 303521834 521735 a-Alanine, conf. II
84310.5800 0.9753 -5.2682 3 203.0371255 89503 303422221 422122 a-Alanine, conf. II
84319.7366 0.0282 -5.4575 3 11.0799 63 89503 30310 7 3 9 6 4 a-Alanine, conf. II
84320.1408152.4759 -6.0288 3 777.9718513 89503 303853352 853253 a-Alanine, conf. II
84338.5796 1.7572 -5.3235 3 300.7563315 89503 303522429 522330 a-Alanine, conf. II
84380.5374 0.2904 -4.8275 3 118.4343213 89503 30335 728 35 729 a-Alanine, conf. II
84380.5378 0.2904 -5.3850 3 118.4343213 89503 30335 728 35 629 a-Alanine, conf. II
84380.5478 0.2904 -5.3850 3 118.4343213 89503 30335 828 35 729 a-Alanine, conf. II
84380.5483 0.2904 -4.8275 3 118.4343213 89503 30335 828 35 629 a-Alanine, conf. II
84388.6743 7.1904 -5.3758 3 349.1974345 89503 303572236 572137 a-Alanine, conf. II
84391.7757 12.3092 -5.0468 3 360.3537351 89503 303582137 582138 a-Alanine, conf. II
84544.6804 4.3453 -5.3618 3 335.2547333 89503 303552530 552431 a-Alanine, conf. II
84562.1515 15.5873 -5.4282 3 386.2668363 89503 303602238 602139 a-Alanine, conf. II
84584.6728 0.2711 -5.6611 3 79.1389183 89503 30330 327 30 228 a-Alanine, conf. II
84584.6728 0.2711 -5.0583 3 79.1389183 89503 30330 327 30 328 a-Alanine, conf. II
84584.6728 0.2711 -5.0583 3 79.1389183 89503 30330 427 30 228 a-Alanine, conf. II
84584.6728 0.2711 -5.6611 3 79.1389183 89503 30330 427 30 328 a-Alanine, conf. II
84588.1638 1.3607 -5.2832 3 249.3400285 89503 303472324 472225 a-Alanine, conf. II
84593.0146 0.0647 -4.8791 3 33.8267 93 89503 3031514 1 1414 0 a-Alanine, conf. II
84593.0146 0.0647 -4.8791 3 33.8267 93 89503 3031514 2 1414 1 a-Alanine, conf. II
84597.3964 6.3870 -4.9588 3 311.0825327 89503 303541935 541936 a-Alanine, conf. II
84619.1120 0.0400 -3.9022 3 24.4365111 -89503 30318 018 17 017 a-Alanine, conf. II
84619.1482 0.0186 -5.0089 3 24.4365111 89503 30318 018 17 117 a-Alanine, conf. II
84619.1482 0.0186 -5.0089 3 24.4365111 89503 30318 118 17 017 a-Alanine, conf. II
84619.1120 0.0400 -3.9022 3 24.4365111 -89503 30318 118 17 117 a-Alanine, conf. II
84677.1787 98.3035 -5.8254 3 655.2036471 89503 303783048 782949 a-Alanine, conf. II
84678.4994 0.2340 -5.5923 3 64.5252147 89503 303241212 241015 a-Alanine, conf. II
84683.3730 0.1851 -5.9510 3 70.0053159 89503 30326 818 251015 a-Alanine, conf. II
84688.8697 0.9098 -5.3311 3 135.6220213 89503 303351620 351421 a-Alanine, conf. II
84693.6367 0.0162 -5.4683 3 9.4858 63 89503 30310 5 5 9 3 6 a-Alanine, conf. II
84701.8869 8.8718 -4.9989 3 335.2806339 89503 303562036 562037 a-Alanine, conf. II
84728.3078 0.0533 -4.5879 3 31.8885 93 89503 3031513 2 1413 1 a-Alanine, conf. II
84728.3078 0.0533 -4.5879 3 31.8885 93 89503 3031513 3 1413 2 a-Alanine, conf. II
84729.8535 0.8786 -5.3084 3 141.1529207 89503 303342113 342014 a-Alanine, conf. II
84729.8948 0.8786 -5.3084 3 141.1529207 89503 303342114 342015 a-Alanine, conf. II
84752.3361161.7069 -5.6800 3 705.8185489 89503 303813150 813151 a-Alanine, conf. II
84765.9577 0.0106 -5.4039 3 21.6261 93 89503 30315 511 14 410 a-Alanine, conf. II
84790.9107 1.2689 -5.2812 3 249.3323285 89503 303472325 472226 a-Alanine, conf. II
84841.5157 6.1871 -5.3390 3 311.0743327 89503 303541935 541836 a-Alanine, conf. II
84874.5102 0.0089 -5.2441 3 23.3582 99 89503 30316 313 15 412 a-Alanine, conf. II
84893.3670 0.0400 -3.9919 3 23.3582 99 -89503 30316 413 15 412 a-Alanine, conf. II
84900.5520 0.0428 -4.4222 3 30.0989 93 89503 3031512 4 1412 3 a-Alanine, conf. II
84900.5538 0.0428 -4.4222 3 30.0989 93 89503 3031512 3 1412 2 a-Alanine, conf. II
84921.0503 0.2286 -5.6342 3 59.8737141 89503 303231211 231014 a-Alanine, conf. II
84924.7610 0.0400 -3.9915 3 23.3566 99 -89503 30316 313 15 312 a-Alanine, conf. II
84943.7045 0.0089 -5.2433 3 23.3566 99 89503 30316 413 15 312 a-Alanine, conf. II
84996.4041 3.0299 -5.4520 3 418.9543375 89503 303622637 622538 a-Alanine, conf. II
85024.9622 11.5273 -5.3921 3 360.3326351 89503 303582137 582038 a-Alanine, conf. II
85084.0426 2.0884 -5.3641 3 346.1385339 89503 303562532 562433 a-Alanine, conf. II
85098.4497 8.4696 -5.3625 3 335.2674339 89503 303562036 561937 a-Alanine, conf. II
85125.4013 0.0333 -4.3079 3 28.4593 93 89503 3031511 5 1411 4 a-Alanine, conf. II
85125.4714 0.0333 -4.3079 3 28.4593 93 89503 3031511 4 1411 3 a-Alanine, conf. II
85136.2644 8.5507 -5.4484 3 416.1144375 89503 303622538 622439 a-Alanine, conf. II
85167.8446 0.2259 -5.7670 3 51.2103129 89503 303211210 211011 a-Alanine, conf. II
85180.1616 2.1892 -5.3108 3 290.6321309 89503 303512427 512328 a-Alanine, conf. II
85200.3999 3.9207 -5.3123 3 287.7612315 89503 303521934 521835 a-Alanine, conf. II
85202.6012106.6669 -6.0300 3 783.2177513 89503 303853550 853451 a-Alanine, conf. II
85215.0631 1.6324 -4.8319 3 231.8588285 89503 303471532 471533 a-Alanine, conf. II
85219.3641 0.8977 -5.3205 3 134.6637201 89503 303332112 332013 a-Alanine, conf. II
85219.3756 0.8977 -5.3205 3 134.6637201 89503 303332113 332014 a-Alanine, conf. II
85225.3254 1.5545 -5.4348 3 406.7827369 89503 303612636 612537 a-Alanine, conf. II
85227.4905 1.6287 -5.2796 3 231.8584285 89503 303471532 471433 a-Alanine, conf. II
85227.6268 0.2641 -5.8113 3 71.4193177 89503 30329 227 29 128 a-Alanine, conf. II
85227.6268 0.2641 -5.1982 3 71.4193177 89503 30329 227 29 228 a-Alanine, conf. II
85227.6268 0.2641 -5.1982 3 71.4193177 89503 30329 327 29 128 a-Alanine, conf. II
85227.6268 0.2641 -5.8113 3 71.4193177 89503 30329 327 29 228 a-Alanine, conf. II
85235.7852 0.9674 -5.2634 3 194.9362249 89503 303412219 412120 a-Alanine, conf. II
85243.4218 0.9656 -5.2633 3 194.9360249 89503 303412220 412121 a-Alanine, conf. II
85323.0508 1.3938 -5.2799 3 159.2478231 89503 303381722 381523 a-Alanine, conf. II
85328.4628 1.5958 -5.2786 3 231.8588285 89503 303471632 471533 a-Alanine, conf. II
85330.9520 0.2404 -4.7866 3 143.6838231 89503 30338 929 38 930 a-Alanine, conf. II
85330.9613 0.2404 -5.3201 3 143.6838231 89503 30338 929 38 830 a-Alanine, conf. II
85331.1127 0.2404 -5.3201 3 143.6838231 89503 303381029 38 930 a-Alanine, conf. II
85331.1220 0.2404 -4.7866 3 143.6838231 89503 303381029 38 830 a-Alanine, conf. II
85340.8902 1.5921 -4.8307 3 231.8584285 89503 303471632 471433 a-Alanine, conf. II
85347.9817 3.8260 -4.9141 3 287.7562315 89503 303521934 521735 a-Alanine, conf. II
85360.7998 0.3183 -4.8518 3 109.5200207 89503 30334 628 34 629 a-Alanine, conf. II
85360.7999 0.3183 -5.4219 3 109.5200207 89503 30334 628 34 529 a-Alanine, conf. II
85360.8012 0.3183 -4.8518 3 109.5200207 89503 30334 728 34 529 a-Alanine, conf. II
85360.8012 0.3183 -5.4219 3 109.5200207 89503 30334 728 34 629 a-Alanine, conf. II
85399.4452 8.5877 -5.3972 3 374.7217357 89503 303592337 592238 a-Alanine, conf. II
85428.2720 0.0252 -4.2219 3 26.9723 93 89503 3031510 6 1410 5 a-Alanine, conf. II
85430.0913 0.0252 -4.2219 3 26.9723 93 89503 3031510 5 1410 4 a-Alanine, conf. II
85516.3889 5.6654 -5.4645 3 431.3080381 89503 303632638 632539 a-Alanine, conf. II
85587.2392 0.2428 -5.5670 3 69.3578153 89503 303251213 251016 a-Alanine, conf. II
85642.5291 0.2910 -5.5890 3 70.9346153 89503 303251313 251114 a-Alanine, conf. II
85655.8477 5.8229 -5.0367 3 349.1551345 89503 303572236 572037 a-Alanine, conf. II
85659.6639 0.9180 -5.3358 3 128.3748195 89503 303322111 322012 a-Alanine, conf. II
85659.6669 0.9180 -5.3358 3 128.3748195 89503 303322112 322013 a-Alanine, conf. II
85684.3815 0.0101 -4.0393 3 22.5667 93 89503 30315 610 14 6 9 a-Alanine, conf. II
85730.0125 2.0725 -5.2383 3 184.7651249 89503 303411824 411625 a-Alanine, conf. II
85803.3762 0.2604 -5.4642 3 63.9392171 89503 30328 127 28 128 a-Alanine, conf. II
85803.3762 0.2604 -5.4642 3 63.9392171 89503 30328 227 28 028 a-Alanine, conf. II
85844.9648 0.0188 -4.1535 3 25.6419 93 89503 30315 9 7 14 9 6 a-Alanine, conf. II
85845.4611 0.2280 -5.6882 3 55.4118135 89503 303221210 221013 a-Alanine, conf. II
85858.2615 0.2862 -4.7769 3 171.0180249 89503 303411130 411131 a-Alanine, conf. II
85858.3944 0.2862 -5.2847 3 171.0180249 89503 303411130 411031 a-Alanine, conf. II
85860.0794 0.2862 -5.2847 3 171.0180249 89503 303411230 411131 a-Alanine, conf. II
85860.2123 0.2862 -4.7769 3 171.0180249 89503 303411230 411031 a-Alanine, conf. II
85874.5865 0.7383 -4.7925 3 200.4170267 89503 303441331 441332 a-Alanine, conf. II
85876.0285 0.7381 -5.2720 3 200.4170267 89503 303441331 441232 a-Alanine, conf. II
85876.5872 0.0191 -4.1532 3 25.6422 93 89503 30315 9 6 14 9 5 a-Alanine, conf. II
85878.6112 1.6918 -5.3039 3 290.6050309 89503 303512428 512329 a-Alanine, conf. II
85890.5893 0.7357 -5.2719 3 200.4170267 89503 303441431 441332 a-Alanine, conf. II
85892.0314 0.7355 -4.7924 3 200.4170267 89503 303441431 441232 a-Alanine, conf. II
85921.8599 6.6643 -5.3943 3 371.5814351 89503 303582632 582533 a-Alanine, conf. II
85933.8942 3.0508 -5.1018 3 363.1687351 89503 303582336 582137 a-Alanine, conf. II
85961.2312 1.2474 -5.2692 3 240.2156279 89503 303462323 462224 a-Alanine, conf. II
86008.5554 91.2642 -5.9355 3 729.9830495 89503 303823448 823349 a-Alanine, conf. II
86011.7687 0.1671 -5.7847 3 61.2599147 89503 30324 915 231112 a-Alanine, conf. II
86048.0571 1.2116 -5.2684 3 240.2123279 89503 303462324 462225 a-Alanine, conf. II
86055.4291 0.9393 -5.3547 3 122.2851189 89503 303312110 312011 a-Alanine, conf. II
86055.4298 0.9393 -5.3547 3 122.2851189 89503 303312111 312012 a-Alanine, conf. II
86061.2763 2.9207 -5.2055 3 212.1677267 89503 303441926 441727 a-Alanine, conf. II
86067.8291 1.8240 -5.4138 3 394.8040363 89503 303602635 602536 a-Alanine, conf. II
86081.1463 0.9647 -5.2608 3 187.0432243 89503 303402218 402119 a-Alanine, conf. II
86083.9142 0.9641 -5.2607 3 187.0431243 89503 303402219 402120 a-Alanine, conf. II
86154.5104 0.1176 -5.6650 3 55.5470141 89503 30323 815 221012 a-Alanine, conf. II
86178.1336 38.9817 -5.2465 3 482.3505405 89503 303672542 672543 a-Alanine, conf. II
86210.8319 5.1170 -5.3256 3 311.0825327 89503 303542035 541936 a-Alanine, conf. II
86240.2616 0.3338 -5.4723 3 100.8360201 89503 30333 528 33 429 a-Alanine, conf. II
86240.2616 0.3338 -4.8902 3 100.8360201 89503 30333 528 33 529 a-Alanine, conf. II
86240.2618 0.3338 -4.8902 3 100.8360201 89503 30333 628 33 429 a-Alanine, conf. II
86240.2618 0.3338 -5.4723 3 100.8360201 89503 30333 628 33 529 a-Alanine, conf. II
86307.4345 0.0090 -5.1232 3 24.8469105 89503 30317 215 16 314 a-Alanine, conf. II
86307.6919 0.0090 -3.9393 3 24.8469105 89503 30317 315 16 314 a-Alanine, conf. II
86308.2440 0.0400 -3.9393 3 24.8469105 -89503 30317 215 16 214 a-Alanine, conf. II
86308.4685 0.0090 -5.1232 3 24.8469105 89503 30317 315 16 214 a-Alanine, conf. II
86320.0633 43.9104 -5.5901 3 512.1009417 89503 303692643 692544 a-Alanine, conf. II
86334.5159 1.8294 -5.1296 3 351.7909345 89503 303572335 572136 a-Alanine, conf. II
86355.3831 0.0151 -4.0978 3 24.4734 93 89503 30315 8 8 14 8 7 a-Alanine, conf. II
86355.6704 0.3930 -6.0653 3 108.6665195 89503 303321221 311418 a-Alanine, conf. II
86369.0397237.4762 -5.8316 3 795.1563519 89503 303863353 863354 a-Alanine, conf. II
86386.1948 0.0215 -5.6337 3 8.9800 63 89503 30310 4 6 9 2 7 a-Alanine, conf. II
86410.7685 0.9611 -5.3775 3 116.3938183 89503 3033021 9 302010 a-Alanine, conf. II
86410.7686 0.9611 -5.3775 3 116.3938183 89503 303302110 302011 a-Alanine, conf. II
86454.9512 4.9192 -4.9411 3 311.0743327 89503 303542035 541836 a-Alanine, conf. II
86458.7233 2.3508 -4.8463 3 252.9568297 89503 303491633 491634 a-Alanine, conf. II
86460.3648 3.8576 -5.1811 3 241.4496285 89503 303472028 471829 a-Alanine, conf. II
86474.9655 9.9735 -5.4210 3 401.1178369 89503 303612438 612339 a-Alanine, conf. II
86481.0643 2.3414 -5.2817 3 252.9561297 89503 303491633 491534 a-Alanine, conf. II
86521.4552 0.2948 -4.7911 3 134.0566225 89503 30337 829 37 830 a-Alanine, conf. II
86521.4564 0.2948 -5.3386 3 134.0566225 89503 30337 829 37 730 a-Alanine, conf. II
86521.4810 0.2948 -5.3386 3 134.0566225 89503 30337 929 37 830 a-Alanine, conf. II
86521.4822 0.2948 -4.7911 3 134.0566225 89503 30337 929 37 730 a-Alanine, conf. II
86581.8096 0.0129 -4.0565 3 23.4640 93 89503 30315 7 9 14 7 8 a-Alanine, conf. II
86641.0170 2.2015 -5.3414 3 335.1712333 89503 303552531 552432 a-Alanine, conf. II
86649.7891 2.2674 -5.2801 3 252.9568297 89503 303491733 491634 a-Alanine, conf. II
86672.1302 2.2581 -4.8442 3 252.9561297 89503 303491733 491534 a-Alanine, conf. II
86707.2272 0.0178 -4.0941 3 24.4795 93 89503 30315 8 7 14 8 6 a-Alanine, conf. II
86716.6818 0.2242 -5.8598 3 57.2367141 89503 303231013 23 816 a-Alanine, conf. II
86720.1869 0.0930 -6.0416 3 52.5191135 89503 303221013 211110 a-Alanine, conf. II
86722.2038 82.4148 -5.4384 3 588.8738447 89503 303742846 742847 a-Alanine, conf. II
86729.3278 0.9833 -5.4052 3 110.6999177 89503 3032921 8 2920 9 a-Alanine, conf. II
86729.3279 0.9833 -5.4052 3 110.6999177 89503 3032921 9 292010 a-Alanine, conf. II
86773.4506 0.0141 -5.6009 3 14.4991 75 89503 30312 6 7 11 5 6 a-Alanine, conf. II
86814.0712 74.5161 -5.8451 3 678.6123477 89503 303793346 793247 a-Alanine, conf. II
86826.4287 0.0216 -5.6019 3 12.2246 69 89503 30311 6 5 10 5 6 a-Alanine, conf. II
86840.8423 0.9694 -5.2604 3 179.3570237 89503 303392217 392118 a-Alanine, conf. II
86841.8013 0.9692 -5.2604 3 179.3569237 89503 303392218 392119 a-Alanine, conf. II
86849.4955 8.8613 -5.4719 3 443.8331387 89503 303642639 642540 a-Alanine, conf. II
86998.4157 10.1560 -5.4353 3 409.7934369 89503 303612734 612635 a-Alanine, conf. II
87014.3688 1.0055 -5.4386 3 105.2027171 89503 3032821 7 2820 8 a-Alanine, conf. II
87014.3688 1.0055 -5.4386 3 105.2027171 89503 3032821 8 2820 9 a-Alanine, conf. II
87027.2802 1.8078 -5.2892 3 280.6831303 89503 303502426 502327 a-Alanine, conf. II
87030.4897 0.3383 -5.5414 3 92.3849195 89503 30332 428 32 329 a-Alanine, conf. II
87030.4897 0.3383 -4.9481 3 92.3849195 89503 30332 428 32 429 a-Alanine, conf. II
87030.4897 0.3383 -4.9481 3 92.3849195 89503 30332 528 32 329 a-Alanine, conf. II
87030.4897 0.3383 -5.5414 3 92.3849195 89503 30332 528 32 429 a-Alanine, conf. II
87052.8293 4.7448 -5.1649 3 272.6046303 89503 303502130 501931 a-Alanine, conf. II
87053.8172 0.0795 -5.9717 3 38.3089117 89503 30319 811 18 910 a-Alanine, conf. II
87096.1309 0.2323 -5.7525 3 51.1466129 89503 3032112 9 211012 a-Alanine, conf. II
87155.6860 1.1819 -5.2582 3 231.3072273 89503 303452322 452223 a-Alanine, conf. II
87159.1637 6.5259 -5.3426 3 335.2806339 89503 303562136 562037 a-Alanine, conf. II
87191.3559 1.1685 -5.2578 3 231.3058273 89503 303452323 452224 a-Alanine, conf. II
87200.2061 3.1839 -5.3294 3 324.4608327 89503 303542529 542430 a-Alanine, conf. II
87268.8308 1.0275 -5.4791 3 99.9015165 89503 3032721 6 2720 7 a-Alanine, conf. II
87268.8308 1.0275 -5.4791 3 99.9015165 89503 3032721 7 2720 8 a-Alanine, conf. II
87302.1500 0.2324 -4.7669 3 160.6883243 89503 303401030 401031 a-Alanine, conf. II
87302.1722 0.2324 -5.2902 3 160.6883243 89503 303401030 40 931 a-Alanine, conf. II
87302.4977 0.2325 -5.2902 3 160.6883243 89503 303401130 401031 a-Alanine, conf. II
87302.5198 0.2325 -4.7668 3 160.6883243 89503 303401130 40 931 a-Alanine, conf. II
87343.7213 6.0834 -5.0733 3 374.6569357 89503 303592337 592138 a-Alanine, conf. II
87348.8409 2.4227 -5.3904 3 383.0278357 89503 303592634 592535 a-Alanine, conf. II
87349.8951 1.5958 -5.2860 3 280.6707303 89503 303502427 502328 a-Alanine, conf. II
87352.9712 0.0719 -5.2652 3 11.3688 57 89503 303 9 9 1 8 8 0 a-Alanine, conf. II
87352.9749 0.0719 -5.2652 3 11.3688 57 89503 303 9 9 0 8 8 1 a-Alanine, conf. II
87405.1916341.2988 -6.0012 3 889.7213549 89503 303913556 913557 a-Alanine, conf. II
87426.5410 1.1460 -4.7964 3 220.1599279 89503 303461432 461433 a-Alanine, conf. II
87429.3335 1.1453 -5.2647 3 220.1598279 89503 303461432 461333 a-Alanine, conf. II
87455.4187 1.1386 -5.2644 3 220.1599279 89503 303461532 461433 a-Alanine, conf. II
87458.2112 1.1379 -4.7961 3 220.1598279 89503 303461532 461333 a-Alanine, conf. II
87481.9814140.3379 -5.9445 3 741.3841501 89503 303833251 833152 a-Alanine, conf. II
87495.3799 1.0494 -5.5288 3 94.7954159 89503 3032621 5 2620 6 a-Alanine, conf. II
87495.3799 1.0494 -5.5288 3 94.7954159 89503 3032621 6 2620 7 a-Alanine, conf. II
87513.0366 58.2970 -5.7598 3 629.1114459 89503 303763244 763145 a-Alanine, conf. II
87525.6205 0.9795 -5.2624 3 171.8760231 89503 303382216 382117 a-Alanine, conf. II
87525.9376 0.9795 -5.2624 3 171.8760231 89503 303382217 382118 a-Alanine, conf. II
87544.3621 83.2425 -5.7494 3 621.5631459 89503 303762947 762848 a-Alanine, conf. II
87555.7264 6.1281 -4.9721 3 335.2674339 89503 303562136 561937 a-Alanine, conf. II
87561.6106 3.3031 -4.8659 3 274.9379309 89503 303511734 511735 a-Alanine, conf. II
87588.8034 0.3450 -4.8048 3 124.6546219 89503 30336 729 36 730 a-Alanine, conf. II
87588.8035 0.3450 -5.3653 3 124.6546219 89503 30336 729 36 630 a-Alanine, conf. II
87588.8070 0.3450 -5.3653 3 124.6546219 89503 30336 829 36 730 a-Alanine, conf. II
87588.8072 0.3450 -4.8048 3 124.6546219 89503 30336 829 36 630 a-Alanine, conf. II
87600.8689 3.2812 -5.2887 3 274.9366309 89503 303511734 511635 a-Alanine, conf. II
87612.8146 0.2376 -5.8336 3 47.1100123 89503 3032012 9 201010 a-Alanine, conf. II
87638.0122 0.4666 -4.7699 3 189.3962261 89503 303431231 431232 a-Alanine, conf. II
87638.2941 0.4666 -5.2671 3 189.3962261 89503 303431231 431132 a-Alanine, conf. II
87641.5683 0.4663 -5.2670 3 189.3962261 89503 303431331 431232 a-Alanine, conf. II
87641.8503 0.4663 -4.7698 3 189.3962261 89503 303431331 431132 a-Alanine, conf. II
87653.5678 11.2405 -5.4468 3 428.3842381 89503 303632539 632440 a-Alanine, conf. II
87696.4486 1.0709 -5.5908 3 89.8838153 89503 3032521 4 2520 5 a-Alanine, conf. II
87696.4486 1.0709 -5.5908 3 89.8838153 89503 3032521 5 2520 6 a-Alanine, conf. II
87741.1179 0.3345 -5.6395 3 84.1691189 89503 30331 328 31 229 a-Alanine, conf. II
87741.1179 0.3345 -5.0356 3 84.1691189 89503 30331 328 31 329 a-Alanine, conf. II
87741.1179 0.3345 -5.0356 3 84.1691189 89503 30331 428 31 229 a-Alanine, conf. II
87741.1179 0.3345 -5.6395 3 84.1691189 89503 30331 428 31 329 a-Alanine, conf. II
87751.4071 15.2313 -5.4847 3 449.8907387 89503 303642836 642737 a-Alanine, conf. II
87762.2451 0.0122 -5.0266 3 26.1442111 89503 30318 117 17 216 a-Alanine, conf. II
87762.3090 0.0400 -3.8879 3 26.1442111 -89503 30318 217 17 216 a-Alanine, conf. II
87762.3090 0.0400 -3.8879 3 26.1442111 -89503 30318 117 17 116 a-Alanine, conf. II
87762.2523 0.0122 -5.0266 3 26.1442111 89503 30318 217 17 116 a-Alanine, conf. II
87790.6316 0.0105 -5.3161 3 24.4536 99 89503 30316 412 15 511 a-Alanine, conf. II
87850.1114 2.3405 -5.4679 3 446.7301387 89503 303642738 642639 a-Alanine, conf. II
87874.2677 1.0919 -5.6707 3 85.1662147 89503 3032421 3 2420 4 a-Alanine, conf. II
87874.2677 1.0919 -5.6707 3 85.1662147 89503 3032421 4 2420 5 a-Alanine, conf. II
87876.9753 3.1237 -5.2861 3 274.9379309 89503 303511834 511735 a-Alanine, conf. II
87916.2336 3.1019 -4.8625 3 274.9366309 89503 303511834 511635 a-Alanine, conf. II
87920.4636 5.0425 -5.4848 3 459.4878393 89503 303652739 652640 a-Alanine, conf. II
87937.6130 5.3949 -5.1567 3 305.6272321 89503 303532232 532033 a-Alanine, conf. II
88014.2249 43.8439 -5.6804 3 581.4855441 89503 303733142 733043 a-Alanine, conf. II
88021.6888 0.1272 -6.0437 3 58.2753141 89503 303231113 221210 a-Alanine, conf. II
88030.8923 1.1124 -5.7787 3 80.6417141 89503 3032321 2 2320 3 a-Alanine, conf. II
88030.8923 1.1124 -5.7787 3 80.6417141 89503 3032321 3 2320 4 a-Alanine, conf. II
88034.4460 34.0361 -5.5323 3 482.2886405 89503 303672542 672443 a-Alanine, conf. II
88036.6670 28.7241 -5.1709 3 453.3731393 89503 303652441 652442 a-Alanine, conf. II
88063.6497 8.1381 -5.3631 3 360.3537351 89503 303582237 582138 a-Alanine, conf. II
88071.2120 0.0400 -3.9738 3 24.4536 99 -89503 30316 512 15 511 a-Alanine, conf. II
88112.7991 0.1606 -5.7761 3 64.9546153 89503 30325 817 241014 a-Alanine, conf. II
88143.9821 0.9937 -5.2666 3 164.5989225 89503 303372215 372116 a-Alanine, conf. II
88144.0820 0.9937 -5.2666 3 164.5989225 89503 303372216 372117 a-Alanine, conf. II
88167.2745 22.3229 -5.5423 3 491.8727405 89503 303672938 672839 a-Alanine, conf. II
88168.2228 1.1324 -5.9377 3 76.3100135 89503 3032221 1 2220 2 a-Alanine, conf. II
88168.2228 1.1324 -5.9377 3 76.3100135 89503 3032221 2 2220 3 a-Alanine, conf. II
88212.1488 1.1446 -5.2496 3 222.6116267 89503 303442321 442222 a-Alanine, conf. II
88221.4174 0.2523 -5.5656 3 74.3629159 89503 303261214 261017 a-Alanine, conf. II
88226.2129 1.1397 -5.2495 3 222.6110267 89503 303442322 442223 a-Alanine, conf. II
88247.1312 2.1552 -5.3193 3 324.4197327 89503 303542530 542431 a-Alanine, conf. II
88247.5672 31.8000 -5.6077 3 535.7383423 89503 303703040 702941 a-Alanine, conf. II
88332.8759 0.0160 -5.8884 3 7.3684 57 89503 303 9 5 5 8 3 6 a-Alanine, conf. II
88361.9603 0.0248 -5.4842 3 25.4248 99 89503 30316 511 15 610 a-Alanine, conf. II
88380.3005 0.3261 -5.7896 3 76.1909183 89503 30330 228 30 129 a-Alanine, conf. II
88380.3005 0.3261 -5.1757 3 76.1909183 89503 30330 228 30 229 a-Alanine, conf. II
88380.3005 0.3261 -5.1757 3 76.1909183 89503 30330 328 30 129 a-Alanine, conf. II
88380.3005 0.3261 -5.7896 3 76.1909183 89503 30330 328 30 229 a-Alanine, conf. II
88426.7143 0.2408 -5.8271 3 47.0831123 89503 3032012 8 201011 a-Alanine, conf. II
88440.0180 0.0400 -3.9694 3 24.4319 99 -89503 30316 412 15 411 a-Alanine, conf. II
88468.5022 1.7997 -5.4469 3 434.1605381 89503 303632737 632638 a-Alanine, conf. II
88501.0986 4.5611 -4.8908 3 297.8003321 89503 303531835 531836 a-Alanine, conf. II
88548.5633 0.3817 -5.4023 3 115.4807213 89503 30335 629 35 530 a-Alanine, conf. II
88548.5633 0.3817 -4.8296 3 115.4807213 89503 30335 629 35 630 a-Alanine, conf. II
88548.5637 0.3817 -4.8296 3 115.4807213 89503 30335 729 35 530 a-Alanine, conf. II
88548.5637 0.3817 -5.4023 3 115.4807213 89503 30335 729 35 630 a-Alanine, conf. II
88568.6589 4.5124 -5.3006 3 297.7981321 89503 303531835 531736 a-Alanine, conf. II
88575.0202 1.5875 -5.2715 3 270.9583297 89503 303492425 492326 a-Alanine, conf. II
88591.6848 0.2773 -4.7642 3 150.5779237 89503 30339 930 39 931 a-Alanine, conf. II
88591.6882 0.2773 -5.3018 3 150.5779237 89503 30339 930 39 831 a-Alanine, conf. II
88591.7449 0.2773 -5.3018 3 150.5779237 89503 303391030 39 931 a-Alanine, conf. II
88591.7482 0.2773 -4.7642 3 150.5779237 89503 303391030 39 831 a-Alanine, conf. II
88613.6995 0.0099 -3.9911 3 22.3183 93 89503 30315 510 14 5 9 a-Alanine, conf. II
88649.2736 0.0452 -5.3331 3 11.9954 63 89503 30310 8 3 9 7 2 a-Alanine, conf. II
88652.6414 0.0452 -5.3330 3 11.9953 63 89503 30310 8 2 9 7 3 a-Alanine, conf. II
88676.6484 0.0245 -4.0322 3 23.5223 93 89503 30315 7 8 14 7 7 a-Alanine, conf. II
88696.8362 7.3645 -5.0069 3 360.3326351 89503 303582237 582038 a-Alanine, conf. II
88702.9196 1.0110 -5.2734 3 157.5245219 89503 303362214 362115 a-Alanine, conf. II
88702.9495 1.0110 -5.2734 3 157.5245219 89503 303362215 362116 a-Alanine, conf. II
88717.8691 1.5016 -5.2702 3 270.9529297 89503 303492426 492327 a-Alanine, conf. II
88720.5080 0.0102 -5.3050 3 24.4319 99 89503 30316 512 15 411 a-Alanine, conf. II
88744.9998 0.4069 -6.0457 3 114.9063201 89503 303331222 321419 a-Alanine, conf. II
88762.6506 0.3960 -5.4895 3 88.2294171 89503 303281415 281216 a-Alanine, conf. II
88786.5269 8.7293 -5.4967 3 472.4228399 89503 303662740 662641 a-Alanine, conf. II
88841.0419 0.1332 -5.6623 3 60.1293147 89503 30324 816 231013 a-Alanine, conf. II
88875.1850 0.0279 -5.9205 3 11.5345 69 89503 30311 5 6 10 4 7 a-Alanine, conf. II
88879.4516 1.7004 -4.8055 3 240.7902291 89503 303481533 481534 a-Alanine, conf. II
88884.7072 1.6987 -5.2625 3 240.7900291 89503 303481533 481434 a-Alanine, conf. II
88890.1752 2.7155 -5.3661 3 371.4616351 89503 303582633 582534 a-Alanine, conf. II
88930.2926 1.6819 -5.2620 3 240.7902291 89503 303481633 481534 a-Alanine, conf. II
88935.5482 1.6802 -4.8049 3 240.7900291 89503 303481633 481434 a-Alanine, conf. II
88947.8484 9.9219 -5.3868 3 386.3000363 89503 303602338 602239 a-Alanine, conf. II
88955.0367 0.3179 -5.4419 3 68.4521177 89503 30329 128 29 129 a-Alanine, conf. II
88955.0367 0.3179 -5.4419 3 68.4521177 89503 30329 228 29 029 a-Alanine, conf. II
88974.3940 12.2572 -5.4745 3 456.5199393 89503 303652640 652541 a-Alanine, conf. II
88998.3318 1.6766 -5.1384 3 389.0875363 89503 303602437 602238 a-Alanine, conf. II
89009.4064 4.7400 -5.3562 3 360.1709345 89503 303572631 572532 a-Alanine, conf. II
89011.6656 4.1929 -5.2964 3 297.8003321 89503 303531935 531836 a-Alanine, conf. II
89079.2259 4.1445 -4.8854 3 297.7981321 89503 303531935 531736 a-Alanine, conf. II
89156.4476 1.1251 -5.2433 3 214.1263261 89503 303432320 432221 a-Alanine, conf. II
89161.7690 1.1234 -5.2432 3 214.1261261 89503 303432321 432222 a-Alanine, conf. II
89181.7687 5.5918 -5.1562 3 340.5126339 89503 303562334 562135 a-Alanine, conf. II
89197.8640 0.2914 -4.7542 3 178.5879255 89503 303421131 421132 a-Alanine, conf. II
89197.9142 0.2914 -5.2674 3 178.5879255 89503 303421131 421032 a-Alanine, conf. II
89198.5851 0.2914 -5.2674 3 178.5879255 89503 303421231 421132 a-Alanine, conf. II
89198.6353 0.2914 -4.7542 3 178.5879255 89503 303421231 421032 a-Alanine, conf. II
89208.3400 1.0307 -5.2827 3 150.6516213 89503 303352213 352114 a-Alanine, conf. II
89208.3485 1.0307 -5.2827 3 150.6516213 89503 303352214 352115 a-Alanine, conf. II
89211.1128 21.1092 -5.1053 3 425.2636381 89503 303632340 632341 a-Alanine, conf. II
89229.3550 0.0400 -4.9442 3 27.2591117 -89503 30319 019 18 118 a-Alanine, conf. II
89229.3938 0.0222 -3.8383 3 27.2591117 89503 30319 119 18 118 a-Alanine, conf. II
89229.3939 0.0222 -3.8383 3 27.2591117 89503 30319 019 18 018 a-Alanine, conf. II
89229.3550 0.0400 -4.9442 3 27.2591117 -89503 30319 119 18 018 a-Alanine, conf. II
89246.1381 6.2277 -4.9211 3 321.5421333 89503 303551936 551937 a-Alanine, conf. II
89249.2959 25.9380 -5.4811 3 453.3326393 89503 303652441 652342 a-Alanine, conf. II
89302.0999 0.0160 -5.5836 3 16.9083 81 89503 30313 6 8 12 5 7 a-Alanine, conf. II
89314.2531 2.4935 -5.3035 3 313.9052321 89503 303532528 532429 a-Alanine, conf. II
89334.4451 0.7651 -4.7687 3 208.6657273 89503 303451332 451333 a-Alanine, conf. II
89335.0212 0.7650 -5.2553 3 208.6657273 89503 303451332 451233 a-Alanine, conf. II
89341.1864 0.7639 -5.2553 3 208.6657273 89503 303451432 451333 a-Alanine, conf. II
89341.7626 0.7638 -4.7686 3 208.6657273 89503 303451432 451233 a-Alanine, conf. II
89360.1804 6.1238 -5.3173 3 321.5382333 89503 303551936 551837 a-Alanine, conf. II
89376.7054 0.2509 -5.9160 3 43.2341117 89503 3031912 8 1910 9 a-Alanine, conf. II
89406.0653 5.5500 -5.1126 3 401.0200369 89503 303612438 612239 a-Alanine, conf. II
89413.3291 0.4037 -5.4526 3 106.5375207 89503 30334 529 34 430 a-Alanine, conf. II
89413.3291 0.4037 -4.8685 3 106.5375207 89503 30334 529 34 530 a-Alanine, conf. II
89413.3292 0.4037 -4.8685 3 106.5375207 89503 30334 629 34 430 a-Alanine, conf. II
89413.3292 0.4037 -5.4526 3 106.5375207 89503 30334 629 34 530 a-Alanine, conf. II
89490.2989 0.0099 -5.1611 3 26.1900105 89503 30317 314 16 413 a-Alanine, conf. II
89491.4798125.8344 -5.5620 3 670.8271477 89503 303793049 793050 a-Alanine, conf. II
89497.1970 0.0400 -3.9232 3 26.1900105 -89503 30317 414 16 413 a-Alanine, conf. II
89509.1840 0.0400 -3.9230 3 26.1894105 -89503 30317 314 16 313 a-Alanine, conf. II
89516.0786 0.0099 -5.1608 3 26.1894105 89503 30317 414 16 313 a-Alanine, conf. II
89535.8083 0.1276 -6.0256 3 58.2733141 89503 303231112 221211 a-Alanine, conf. II
89613.4038 2.6737 -5.4229 3 421.7894375 89503 303622736 622637 a-Alanine, conf. II
89618.6623 0.0271 -5.4270 3 12.9966 69 89503 30311 7 5 10 6 4 a-Alanine, conf. II
89665.3267 1.0520 -5.2948 3 143.9792207 89503 303342212 342113 a-Alanine, conf. II
89665.3290 1.0520 -5.2948 3 143.9792207 89503 303342213 342114 a-Alanine, conf. II
89687.9240 0.2521 -5.9135 3 43.2238117 89503 3031912 7 191010 a-Alanine, conf. II
89749.1564 0.3484 -4.7695 3 140.6901231 89503 30338 830 38 831 a-Alanine, conf. II
89749.1568 0.3484 -5.3204 3 140.6901231 89503 30338 830 38 731 a-Alanine, conf. II
89749.1657 0.3484 -5.3204 3 140.6901231 89503 30338 930 38 831 a-Alanine, conf. II
89749.1661 0.3484 -4.7695 3 140.6901231 89503 30338 930 38 731 a-Alanine, conf. II
89754.5606 8.4519 -4.9571 3 346.1612345 89503 303572037 572038 a-Alanine, conf. II
89786.1055 0.2375 -5.7164 3 67.9397153 89503 303251114 25 917 a-Alanine, conf. II
89813.1527 2.0331 -5.2988 3 313.8859321 89503 303532529 532430 a-Alanine, conf. II
89819.4593 15.5291 -5.0484 3 398.0239369 89503 303612239 612240 a-Alanine, conf. II
89840.6982 11.8178 -5.4132 3 413.1177375 89503 303622439 622340 a-Alanine, conf. II
89895.2117 62.1532 -5.3423 3 556.8811435 89503 303722745 722746 a-Alanine, conf. II
89910.1373 1.4569 -5.2570 3 261.4524291 89503 303482424 482325 a-Alanine, conf. II
89942.1339 8.4652 -5.0451 3 386.2668363 89503 303602338 602139 a-Alanine, conf. II
89943.6244 8.2387 -5.3390 3 346.1549345 89503 303572037 571938 a-Alanine, conf. II
89968.3689 0.0281 -5.4249 3 12.9871 69 89503 30311 7 4 10 6 5 a-Alanine, conf. II
89970.0715 11.4499 -4.9993 3 371.6558357 89503 303592138 592139 a-Alanine, conf. II
89970.8877 1.4234 -5.2564 3 261.4502291 89503 303482425 482326 a-Alanine, conf. II
89991.1869 19.5809 -5.4365 3 425.2376381 89503 303632340 632241 a-Alanine, conf. II
90006.0452 1.1179 -5.2391 3 205.8495255 89503 303422319 422220 a-Alanine, conf. II
90007.9763 1.1173 -5.2391 3 205.8494255 89503 303422320 422221 a-Alanine, conf. II
90039.2117 0.2909 -5.6222 3 65.9746147 89503 303241312 241113 a-Alanine, conf. II
90057.6713 5.5017 -5.3108 3 321.5421333 89503 303552036 551937 a-Alanine, conf. II
90075.5585 67.6631 -5.6779 3 588.7619447 89503 303742846 742747 a-Alanine, conf. II
90078.3141 1.0746 -5.3101 3 137.5063201 89503 303332211 332112 a-Alanine, conf. II
90078.3147 1.0746 -5.3101 3 137.5063201 89503 303332212 332113 a-Alanine, conf. II
90127.8545 0.0718 -5.8112 3 33.7170111 89503 30318 711 17 810 a-Alanine, conf. II
90171.7136 5.3985 -4.9126 3 321.5382333 89503 303552036 551837 a-Alanine, conf. II
90193.5102 0.4124 -5.5216 3 97.8274201 89503 30333 429 33 330 a-Alanine, conf. II
90193.5102 0.4124 -4.9267 3 97.8274201 89503 30333 429 33 430 a-Alanine, conf. II
90193.5102 0.4124 -4.9267 3 97.8274201 89503 30333 529 33 330 a-Alanine, conf. II
90193.5102 0.4124 -5.5216 3 97.8274201 89503 30333 529 33 430 a-Alanine, conf. II
90221.2835 0.0796 -4.8327 3 38.7305 99 89503 3031615 1 1515 0 a-Alanine, conf. II
90221.2835 0.0796 -4.8327 3 38.7305 99 89503 3031615 2 1515 1 a-Alanine, conf. II
90225.8476 2.4344 -4.8196 3 262.3060303 89503 303501634 501635 a-Alanine, conf. II
90235.4886 2.4299 -5.2652 3 262.3057303 89503 303501634 501535 a-Alanine, conf. II
90278.2198 11.0265 -5.3659 3 371.6455357 89503 303592138 592039 a-Alanine, conf. II
90313.3685 2.3914 -5.2644 3 262.3060303 89503 303501734 501635 a-Alanine, conf. II
90313.6073 14.7133 -5.3983 3 398.0074369 89503 303612239 612140 a-Alanine, conf. II
90323.0095 2.3870 -4.8187 3 262.3057303 89503 303501734 501535 a-Alanine, conf. II
90353.3628 0.0665 -4.5403 3 36.6484 99 89503 3031614 2 1514 1 a-Alanine, conf. II
90353.3628 0.0665 -4.5403 3 36.6484 99 89503 3031614 3 1514 2 a-Alanine, conf. II
90451.2121 1.0980 -5.3289 3 131.2321195 89503 303322210 322111 a-Alanine, conf. II
90451.2122 1.0980 -5.3289 3 131.2321195 89503 303322211 322112 a-Alanine, conf. II
90475.1762 12.8757 -5.5036 3 485.5244405 89503 303672741 672642 a-Alanine, conf. II
90518.5292 0.0543 -4.3733 3 34.7148 99 89503 3031613 4 1513 3 a-Alanine, conf. II
90518.5295 0.0543 -4.3733 3 34.7148 99 89503 3031613 3 1513 2 a-Alanine, conf. II
90539.9914 2.7389 -5.3419 3 360.1103345 89503 303572632 572533 a-Alanine, conf. II
90557.4363 0.0218 -3.9759 3 22.8447 93 89503 30315 6 9 14 6 8 a-Alanine, conf. II
90573.7403 4.0219 -5.5063 3 488.5423405 89503 303672840 672741 a-Alanine, conf. II
90583.9451 7.1289 -5.3912 3 397.7625363 89503 303602733 602634 a-Alanine, conf. II
90590.5944 0.2552 -4.7454 3 167.9963249 89503 303411031 411032 a-Alanine, conf. II
90590.6025 0.2552 -5.2733 3 167.9963249 89503 303411031 41 932 a-Alanine, conf. II
90590.7274 0.2552 -5.2733 3 167.9963249 89503 303411131 411032 a-Alanine, conf. II
90590.7355 0.2552 -4.7454 3 167.9963249 89503 303411131 41 932 a-Alanine, conf. II
90638.4941121.8098 -5.8619 3 705.6221489 89503 303813150 813051 a-Alanine, conf. II
90698.7373 0.2648 -6.0146 3 39.5728111 89503 3031812 7 1810 8 a-Alanine, conf. II
90715.0786 0.0236 -5.8953 3 8.0565 57 89503 303 9 6 3 8 4 4 a-Alanine, conf. II
90729.4585 0.0432 -4.2579 3 32.9309 99 89503 3031612 5 1512 4 a-Alanine, conf. II
90729.4703 0.0432 -4.2579 3 32.9309 99 89503 3031612 4 1512 3 a-Alanine, conf. II
90773.5795 1.1194 -5.2371 3 197.7794249 89503 303412318 412219 a-Alanine, conf. II
90774.2509 1.1192 -5.2371 3 197.7794249 89503 303412319 412220 a-Alanine, conf. II
90776.0986 13.7323 -5.4422 3 440.8051387 89503 303642540 642441 a-Alanine, conf. II
90787.4991 1.1219 -5.3517 3 125.1556189 89503 3033122 9 312110 a-Alanine, conf. II
90787.4992 1.1219 -5.3517 3 125.1556189 89503 303312210 312111 a-Alanine, conf. II
90791.7580 0.4113 -4.7839 3 131.0282225 89503 30337 730 37 731 a-Alanine, conf. II
90791.7581 0.4113 -5.3472 3 131.0282225 89503 30337 730 37 631 a-Alanine, conf. II
90791.7593 0.4113 -4.7839 3 131.0282225 89503 30337 830 37 631 a-Alanine, conf. II
90791.7593 0.4113 -5.3472 3 131.0282225 89503 30337 830 37 731 a-Alanine, conf. II
90806.4910 0.0400 -3.9607 3 25.4248 99 -89503 30316 611 15 610 a-Alanine, conf. II
90806.6101 0.2652 -6.0137 3 39.5692111 89503 3031812 6 1810 9 a-Alanine, conf. II
90819.8101 5.1209 -5.1631 3 377.2569357 89503 303592436 592237 a-Alanine, conf. II
90897.8575 0.4105 -5.6195 3 89.3529195 89503 30332 329 32 230 a-Alanine, conf. II
90897.8575 0.4105 -5.0145 3 89.3529195 89503 30332 329 32 330 a-Alanine, conf. II
90897.8575 0.4105 -5.0145 3 89.3529195 89503 30332 429 32 230 a-Alanine, conf. II
90897.8575 0.4105 -5.6195 3 89.3529195 89503 30332 429 32 330 a-Alanine, conf. II
90916.3033 0.0104 -5.0510 3 27.7258111 89503 30318 216 17 315 a-Alanine, conf. II
90916.3873 0.0104 -3.8736 3 27.7258111 89503 30318 316 17 315 a-Alanine, conf. II
90916.5080 0.0400 -3.8736 3 27.7258111 -89503 30318 216 17 215 a-Alanine, conf. II
90916.6447 0.0104 -5.0510 3 27.7258111 89503 30318 316 17 215 a-Alanine, conf. II
90931.0081 1.8996 -5.4854 3 475.3844399 89503 303662839 662740 a-Alanine, conf. II
90944.6326 1.1923 -4.7730 3 228.8248285 89503 303471433 471434 a-Alanine, conf. II
90945.7717 1.1920 -5.2490 3 228.8248285 89503 303471433 471334 a-Alanine, conf. II
90957.0600 1.1887 -5.2489 3 228.8248285 89503 303471533 471434 a-Alanine, conf. II
90958.1991 1.1884 -4.7729 3 228.8248285 89503 303471533 471334 a-Alanine, conf. II
90968.7309 8.0599 -5.5227 3 501.8836411 89503 303682841 682742 a-Alanine, conf. II
90993.2121 0.0496 -5.6229 3 29.4307105 89503 30317 611 16 710 a-Alanine, conf. II
91004.0869 0.0985 -5.9832 3 52.5114135 89503 303221012 211111 a-Alanine, conf. II
91006.1536 0.0334 -4.1708 3 31.2988 99 89503 3031611 6 1511 5 a-Alanine, conf. II
91006.5010 0.0334 -4.1708 3 31.2988 99 89503 3031611 5 1511 4 a-Alanine, conf. II
91016.7264 0.4738 -4.7479 3 197.3810267 89503 303441232 441233 a-Alanine, conf. II
91016.8352 0.4738 -5.2510 3 197.3810267 89503 303441232 441133 a-Alanine, conf. II
91018.1684 0.4736 -5.2510 3 197.3810267 89503 303441332 441233 a-Alanine, conf. II
91018.2772 0.4736 -4.7479 3 197.3810267 89503 303441332 441133 a-Alanine, conf. II
91021.7339 7.0716 -5.3290 3 346.1612345 89503 303572137 572038 a-Alanine, conf. II
91060.7471 2.0879 -5.2822 3 303.5782315 89503 303522527 522428 a-Alanine, conf. II
91085.5396 1.3776 -5.2450 3 252.1616285 89503 303472423 472324 a-Alanine, conf. II
91090.2939 1.1461 -5.3792 3 119.2761183 89503 3033022 8 3021 9 a-Alanine, conf. II
91090.2939 1.1461 -5.3792 3 119.2761183 89503 3033022 9 302110 a-Alanine, conf. II
91103.0017 3.2659 -5.3972 3 409.6255369 89503 303612735 612636 a-Alanine, conf. II
91110.3777 1.3651 -5.2448 3 252.1606285 89503 303472424 472325 a-Alanine, conf. II
91119.2662 0.5598 -5.4111 3 107.4319189 89503 303311517 311318 a-Alanine, conf. II
91154.7660 0.2276 -5.7850 3 72.2127159 89503 303261016 251213 a-Alanine, conf. II
91210.7978 6.8598 -4.9439 3 346.1549345 89503 303572137 571938 a-Alanine, conf. II
91274.6237 0.2962 -5.5125 3 75.7785159 89503 303261313 261116 a-Alanine, conf. II
91276.7661 0.0192 -5.5419 3 19.5220 87 89503 30314 6 9 13 5 8 a-Alanine, conf. II
91288.6515 1.8930 -5.2800 3 303.5695315 89503 303522528 522429 a-Alanine, conf. II
91362.4120 1.1703 -5.4125 3 113.5929177 89503 3032922 7 2921 8 a-Alanine, conf. II
91362.4120 1.1703 -5.4125 3 113.5929177 89503 3032922 8 2921 9 a-Alanine, conf. II
91376.6478 9.1566 -5.0863 3 413.0664375 89503 303622439 622240 a-Alanine, conf. II
91380.3822 0.0251 -4.1014 3 29.8219 99 89503 3031610 7 1510 6 a-Alanine, conf. II
91387.4737 0.0252 -4.1013 3 29.8220 99 89503 3031610 6 1510 5 a-Alanine, conf. II
91436.0681 3.5499 -5.3258 3 349.0059339 89503 303562630 562531 a-Alanine, conf. II
91455.5826 3.3913 -4.8387 3 284.7056315 89503 303521735 521736 a-Alanine, conf. II
91468.7686 1.1275 -5.2371 3 189.9146243 89503 303402317 402218 a-Alanine, conf. II
91468.9919 1.1275 -5.2371 3 189.9145243 89503 303402318 402219 a-Alanine, conf. II
91472.8634 3.3807 -5.2725 3 284.7050315 89503 303521735 521636 a-Alanine, conf. II
91491.3685 0.3005 -5.4859 3 81.0165165 89503 303271314 271117 a-Alanine, conf. II
91533.8366 0.4014 -5.7693 3 81.1159189 89503 30331 229 31 130 a-Alanine, conf. II
91533.8366 0.4014 -5.1547 3 81.1159189 89503 30331 229 31 230 a-Alanine, conf. II
91533.8366 0.4014 -5.1547 3 81.1159189 89503 30331 329 31 130 a-Alanine, conf. II
91533.8366 0.4014 -5.7693 3 81.1159189 89503 30331 329 31 230 a-Alanine, conf. II
91603.1644 3.2970 -5.2713 3 284.7056315 89503 303521835 521736 a-Alanine, conf. II
91606.4113 1.1944 -5.4529 3 108.1052171 89503 3032822 6 2821 7 a-Alanine, conf. II
91606.4113 1.1944 -5.4529 3 108.1052171 89503 3032822 7 2821 8 a-Alanine, conf. II
91620.4452 3.2864 -4.8372 3 284.7050315 89503 303521835 521636 a-Alanine, conf. II
91733.2514 0.4577 -5.3841 3 121.5947219 89503 30336 630 36 531 a-Alanine, conf. II
91733.2514 0.4577 -4.8091 3 121.5947219 89503 30336 630 36 631 a-Alanine, conf. II
91733.2516 0.4577 -4.8091 3 121.5947219 89503 30336 730 36 531 a-Alanine, conf. II
91733.2516 0.4577 -5.3841 3 121.5947219 89503 30336 730 36 631 a-Alanine, conf. II
91780.9678187.5004 -5.7036 3 758.0361507 89503 303843252 843253 a-Alanine, conf. II
91791.9179 15.5365 -5.4733 3 469.3609399 89503 303662641 662542 a-Alanine, conf. II
91824.6284 1.2182 -5.5024 3 102.8124165 89503 3032722 5 2721 6 a-Alanine, conf. II
91824.6284 1.2182 -5.5024 3 102.8124165 89503 3032722 6 2721 7 a-Alanine, conf. II
91841.4985 0.3251 -4.7437 3 157.6248243 89503 30340 931 40 932 a-Alanine, conf. II
91841.4996 0.3251 -5.2851 3 157.6248243 89503 30340 931 40 832 a-Alanine, conf. II
91841.5206 0.3251 -5.2851 3 157.6248243 89503 303401031 40 932 a-Alanine, conf. II
91841.5218 0.3251 -4.7437 3 157.6248243 89503 303401031 40 832 a-Alanine, conf. II
91882.5970 0.0400 -4.0441 3 28.5053 99 -89503 30316 9 8 15 9 7 a-Alanine, conf. II
91898.1746 10.7127 -5.4342 3 437.2352381 89503 303632835 632736 a-Alanine, conf. II
91898.3934 2.7543 -5.4610 3 462.4205393 89503 303652838 652739 a-Alanine, conf. II
91914.3476 8.9137 -5.3509 3 371.6558357 89503 303592238 592139 a-Alanine, conf. II
91925.9874 0.0241 -5.3537 3 11.4328 69 89503 30311 5 6 10 3 7 a-Alanine, conf. II
91980.4988 0.0203 -4.0431 3 28.5068 99 89503 30316 9 7 15 9 6 a-Alanine, conf. II
91993.0894 3.7763 -5.1541 3 428.2394381 89503 303632539 632340 a-Alanine, conf. II
92005.0911 0.2938 -5.5517 3 70.7266153 89503 303251312 251115 a-Alanine, conf. II
92019.2087 1.2416 -5.5643 3 97.7139159 89503 3032622 4 2621 5 a-Alanine, conf. II
92019.2087 1.2416 -5.5643 3 97.7139159 89503 3032622 5 2621 6 a-Alanine, conf. II
92099.4428 1.1406 -5.2394 3 182.2537237 89503 303392316 392217 a-Alanine, conf. II
92099.5137 1.1406 -5.2394 3 182.2537237 89503 303392317 392218 a-Alanine, conf. II
92107.8979 0.3894 -5.4210 3 73.1185183 89503 30330 129 30 130 a-Alanine, conf. II
92107.8979 0.3894 -5.4210 3 73.1185183 89503 30330 229 30 030 a-Alanine, conf. II
92134.1982 1.3297 -5.2353 3 243.0829279 89503 303462422 462323 a-Alanine, conf. II
92136.6579 53.4199 -5.6121 3 556.8063435 89503 303722745 722646 a-Alanine, conf. II
92143.9642 1.3252 -5.2353 3 243.0826279 89503 303462423 462324 a-Alanine, conf. II
92184.9776 0.1857 -5.9147 3 87.2534177 89503 30329 920 281117 a-Alanine, conf. II
92187.7459 2.6088 -5.3189 3 348.9766339 89503 303562631 562532 a-Alanine, conf. II
92189.8779 12.9439 -5.5341 3 515.3971417 89503 303692842 692743 a-Alanine, conf. II
92192.1307 1.2646 -5.6441 3 92.8091153 89503 3032522 3 2521 4 a-Alanine, conf. II
92192.1307 1.2646 -5.6441 3 92.8091153 89503 3032522 4 2521 5 a-Alanine, conf. II
92204.3562 46.4403 -5.2575 3 525.7511423 89503 303702644 702645 a-Alanine, conf. II
92222.4959 8.4931 -4.9792 3 371.6455357 89503 303592238 592039 a-Alanine, conf. II
92295.3374 0.0139 -3.9665 3 26.3521 99 89503 30316 710 15 7 9 a-Alanine, conf. II
92345.2262 1.2870 -5.7519 3 88.0973147 89503 3032422 2 2421 3 a-Alanine, conf. II
92345.2262 1.2870 -5.7519 3 88.0973147 89503 3032422 3 2421 4 a-Alanine, conf. II
92372.7713 0.0150 -4.9610 3 29.0716117 89503 30319 118 18 217 a-Alanine, conf. II
92372.7718 0.0150 -3.8251 3 29.0716117 89503 30319 218 18 217 a-Alanine, conf. II
92372.7730 0.0150 -3.8251 3 29.0716117 89503 30319 118 18 117 a-Alanine, conf. II
92372.7735 0.0150 -4.9610 3 29.0716117 89503 30319 218 18 117 a-Alanine, conf. II
92393.3270 0.0400 -3.9971 3 27.3539 99 -89503 30316 8 9 15 8 8 a-Alanine, conf. II
92464.7792 1.7697 -4.7824 3 249.8718297 89503 303491534 491535 a-Alanine, conf. II
92466.9666 1.7689 -5.2477 3 249.8717297 89503 303491534 491435 a-Alanine, conf. II
92480.1974 1.3088 -5.9109 3 83.5781141 89503 3032322 1 2321 2 a-Alanine, conf. II
92480.1974 1.3088 -5.9109 3 83.5781141 89503 3032322 2 2321 3 a-Alanine, conf. II
92487.1203 1.7606 -5.2475 3 249.8718297 89503 303491634 491535 a-Alanine, conf. II
92489.3077 1.7598 -4.7822 3 249.8717297 89503 303491634 491435 a-Alanine, conf. II
92517.3189 0.2957 -4.7336 3 186.3101261 89503 303431132 431133 a-Alanine, conf. II
92517.3377 0.2957 -5.2518 3 186.3101261 89503 303431132 431033 a-Alanine, conf. II
92517.6009 0.2957 -5.2518 3 186.3101261 89503 303431232 431133 a-Alanine, conf. II
92517.6197 0.2957 -4.7336 3 186.3101261 89503 303431232 431033 a-Alanine, conf. II
92551.5722 1.8446 -5.2642 3 293.4734309 89503 303512526 512427 a-Alanine, conf. II
92554.7844 4.6294 -4.8626 3 307.9870327 89503 303541836 541837 a-Alanine, conf. II
92584.9193 0.4868 -5.4343 3 112.3924213 89503 30335 530 35 431 a-Alanine, conf. II
92584.9193 0.4868 -4.8484 3 112.3924213 89503 30335 530 35 531 a-Alanine, conf. II
92584.9193 0.4868 -4.8484 3 112.3924213 89503 30335 630 35 431 a-Alanine, conf. II
92584.9193 0.4868 -5.4343 3 112.3924213 89503 30335 630 35 531 a-Alanine, conf. II
92585.1102 4.6052 -5.2845 3 307.9860327 89503 303541836 541737 a-Alanine, conf. II
92601.3054 0.0110 -5.2189 3 27.3913105 89503 30317 413 16 512 a-Alanine, conf. II
92651.6371 1.7659 -5.2633 3 293.4696309 89503 303512527 512428 a-Alanine, conf. II
92672.1216 1.1575 -5.2438 3 174.7955231 89503 303382315 382216 a-Alanine, conf. II
92672.1430 1.1575 -5.2438 3 174.7955231 89503 303382316 382217 a-Alanine, conf. II
92690.8478107.3015 -5.9458 3 766.1378507 89503 303843549 843450 a-Alanine, conf. II
92716.7080 0.0400 -3.9061 3 27.3913105 -89503 30317 513 16 512 a-Alanine, conf. II
92750.5592 11.0220 -5.3761 3 398.0239369 89503 303612339 612240 a-Alanine, conf. II
92756.9906 0.7854 -4.7475 3 217.0658279 89503 303461333 461334 a-Alanine, conf. II
92757.2177 0.7854 -5.2405 3 217.0658279 89503 303461333 461234 a-Alanine, conf. II
92759.7831 0.7848 -5.2404 3 217.0658279 89503 303461433 461334 a-Alanine, conf. II
92760.0102 0.7848 -4.7474 3 217.0658279 89503 303461433 461234 a-Alanine, conf. II
92769.7282 3.4436 -5.3712 3 397.6749363 89503 303602734 602635 a-Alanine, conf. II
92774.1482 0.8384 -5.3489 3 128.5411207 89503 303341619 341420 a-Alanine, conf. II
92788.6952 0.0961 -5.9648 3 56.7786141 89503 303231014 221111 a-Alanine, conf. II
92798.9037 4.4317 -5.2825 3 307.9870327 89503 303541936 541837 a-Alanine, conf. II
92829.2295 4.4076 -4.8601 3 307.9860327 89503 303541936 541737 a-Alanine, conf. II
92857.4529 3.8322 -5.1770 3 415.8569375 89503 303622538 622339 a-Alanine, conf. II
92878.4477 0.0100 -3.9323 3 25.2741 99 89503 30316 511 15 510 a-Alanine, conf. II
92881.8300 0.0106 -3.9043 3 27.3820105 89503 30317 413 16 412 a-Alanine, conf. II
92926.7772 15.9496 -5.4852 3 478.5887399 89503 303662937 662838 a-Alanine, conf. II
92928.4181 17.0680 -5.5062 3 498.7838411 89503 303682742 682643 a-Alanine, conf. II
92969.6726 0.4145 -4.7497 3 147.4767237 89503 30339 831 39 832 a-Alanine, conf. II
92969.6728 0.4145 -5.3038 3 147.4767237 89503 30339 831 39 732 a-Alanine, conf. II
92969.6759 0.4145 -5.3038 3 147.4767237 89503 30339 931 39 832 a-Alanine, conf. II
92969.6761 0.4145 -4.7497 3 147.4767237 89503 30339 931 39 732 a-Alanine, conf. II
92981.1376 0.0692 -5.2255 3 13.0640 63 89503 30310 9 2 9 8 1 a-Alanine, conf. II
92981.2000 0.0692 -5.2255 3 13.0640 63 89503 30310 9 1 9 8 2 a-Alanine, conf. II
92997.1989 0.0107 -5.2146 3 27.3820105 89503 30317 513 16 412 a-Alanine, conf. II
93077.7127 1.3023 -5.2277 3 234.2144273 89503 303452421 452322 a-Alanine, conf. II
93081.4047 1.3007 -5.2277 3 234.2142273 89503 303452422 452323 a-Alanine, conf. II
93110.2129 9.0175 -5.1302 3 440.7272387 89503 303642540 642341 a-Alanine, conf. II
93130.1869 0.0214 -5.4729 3 22.3183 93 89503 30315 610 14 5 9 a-Alanine, conf. II
93192.3577 1.1773 -5.2506 3 167.5391225 89503 303372314 372215 a-Alanine, conf. II
93192.3639 1.1773 -5.2506 3 167.5391225 89503 303372315 372216 a-Alanine, conf. II
93194.0746 0.2600 -5.5958 3 79.5329165 89503 303271215 271018 a-Alanine, conf. II
93196.8107 0.3038 -5.4777 3 86.4315171 89503 303281315 281118 a-Alanine, conf. II
93231.8320 96.1600 -5.4563 3 636.6932465 89503 303772948 772949 a-Alanine, conf. II
93235.5946 0.0230 -3.9887 3 27.3717 99 89503 30316 8 8 15 8 7 a-Alanine, conf. II
93244.7072 10.2116 -5.0182 3 398.0074369 89503 303612339 612140 a-Alanine, conf. II
93248.3055 0.2981 -5.6681 3 61.2599141 89503 303231311 231112 a-Alanine, conf. II
93256.2670 0.2954 -5.6003 3 65.8688147 89503 303241311 241114 a-Alanine, conf. II
93297.6770 3.7896 -5.4344 3 449.6604387 89503 303642837 642738 a-Alanine, conf. II
93306.1530 0.4838 -5.9905 3 123.1078207 89503 303341322 331519 a-Alanine, conf. II
93356.1822 0.5004 -5.5031 3 103.4234207 89503 30334 430 34 331 a-Alanine, conf. II
93356.1822 0.5004 -4.9069 3 103.4234207 89503 30334 430 34 431 a-Alanine, conf. II
93356.1822 0.5004 -4.9069 3 103.4234207 89503 30334 530 34 331 a-Alanine, conf. II
93356.1822 0.5004 -5.5031 3 103.4234207 89503 30334 530 34 431 a-Alanine, conf. II
93376.5722 5.1663 -5.3559 3 385.9850357 89503 303592732 592633 a-Alanine, conf. II
93399.3175 84.2651 -5.8525 3 713.5309489 89503 303813447 813348 a-Alanine, conf. II
93401.0992173.2915 -5.9908 3 794.9218519 89503 303863353 863254 a-Alanine, conf. II
93409.0123 6.7972 -5.5497 3 532.2160423 89503 303702942 702843 a-Alanine, conf. II
93411.1914 2.8363 -5.3007 3 338.0748333 89503 303552629 552530 a-Alanine, conf. II
93473.4417 2.7913 -5.5292 3 518.4722417 89503 303692941 692842 a-Alanine, conf. II
93504.4129 6.2284 -4.8914 3 332.1484339 89503 303561937 561938 a-Alanine, conf. II
93515.7498101.0869 -5.7830 3 670.6929477 89503 303793049 792950 a-Alanine, conf. II
93537.3899273.4685 -5.8630 3 850.4813537 89503 303893455 893456 a-Alanine, conf. II
93550.6344 13.3654 -5.4045 3 425.2636381 89503 303632440 632341 a-Alanine, conf. II
93556.6041 6.1759 -5.3009 3 332.1467339 89503 303561937 561838 a-Alanine, conf. II
93605.5548 0.0258 -5.9085 3 7.9575 57 89503 303 9 6 4 8 4 5 a-Alanine, conf. II
93648.0202 23.3770 -5.5439 3 521.8225417 89503 303693039 692940 a-Alanine, conf. II
93664.9568 1.1993 -5.2600 3 160.4833219 89503 303362313 362214 a-Alanine, conf. II
93664.9585 1.1993 -5.2600 3 160.4833219 89503 303362314 362215 a-Alanine, conf. II
93680.1258 41.3995 -5.5528 3 525.7018423 89503 303702644 702545 a-Alanine, conf. II
93763.4170 34.6049 -5.1829 3 495.4854411 89503 303682543 682544 a-Alanine, conf. II
93764.8595 2.4196 -5.2975 3 338.0612333 89503 303552630 552531 a-Alanine, conf. II
93821.5629 1.3100 -5.2994 3 151.5543225 89503 303371721 371522 a-Alanine, conf. II
93839.0313 0.0276 -3.7783 3 30.2354123 89503 30320 020 19 019 a-Alanine, conf. II
93839.0313 0.0276 -4.8835 3 30.2354123 89503 30320 020 19 119 a-Alanine, conf. II
93839.0313 0.0276 -4.8835 3 30.2354123 89503 30320 120 19 019 a-Alanine, conf. II
93839.0313 0.0276 -3.7783 3 30.2354123 89503 30320 120 19 119 a-Alanine, conf. II
93855.5080 1.6940 -5.2491 3 283.5860303 89503 303502525 502426 a-Alanine, conf. II
93865.2876 0.2876 -4.7259 3 175.4569255 89503 303421032 421033 a-Alanine, conf. II
93865.2905 0.2876 -5.2579 3 175.4569255 89503 303421032 42 933 a-Alanine, conf. II
93865.3378 0.2876 -5.2579 3 175.4569255 89503 303421132 421033 a-Alanine, conf. II
93865.3407 0.2876 -4.7259 3 175.4569255 89503 303421132 42 933 a-Alanine, conf. II
93889.9249 2.5277 -4.7967 3 271.8048309 89503 303511635 511636 a-Alanine, conf. II
93894.0173 2.5256 -5.2512 3 271.8047309 89503 303511635 511536 a-Alanine, conf. II
93897.1166 63.9286 -5.7651 3 662.7923471 89503 303783345 783246 a-Alanine, conf. II
93897.7978 1.6634 -5.2487 3 283.5844303 89503 303502526 502427 a-Alanine, conf. II
93900.9757 5.8299 -5.2978 3 332.1484339 89503 303562037 561938 a-Alanine, conf. II
93929.1832 2.5061 -5.2509 3 271.8048309 89503 303511735 511636 a-Alanine, conf. II
93931.1784 1.2892 -5.2221 3 225.5540267 89503 303442420 442321 a-Alanine, conf. II
93932.5197 1.2887 -5.2221 3 225.5540267 89503 303442421 442322 a-Alanine, conf. II
93933.2755 2.5040 -4.7963 3 271.8047309 89503 303511735 511536 a-Alanine, conf. II
93953.1668 5.7776 -4.8874 3 332.1467339 89503 303562037 561838 a-Alanine, conf. II
93960.4753 0.1595 -5.5911 3 65.9746153 89503 30325 916 241113 a-Alanine, conf. II
93990.2117 0.4910 -5.3305 3 137.5550231 89503 30338 731 38 632 a-Alanine, conf. II
93990.2117 0.4910 -4.7646 3 137.5550231 89503 30338 731 38 732 a-Alanine, conf. II
93990.2122 0.4910 -4.7646 3 137.5550231 89503 30338 831 38 632 a-Alanine, conf. II
93990.2122 0.4910 -5.3305 3 137.5550231 89503 30338 831 38 732 a-Alanine, conf. II
94048.0293 33.5587 -5.6104 3 566.9355435 89503 303723141 723042 a-Alanine, conf. II
94055.0269 0.5009 -5.6008 3 94.6901201 89503 30333 330 33 231 a-Alanine, conf. II
94055.0269 0.5009 -4.9948 3 94.6901201 89503 30333 330 33 331 a-Alanine, conf. II
94055.0269 0.5009 -4.9948 3 94.6901201 89503 30333 430 33 231 a-Alanine, conf. II
94055.0269 0.5009 -5.6008 3 94.6901201 89503 30333 430 33 331 a-Alanine, conf. II
94094.1284 1.2230 -5.2721 3 153.6273213 89503 303352312 352213 a-Alanine, conf. II
94094.1288 1.2230 -5.2721 3 153.6273213 89503 303352313 352214 a-Alanine, conf. II
94097.0569 0.0110 -5.0849 3 29.1753111 89503 30318 315 17 414 a-Alanine, conf. II
94099.5087 0.0110 -3.8588 3 29.1753111 89503 30318 415 17 414 a-Alanine, conf. II
94103.9466 0.0110 -3.8588 3 29.1751111 89503 30318 315 17 314 a-Alanine, conf. II
94106.3984 0.0110 -5.0848 3 29.1751111 89503 30318 415 17 314 a-Alanine, conf. II
94125.6560 46.9853 -5.6842 3 613.9262453 89503 303753243 753144 a-Alanine, conf. II
94134.4101 0.0955 -5.9062 3 47.0831129 89503 30321 912 201011 a-Alanine, conf. II
94146.4453 12.3213 -5.5656 3 546.1380429 89503 303712943 712844 a-Alanine, conf. II
94188.2510 0.3828 -5.5099 3 82.6415165 89503 303271414 271215 a-Alanine, conf. II
94223.9006 2.5997 -5.5047 3 504.9180411 89503 303682940 682841 a-Alanine, conf. II
94224.1906 0.0222 -5.6813 3 9.8536 63 89503 30310 6 4 9 4 5 a-Alanine, conf. II
94226.1792 18.1383 -5.5407 3 529.0729423 89503 303702843 702744 a-Alanine, conf. II
94235.0138 0.0438 -5.2967 3 13.8925 69 89503 30311 8 4 10 7 3 a-Alanine, conf. II
94237.4159 0.0293 -5.6153 3 14.3222 75 89503 30312 6 6 11 5 7 a-Alanine, conf. II
94253.5669 0.0438 -5.2966 3 13.8919 69 89503 30311 8 3 10 7 4 a-Alanine, conf. II
94278.3381 8.3009 -4.9251 3 357.1878351 89503 303582038 582039 a-Alanine, conf. II
94330.7086 11.8477 -5.0606 3 425.2376381 89503 303632440 632241 a-Alanine, conf. II
94340.4478 15.8795 -5.4357 3 453.3731393 89503 303652541 652442 a-Alanine, conf. II
94366.5481 8.1911 -5.3218 3 357.1849351 89503 303582038 581939 a-Alanine, conf. II
94370.7359 0.4745 -4.7282 3 205.5178273 89503 303451233 451234 a-Alanine, conf. II
94370.7774 0.4745 -5.2367 3 205.5178273 89503 303451233 451134 a-Alanine, conf. II
94371.3120 0.4744 -5.2367 3 205.5178273 89503 303451333 451234 a-Alanine, conf. II
94371.3535 0.4744 -4.7282 3 205.5178273 89503 303451333 451134 a-Alanine, conf. II
94381.6241 2.0466 -5.2601 3 176.4674243 89503 303401823 401624 a-Alanine, conf. II
94416.4528 1.2329 -4.7524 3 237.6406291 89503 303481434 481435 a-Alanine, conf. II
94416.9109 1.2328 -5.2352 3 237.6406291 89503 303481434 481335 a-Alanine, conf. II
94421.7083 1.2312 -5.2352 3 237.6406291 89503 303481534 481435 a-Alanine, conf. II
94422.1664 1.2311 -4.7523 3 237.6406291 89503 303481534 481335 a-Alanine, conf. II
94482.1733 3.3473 -5.3460 3 385.9415357 89503 303592733 592634 a-Alanine, conf. II
94483.5961 1.2478 -5.2873 3 146.9701207 89503 303342311 342212 a-Alanine, conf. II
94483.5962 1.2478 -5.2873 3 146.9701207 89503 303342312 342213 a-Alanine, conf. II
94525.1831 0.0193 -5.3341 3 28.4538105 89503 30317 512 16 611 a-Alanine, conf. II
94557.0960 6.0194 -5.1907 3 262.5514297 89503 303492129 491930 a-Alanine, conf. II
94592.3422 3.0910 -5.2294 3 203.2753261 89503 303431925 431726 a-Alanine, conf. II
94599.9425 7.6889 -5.1821 3 295.0068315 89503 303522231 522032 a-Alanine, conf. II
94601.3217 4.4383 -5.2065 3 231.9721279 89503 303462027 461828 a-Alanine, conf. II
94681.9342 0.0260 -5.4070 3 15.1208 75 89503 30312 7 6 11 6 5 a-Alanine, conf. II
94688.3149 0.4917 -5.7504 3 86.1944195 89503 30332 230 32 131 a-Alanine, conf. II
94688.3149 0.4917 -5.1351 3 86.1944195 89503 30332 230 32 231 a-Alanine, conf. II
94688.3149 0.4917 -5.1351 3 86.1944195 89503 30332 330 32 131 a-Alanine, conf. II
94688.3149 0.4917 -5.7504 3 86.1944195 89503 30332 330 32 231 a-Alanine, conf. II
94697.0995 25.8367 -5.1173 3 466.0858399 89503 303662442 662443 a-Alanine, conf. II
94705.8482 1.2866 -5.2184 3 217.1003261 89503 303432419 432320 a-Alanine, conf. II
94706.3160 1.2864 -5.2184 3 217.1002261 89503 303432420 432321 a-Alanine, conf. II
94716.8096 0.3016 -5.6574 3 61.2114141 89503 303231310 231113 a-Alanine, conf. II
94720.9507 31.7659 -5.5001 3 495.4534411 89503 303682543 682444 a-Alanine, conf. II
94806.0495 0.1243 -5.9456 3 62.7064147 89503 303241114 231211 a-Alanine, conf. II
94836.6814 1.2734 -5.3060 3 140.5110201 89503 303332310 332211 a-Alanine, conf. II
94836.6814 1.2734 -5.3060 3 140.5110201 89503 303332311 332212 a-Alanine, conf. II
94840.8795 11.0090 -4.9642 3 383.1033363 89503 303602139 602140 a-Alanine, conf. II
94852.6359 9.2251 -5.1805 3 329.3319333 89503 303552333 552134 a-Alanine, conf. II
94911.5246 7.5250 -5.3170 3 357.1878351 89503 303582138 582039 a-Alanine, conf. II
94915.3836 0.5480 -5.3673 3 127.8621225 89503 30337 631 37 532 a-Alanine, conf. II
94915.3836 0.5480 -4.7902 3 127.8621225 89503 30337 631 37 632 a-Alanine, conf. II
94915.3836 0.5480 -4.7902 3 127.8621225 89503 30337 731 37 532 a-Alanine, conf. II
94915.3836 0.5480 -5.3673 3 127.8621225 89503 30337 731 37 632 a-Alanine, conf. II
94950.5255 4.2499 -5.4070 3 437.1115381 89503 303632836 632737 a-Alanine, conf. II
94987.4572 10.7866 -5.3473 3 383.0984363 89503 303602139 602040 a-Alanine, conf. II
94999.7346 7.4155 -4.9189 3 357.1849351 89503 303582138 581939 a-Alanine, conf. II
95014.9389 1.5985 -5.2362 3 273.9129297 89503 303492524 492425 a-Alanine, conf. II
95032.1546 1.5871 -5.2360 3 273.9122297 89503 303492525 492426 a-Alanine, conf. II
95076.5022 2.4044 -5.2794 3 327.3694327 89503 303542628 542529 a-Alanine, conf. II
95081.9882 0.3860 -4.7249 3 164.8247249 89503 30341 932 41 933 a-Alanine, conf. II
95081.9886 0.3860 -5.2699 3 164.8247249 89503 30341 932 41 833 a-Alanine, conf. II
95081.9963 0.3860 -5.2699 3 164.8247249 89503 303411032 41 933 a-Alanine, conf. II
95081.9967 0.3860 -4.7249 3 164.8247249 89503 303411032 41 833 a-Alanine, conf. II
95116.5220 7.6073 -5.3937 3 424.8419375 89503 303622834 622735 a-Alanine, conf. II
95123.3588 19.3726 -5.0596 3 437.5543387 89503 303642341 642342 a-Alanine, conf. II
95143.8483 14.5872 -5.0088 3 409.8928375 89503 303622240 622241 a-Alanine, conf. II
95151.4509 18.4587 -5.4695 3 482.3505405 89503 303672642 672543 a-Alanine, conf. II
95156.3686 1.2994 -5.3287 3 134.2492195 89503 3033223 9 322210 a-Alanine, conf. II
95156.3686 1.2994 -5.3287 3 134.2492195 89503 303322310 322211 a-Alanine, conf. II
95213.5169 3.5050 -4.8157 3 294.6221321 89503 303531736 531737 a-Alanine, conf. II
95220.9944 3.4998 -5.2592 3 294.6218321 89503 303531736 531637 a-Alanine, conf. II
95236.4796 2.2291 -5.2780 3 327.3634327 89503 303542629 542530 a-Alanine, conf. II
95262.0112 0.4767 -5.4014 3 77.9383189 89503 30331 130 31 131 a-Alanine, conf. II
95262.0112 0.4767 -5.4014 3 77.9383189 89503 30331 230 31 031 a-Alanine, conf. II
95278.1749 2.1383 -5.1976 3 456.3097393 89503 303652640 652441 a-Alanine, conf. II
95280.0215 7.4548 -5.1764 3 469.2446399 89503 303662641 662442 a-Alanine, conf. II
95281.0772 3.4568 -5.2586 3 294.6221321 89503 303531836 531737 a-Alanine, conf. II
95288.5547 3.4517 -4.8150 3 294.6218321 89503 303531836 531637 a-Alanine, conf. II
95309.4633 24.2761 -5.4535 3 466.0654399 89503 303662442 662343 a-Alanine, conf. II
95323.0208 0.0206 -5.3844 3 25.2741 99 89503 30316 611 15 510 a-Alanine, conf. II
95383.5342 14.1498 -5.3776 3 409.8848375 89503 303622240 622141 a-Alanine, conf. II
95410.5732 1.2919 -5.2167 3 208.8518255 89503 303422418 422319 a-Alanine, conf. II
95410.7297 1.2918 -5.2167 3 208.8518255 89503 303422419 422320 a-Alanine, conf. II
95412.4590 10.3468 -5.1859 3 365.5210351 89503 303582435 582236 a-Alanine, conf. II
95445.3569 1.3257 -5.3561 3 128.1839189 89503 3033123 8 3122 9 a-Alanine, conf. II
95445.3569 1.3257 -5.3561 3 128.1839189 89503 3033123 9 312210 a-Alanine, conf. II
95486.3872 0.3108 -5.8013 3 84.0683171 89503 303281117 271314 a-Alanine, conf. II
95493.1107 4.1885 -5.4774 3 491.5635405 89503 303672939 672840 a-Alanine, conf. II
95509.3253 18.5358 -5.4129 3 437.5414387 89503 303642341 642242 a-Alanine, conf. II
95525.2152 0.0122 -4.9838 3 30.7584117 89503 30319 217 18 316 a-Alanine, conf. II
95525.2422 0.0122 -3.8120 3 30.7584117 89503 30319 317 18 316 a-Alanine, conf. II
95525.2992 0.0122 -3.8120 3 30.7584117 89503 30319 217 18 216 a-Alanine, conf. II
95525.3262 0.0122 -4.9838 3 30.7584117 89503 30319 317 18 216 a-Alanine, conf. II
95553.0767 13.1136 -5.1061 3 453.3326393 89503 303652541 652342 a-Alanine, conf. II
95571.1155 0.3100 -5.7277 3 56.7786135 89503 303221310 221111 a-Alanine, conf. II
95616.8058 3.9603 -5.3269 3 374.4474351 89503 303582731 582632 a-Alanine, conf. II
95706.1019 1.3520 -5.3892 3 122.3146183 89503 3033023 7 3022 8 a-Alanine, conf. II
95706.1019 1.3520 -5.3892 3 122.3146183 89503 3033023 8 3022 9 a-Alanine, conf. II
95723.6906 18.5460 -5.5765 3 560.2275435 89503 303722944 722845 a-Alanine, conf. II
95727.3087 0.0115 -3.8906 3 28.4538105 89503 30317 612 16 611 a-Alanine, conf. II
95736.3108 0.0300 -3.9263 3 26.4802 99 89503 30316 7 9 15 7 8 a-Alanine, conf. II
95755.3589 0.5850 -5.4173 3 118.4007219 89503 30336 531 36 432 a-Alanine, conf. II
95755.3589 0.5850 -4.8297 3 118.4007219 89503 30336 531 36 532 a-Alanine, conf. II
95755.3589 0.5850 -4.8297 3 118.4007219 89503 30336 631 36 432 a-Alanine, conf. II
95755.3589 0.5850 -5.4173 3 118.4007219 89503 30336 631 36 532 a-Alanine, conf. II
95768.5476 0.0294 -5.4019 3 15.0922 75 89503 30312 7 5 11 6 6 a-Alanine, conf. II
95819.7864 0.3018 -4.7151 3 194.1848267 89503 303441133 441134 a-Alanine, conf. II
95819.7933 0.3018 -5.2378 3 194.1848267 89503 303441133 441034 a-Alanine, conf. II
95819.8952 0.3018 -5.2378 3 194.1848267 89503 303441233 441134 a-Alanine, conf. II
95819.9021 0.3018 -4.7151 3 194.1848267 89503 303441233 441034 a-Alanine, conf. II
95835.1650 9.5452 -5.3398 3 383.1033363 89503 303602239 602140 a-Alanine, conf. II
95837.7228 0.1692 -5.9547 3 68.9795153 89503 303251214 241311 a-Alanine, conf. II
95849.1798 0.0967 -4.7904 3 43.9658105 89503 3031716 1 1616 0 a-Alanine, conf. II
95849.1798 0.0967 -4.7904 3 43.9658105 89503 3031716 2 1616 1 a-Alanine, conf. II
95939.8597 81.2136 -5.7096 3 636.6029465 89503 303772948 772849 a-Alanine, conf. II
95940.8499 1.3782 -5.4294 3 116.6404177 89503 3032923 6 2922 7 a-Alanine, conf. II
95940.8499 1.3782 -5.4294 3 116.6404177 89503 3032923 7 2922 8 a-Alanine, conf. II
95978.5050 0.0817 -4.4969 3 41.7399105 89503 3031715 2 1615 1 a-Alanine, conf. II
95978.5050 0.0817 -4.4969 3 41.7399105 89503 3031715 3 1615 2 a-Alanine, conf. II
95981.7426 9.3237 -4.9543 3 383.0984363 89503 303602239 602040 a-Alanine, conf. II
95992.3376 1.8359 -4.7623 3 259.1038303 89503 303501535 501536 a-Alanine, conf. II
95993.2347 1.8355 -5.2349 3 259.1037303 89503 303501535 501436 a-Alanine, conf. II
96001.9786 1.8315 -5.2349 3 259.1038303 89503 303501635 501536 a-Alanine, conf. II
96002.8758 1.8311 -4.7622 3 259.1037303 89503 303501635 501436 a-Alanine, conf. II
96020.0919 20.9526 -5.5055 3 512.1942417 89503 303692743 692644 a-Alanine, conf. II
96038.6721 72.6983 -5.3622 3 603.4183453 89503 303752847 752848 a-Alanine, conf. II
96052.5976 1.3032 -5.2170 3 200.8073249 89503 303412417 412318 a-Alanine, conf. II
96052.6477 1.3031 -5.2170 3 200.8073249 89503 303412418 412319 a-Alanine, conf. II
96056.9355 1.5379 -5.2253 3 264.4515291 89503 303482523 482424 a-Alanine, conf. II
96063.6874 1.5338 -5.2253 3 264.4513291 89503 303482524 482425 a-Alanine, conf. II
96111.1239 4.9809 -5.5780 3 563.4205435 89503 303723043 722944 a-Alanine, conf. II
96137.7606 0.0678 -4.3288 3 39.6623105 89503 3031714 3 1614 2 a-Alanine, conf. II
96137.7606 0.0678 -4.3288 3 39.6623105 89503 3031714 4 1614 3 a-Alanine, conf. II
96143.2159145.0883 -5.5882 3 721.7695495 89503 303823151 823152 a-Alanine, conf. II
96149.4323 0.7976 -4.7285 3 225.6176285 89503 303471334 471335 a-Alanine, conf. II
96149.5206 0.7976 -5.2273 3 225.6176285 89503 303471334 471235 a-Alanine, conf. II
96150.5714 0.7974 -5.2273 3 225.6176285 89503 303471434 471335 a-Alanine, conf. II
96150.6597 0.7974 -4.7285 3 225.6176285 89503 303471434 471235 a-Alanine, conf. II
96151.6658 1.4040 -5.4787 3 111.1609171 89503 3032823 5 2822 6 a-Alanine, conf. II
96151.6658 1.4040 -5.4787 3 111.1609171 89503 3032823 6 2822 7 a-Alanine, conf. II
96151.9386 3.1181 -5.3221 3 374.4266351 89503 303582732 582633 a-Alanine, conf. II
96181.7940 0.3118 -5.7231 3 56.7584135 89503 3032213 9 221112 a-Alanine, conf. II
96184.0481 0.4949 -4.7315 3 154.4164243 89503 30340 832 40 833 a-Alanine, conf. II
96184.0482 0.4949 -5.2886 3 154.4164243 89503 30340 832 40 733 a-Alanine, conf. II
96184.0493 0.4949 -5.2886 3 154.4164243 89503 30340 932 40 833 a-Alanine, conf. II
96184.0494 0.4949 -4.7315 3 154.4164243 89503 30340 932 40 733 a-Alanine, conf. II
96337.4074 0.0550 -4.2124 3 37.7341105 89503 3031713 5 1613 4 a-Alanine, conf. II
96337.4093 0.0550 -4.2124 3 37.7341105 89503 3031713 4 1613 3 a-Alanine, conf. II
96340.4555 1.4295 -5.5405 3 105.8754165 89503 3032723 4 2722 5 a-Alanine, conf. II
96340.4555 1.4295 -5.5405 3 105.8754165 89503 3032723 5 2722 6 a-Alanine, conf. II
96346.1779 10.7425 -5.1982 3 403.5689369 89503 303612537 612338 a-Alanine, conf. II
96364.9248 10.9006 -5.5980 3 577.7473441 89503 303733044 732945 a-Alanine, conf. II
96395.3223 0.0193 -3.8947 3 25.8653 99 89503 30316 610 15 6 9 a-Alanine, conf. II
96426.7942 4.7514 -4.8393 3 318.3218333 89503 303551837 551838 a-Alanine, conf. II
96440.1666 4.7397 -5.2716 3 318.3214333 89503 303551837 551738 a-Alanine, conf. II
96455.2491 0.5054 -5.9583 3 129.7395213 89503 303351323 341520 a-Alanine, conf. II
96481.5982 0.0188 -5.7756 3 9.0063 63 89503 30310 5 6 9 3 7 a-Alanine, conf. II
96508.9859 1.4545 -5.6201 3 100.7833159 89503 3032623 3 2622 4 a-Alanine, conf. II
96508.9859 1.4545 -5.6201 3 100.7833159 89503 3032623 4 2622 5 a-Alanine, conf. II
96518.7066 0.6040 -5.4859 3 109.1728213 89503 30335 431 35 332 a-Alanine, conf. II
96518.7066 0.6040 -4.8884 3 109.1728213 89503 30335 431 35 432 a-Alanine, conf. II
96518.7066 0.6040 -4.8884 3 109.1728213 89503 30335 531 35 332 a-Alanine, conf. II
96518.7066 0.6040 -5.4859 3 109.1728213 89503 30335 531 35 432 a-Alanine, conf. II
96520.8045 2.1352 -5.2611 3 316.8844321 89503 303532627 532528 a-Alanine, conf. II
96540.8365 4.6486 -5.2707 3 318.3218333 89503 303551937 551838 a-Alanine, conf. II
96552.9541 0.2305 -5.9734 3 75.5914159 89503 303261314 251411 a-Alanine, conf. II
96554.2090 4.6368 -4.8382 3 318.3214333 89503 303551937 551738 a-Alanine, conf. II
96590.5145 2.0646 -5.2605 3 316.8817321 89503 303532628 532529 a-Alanine, conf. II
96593.3867 0.0433 -4.1242 3 35.9573105 89503 3031712 6 1612 5 a-Alanine, conf. II
96593.4496 0.0433 -4.1242 3 35.9573105 89503 3031712 5 1612 4 a-Alanine, conf. II
96608.7270 2.3785 -5.5536 3 549.2784429 89503 303713042 712943 a-Alanine, conf. II
96619.3851 0.2571 -5.9445 3 61.7318147 89503 303241014 24 817 a-Alanine, conf. II
96620.0716146.9521 -5.9050 3 757.8747507 89503 303843252 843153 a-Alanine, conf. II
96634.0274 11.2331 -5.4390 3 465.5759393 89503 303652936 652837 a-Alanine, conf. II
96638.0169 1.3191 -5.2194 3 192.9656243 89503 303402416 402317 a-Alanine, conf. II
96638.0323 1.3191 -5.2194 3 192.9656243 89503 303402417 402318 a-Alanine, conf. II
96658.9001 1.4789 -5.7278 3 95.8843153 89503 3032523 2 2522 3 a-Alanine, conf. II
96658.9001 1.4789 -5.7278 3 95.8843153 89503 3032523 3 2522 4 a-Alanine, conf. II
96679.7979 11.9084 -5.3662 3 409.8928375 89503 303622340 622241 a-Alanine, conf. II
96706.4700 4.2633 -5.3797 3 424.7786375 89503 303622835 622736 a-Alanine, conf. II
96791.7309 1.5026 -5.8867 3 91.1776147 89503 3032423 1 2422 2 a-Alanine, conf. II
96791.7309 1.5026 -5.8867 3 91.1776147 89503 3032423 2 2422 3 a-Alanine, conf. II
96894.3998 0.2324 -5.9699 3 75.5911159 89503 303261313 251412 a-Alanine, conf. II
96919.4839 11.4728 -4.9936 3 409.8848375 89503 303622340 622141 a-Alanine, conf. II
96926.1941 0.1736 -5.7342 3 81.5919171 89503 30328 919 271116 a-Alanine, conf. II
96931.0571 0.0331 -4.0539 3 34.3344105 89503 3031711 7 1611 6 a-Alanine, conf. II
96932.5325 0.0331 -4.0538 3 34.3345105 89503 3031711 6 1611 5 a-Alanine, conf. II
96969.7690 0.0400 -3.8761 3 28.3722105 -89503 30317 512 16 511 a-Alanine, conf. II
96974.2233 0.1711 -5.9425 3 68.9780153 89503 303251213 241312 a-Alanine, conf. II
96982.8288 0.0190 -4.8996 3 32.1528123 89503 30320 119 19 218 a-Alanine, conf. II
96982.8560 0.0400 -3.7662 3 32.1528123 -89503 30320 219 19 218 a-Alanine, conf. II
96982.8560 0.0400 -3.7662 3 32.1528123 -89503 30320 119 19 118 a-Alanine, conf. II
96982.8294 0.0190 -4.8996 3 32.1528123 89503 30320 219 19 118 a-Alanine, conf. II
96986.6151 23.1652 -5.5435 3 542.9029429 89503 303712844 712745 a-Alanine, conf. II
96999.8059 1.5009 -5.2165 3 255.1999285 89503 303472522 472423 a-Alanine, conf. II
97002.3566 1.4994 -5.2164 3 255.1998285 89503 303472523 472424 a-Alanine, conf. II
97007.7634 13.5528 -5.1544 3 482.2886405 89503 303672642 672443 a-Alanine, conf. II
97016.3517 0.3063 -5.4955 3 92.0152177 89503 303291316 291119 a-Alanine, conf. II
97097.9973 5.1095 -5.4487 3 478.4175399 89503 303662938 662839 a-Alanine, conf. II
97128.2296 0.3331 -4.7081 3 183.0703261 89503 303431033 431034 a-Alanine, conf. II
97128.2306 0.3331 -5.2441 3 183.0703261 89503 303431033 43 934 a-Alanine, conf. II
97128.2483 0.3331 -5.2441 3 183.0703261 89503 303431133 431034 a-Alanine, conf. II
97128.2493 0.3331 -4.7081 3 183.0703261 89503 303431133 43 934 a-Alanine, conf. II
97172.0599 1.3387 -5.2239 3 185.3258237 89503 303392415 392316 a-Alanine, conf. II
97172.0643 1.3387 -5.2239 3 185.3258237 89503 303392416 392317 a-Alanine, conf. II
97184.8496 0.5861 -5.3152 3 144.2350237 89503 30339 732 39 633 a-Alanine, conf. II
97184.8496 0.5861 -4.7468 3 144.2350237 89503 30339 732 39 733 a-Alanine, conf. II
97184.8497 0.5861 -4.7468 3 144.2350237 89503 30339 832 39 633 a-Alanine, conf. II
97184.8497 0.5861 -5.3152 3 144.2350237 89503 30339 832 39 733 a-Alanine, conf. II
97212.7466 0.6076 -5.5834 3 100.1808207 89503 30334 331 34 232 a-Alanine, conf. II
97212.7466 0.6076 -4.9764 3 100.1808207 89503 30334 331 34 332 a-Alanine, conf. II
97212.7466 0.6076 -4.9764 3 100.1808207 89503 30334 431 34 232 a-Alanine, conf. II
97212.7466 0.6076 -5.5834 3 100.1808207 89503 30334 431 34 332 a-Alanine, conf. II
97282.7740 0.0118 -5.1337 3 30.4840111 89503 30318 414 17 513 a-Alanine, conf. II
97297.2215 0.1009 -5.1289 3 14.2826 63 89503 3031010 1 9 9 0 a-Alanine, conf. II
97297.2220 0.1009 -5.1289 3 14.2826 63 89503 3031010 0 9 9 1 a-Alanine, conf. II
97303.0978 0.3242 -5.8005 3 52.5191129 89503 3032113 9 211110 a-Alanine, conf. II
97328.3800 0.0400 -3.8431 3 30.4840111 -89503 30318 514 17 513 a-Alanine, conf. II
97387.3080 0.0400 -3.9956 3 32.8700105 -89503 3031710 8 1610 7 a-Alanine, conf. II
97398.1110 0.0400 -3.8424 3 30.4802111 -89503 30318 414 17 413 a-Alanine, conf. II
97411.5412 0.0254 -3.9954 3 32.8703105 89503 3031710 7 1610 6 a-Alanine, conf. II
97443.7768 0.0116 -5.1320 3 30.4802111 89503 30318 514 17 413 a-Alanine, conf. II
97454.8489 18.0960 -5.6133 3 592.2473447 89503 303743045 742946 a-Alanine, conf. II
97457.4730 14.6137 -5.3960 3 437.5543387 89503 303642441 642342 a-Alanine, conf. II
97479.9080 3.2230 -5.3022 3 363.1400345 89503 303572730 572631 a-Alanine, conf. II
97481.1324 2.6229 -4.7769 3 281.4534315 89503 303521636 521637 a-Alanine, conf. II
97482.8433 2.6219 -5.2393 3 281.4534315 89503 303521636 521537 a-Alanine, conf. II
97498.4132 2.6123 -5.2392 3 281.4534315 89503 303521736 521637 a-Alanine, conf. II
97500.1241 2.6114 -4.7767 3 281.4534315 89503 303521736 521537 a-Alanine, conf. II
97517.9181 6.3323 -4.8674 3 342.9020345 89503 303571938 571939 a-Alanine, conf. II
97535.6511 0.3250 -5.7987 3 52.5114129 89503 3032113 8 211111 a-Alanine, conf. II
97541.3655 6.3064 -5.2882 3 342.9013345 89503 303571938 571839 a-Alanine, conf. II
97580.6485 0.5209 -5.4230 3 101.2139183 89503 303301516 301317 a-Alanine, conf. II
97659.2747 1.3610 -5.2308 3 177.8868231 89503 303382414 382315 a-Alanine, conf. II
97659.2759 1.3610 -5.2308 3 177.8868231 89503 303382415 382316 a-Alanine, conf. II
97665.4598 5.6408 -5.3604 3 412.6954369 89503 303612833 612734 a-Alanine, conf. II
97689.1511 10.1054 -5.2173 3 443.4715387 89503 303642639 642440 a-Alanine, conf. II
97702.2348 0.3732 -5.4168 3 93.5672177 89503 303291415 291218 a-Alanine, conf. II
97704.0451 0.4686 -4.7105 3 213.8067279 89503 303461234 461235 a-Alanine, conf. II
97704.0608 0.4686 -5.2239 3 213.8067279 89503 303461234 461135 a-Alanine, conf. II
97704.2722 0.4685 -5.2239 3 213.8067279 89503 303461334 461235 a-Alanine, conf. II
97704.2878 0.4685 -4.7105 3 213.8067279 89503 303461334 461135 a-Alanine, conf. II
97706.9820 6.1208 -5.2868 3 342.9020345 89503 303572038 571939 a-Alanine, conf. II
97708.3453 4.3297 -5.5259 3 535.3318423 89503 303703041 702942 a-Alanine, conf. II
97710.9153 0.0226 -5.4664 3 11.8615 69 89503 30311 6 5 10 4 6 a-Alanine, conf. II
97728.8698 2.8536 -5.3000 3 363.1304345 89503 303572731 572632 a-Alanine, conf. II
97730.4293 6.0948 -4.8655 3 342.9013345 89503 303572038 571839 a-Alanine, conf. II
97791.5643 0.0145 -3.8875 3 29.4307105 89503 30317 711 16 710 a-Alanine, conf. II
97798.7147 1.9617 -5.2452 3 306.6157315 89503 303522626 522527 a-Alanine, conf. II
97828.0094 1.9344 -5.2449 3 306.6146315 89503 303522627 522528 a-Alanine, conf. II
97834.1428 63.8900 -5.6425 3 603.3584453 89503 303752847 752748 a-Alanine, conf. II
97843.4395 13.7804 -5.0366 3 437.5414387 89503 303642441 642242 a-Alanine, conf. II
97843.8085 0.5988 -5.7327 3 91.4264201 89503 30333 231 33 132 a-Alanine, conf. II
97843.8085 0.5988 -5.1168 3 91.4264201 89503 30333 231 33 232 a-Alanine, conf. II
97843.8085 0.5988 -5.1168 3 91.4264201 89503 30333 331 33 132 a-Alanine, conf. II
97843.8085 0.5988 -5.7327 3 91.4264201 89503 30333 331 33 232 a-Alanine, conf. II
97851.6583 1.2656 -4.7341 3 246.6077297 89503 303491435 491436 a-Alanine, conf. II
97851.8401 1.2655 -5.2232 3 246.6077297 89503 303491435 491336 a-Alanine, conf. II
97853.8457 1.2648 -5.2232 3 246.6077297 89503 303491535 491436 a-Alanine, conf. II
97854.0275 1.2647 -4.7341 3 246.6077297 89503 303491535 491336 a-Alanine, conf. II
97856.7601 1.4805 -5.2094 3 246.1562279 89503 303462521 462422 a-Alanine, conf. II
97857.6877 1.4800 -5.2094 3 246.1562279 89503 303462522 462423 a-Alanine, conf. II
97891.6524 0.1044 -5.9267 3 61.2599147 89503 303241015 231112 a-Alanine, conf. II
97905.5767 16.5166 -5.4918 3 508.1865411 89503 303683038 682939 a-Alanine, conf. II
97915.2186 0.0933 -5.7686 3 41.9818123 89503 30320 812 19 911 a-Alanine, conf. II
97963.1428 0.0203 -3.9464 3 31.5702105 89503 30317 9 9 16 9 8 a-Alanine, conf. II
98020.0795 0.0289 -5.6393 3 10.7929 69 89503 30311 4 7 10 2 8 a-Alanine, conf. II
98023.2116 54.7635 -5.2787 3 571.0038441 89503 303732746 732747 a-Alanine, conf. II
98050.6043 3.8935 -5.2246 3 498.6130411 89503 303682742 682543 a-Alanine, conf. II
98092.1553 0.3728 -5.4432 3 87.9262171 89503 303281414 281217 a-Alanine, conf. II
98093.2523 24.8626 -5.5831 3 574.4752441 89503 303732945 732846 a-Alanine, conf. II
98095.4044 0.6544 -5.3519 3 134.2828231 89503 30338 632 38 533 a-Alanine, conf. II
98095.4044 0.6544 -4.7728 3 134.2828231 89503 30338 632 38 633 a-Alanine, conf. II
98095.4044 0.6544 -4.7728 3 134.2828231 89503 30338 732 38 533 a-Alanine, conf. II
98095.4044 0.6544 -5.3519 3 134.2828231 89503 30338 732 38 633 a-Alanine, conf. II
98103.6612 1.3854 -5.2401 3 170.6477225 89503 303372413 372314 a-Alanine, conf. II
98103.6615 1.3854 -5.2401 3 170.6477225 89503 303372414 372315 a-Alanine, conf. II
98149.9840 0.1276 -5.9058 3 62.7007147 89503 303241113 231212 a-Alanine, conf. II
98171.8818 0.0174 -5.2899 3 28.3722105 89503 30317 612 16 511 a-Alanine, conf. II
98176.3703 0.5697 -5.9575 3 136.5747219 89503 303361324 351521 a-Alanine, conf. II
98185.2031 17.6325 -5.4288 3 466.0858399 89503 303662542 662443 a-Alanine, conf. II
98231.6508 0.0228 -3.9439 3 31.5749105 89503 30317 9 8 16 9 7 a-Alanine, conf. II
98286.0594 0.3795 -5.5394 3 77.3057159 89503 303261413 261214 a-Alanine, conf. II
98314.4720 0.4620 -4.7078 3 172.1775255 89503 30342 933 42 934 a-Alanine, conf. II
98314.4721 0.4620 -5.2561 3 172.1775255 89503 30342 933 42 834 a-Alanine, conf. II
98314.4749 0.4620 -5.2561 3 172.1775255 89503 303421033 42 934 a-Alanine, conf. II
98314.4750 0.4620 -4.7078 3 172.1775255 89503 303421033 42 834 a-Alanine, conf. II
98367.2693 0.0179 -3.9075 3 30.4358105 89503 30317 810 16 8 9 a-Alanine, conf. II
98417.4253 0.5816 -5.3832 3 82.9116195 89503 30332 131 32 132 a-Alanine, conf. II
98417.4253 0.5816 -5.3832 3 82.9116195 89503 30332 231 32 032 a-Alanine, conf. II
98448.0255 0.0351 -3.7219 3 33.3656129 89503 30321 021 20 020 a-Alanine, conf. II
98448.0255 0.0351 -4.8264 3 33.3656129 89503 30321 021 20 120 a-Alanine, conf. II
98448.0255 0.0351 -4.8264 3 33.3656129 89503 30321 121 20 020 a-Alanine, conf. II
98448.0255 0.0351 -3.7219 3 33.3656129 89503 30321 121 20 120 a-Alanine, conf. II
98456.4968 4.0242 -5.3536 3 412.6644369 89503 303612834 612735 a-Alanine, conf. II
98470.7604 8.3355 -4.9000 3 368.3609357 89503 303592039 592040 a-Alanine, conf. II
98508.7685 1.4114 -5.2521 3 163.6077219 89503 303362412 362313 a-Alanine, conf. II
98508.7686 1.4114 -5.2521 3 163.6077219 89503 303362413 362314 a-Alanine, conf. II
98511.1291 8.2803 -5.3090 3 368.3595357 89503 303592039 591940 a-Alanine, conf. II
98519.3989 0.1565 -5.5249 3 70.9346159 89503 30326 917 251114 a-Alanine, conf. II
98566.6020 0.3732 -5.4044 3 99.3902183 89503 303301416 301219 a-Alanine, conf. II
98578.9150214.2627 -5.7377 3 812.0908525 89503 303873354 873355 a-Alanine, conf. II
98600.2245 0.0667 -5.1890 3 14.9525 69 89503 30311 9 3 10 8 2 a-Alanine, conf. II
98600.7775 0.0667 -5.1890 3 14.9525 69 89503 30311 9 2 10 8 3 a-Alanine, conf. II
98637.9104 1.4725 -5.2043 3 237.3191273 89503 303452520 452421 a-Alanine, conf. II
98638.2348 1.4724 -5.2043 3 237.3191273 89503 303452521 452422 a-Alanine, conf. II
98647.0204 0.3398 -5.8863 3 48.4730123 89503 3032013 8 2011 9 a-Alanine, conf. II
98701.4730 0.0122 -5.0144 3 32.3141117 89503 30319 316 18 415 a-Alanine, conf. II
98702.3274 0.0122 -3.7984 3 32.3141117 89503 30319 416 18 415 a-Alanine, conf. II
98703.9249 0.0122 -3.7984 3 32.3140117 89503 30319 316 18 315 a-Alanine, conf. II
98704.3208 0.2571 -5.7919 3 72.8517159 89503 303261115 26 918 a-Alanine, conf. II
98704.7792 0.0122 -5.0144 3 32.3140117 89503 30319 416 18 315 a-Alanine, conf. II
98728.1233 0.3400 -5.8857 3 48.4703123 89503 3032013 7 201110 a-Alanine, conf. II
98778.9087 7.9148 -5.3067 3 368.3609357 89503 303592139 592040 a-Alanine, conf. II
98797.5669 16.0790 -5.0830 3 466.0654399 89503 303662542 662343 a-Alanine, conf. II
98817.7486 12.4911 -5.2051 3 512.1009417 89503 303692743 692544 a-Alanine, conf. II
98819.2774 7.8597 -4.8971 3 368.3595357 89503 303592139 591940 a-Alanine, conf. II
98856.1718 8.6409 -5.6315 3 610.2254453 89503 303753145 753046 a-Alanine, conf. II
98872.2184 5.3545 -5.4198 3 465.4859393 89503 303652937 652838 a-Alanine, conf. II
98877.7702 1.4385 -5.2672 3 156.7659213 89503 303352411 352312 a-Alanine, conf. II
98877.7702 1.4385 -5.2672 3 156.7659213 89503 303352412 352313 a-Alanine, conf. II
98878.3458 3.6302 -4.7961 3 304.6878327 89503 303541737 541738 a-Alanine, conf. II
98881.5310 3.6278 -5.2481 3 304.6877327 89503 303541737 541638 a-Alanine, conf. II
98885.6032 20.8979 -5.4646 3 495.4854411 89503 303682643 682544 a-Alanine, conf. II
98907.8263 24.0487 -5.5520 3 552.6727429 89503 303713140 713041 a-Alanine, conf. II
98908.6716 3.6063 -5.2479 3 304.6878327 89503 303541837 541738 a-Alanine, conf. II
98911.8568 3.6039 -4.7958 3 304.6877327 89503 303541837 541638 a-Alanine, conf. II
98924.9314 0.7001 -5.4017 3 124.5623225 89503 30337 532 37 433 a-Alanine, conf. II
98924.9314 0.7001 -4.8125 3 124.5623225 89503 30337 532 37 533 a-Alanine, conf. II
98924.9314 0.7001 -4.8125 3 124.5623225 89503 30337 632 37 433 a-Alanine, conf. II
98924.9314 0.7001 -5.4017 3 124.5623225 89503 30337 632 37 533 a-Alanine, conf. II
98944.4916 1.8473 -5.2313 3 296.5605309 89503 303512625 512526 a-Alanine, conf. II
98956.3704 1.8371 -5.2312 3 296.5601309 89503 303512626 512527 a-Alanine, conf. II
99069.7341 3.0643 -5.6074 3 595.4981447 89503 303743144 743045 a-Alanine, conf. II
99079.2220 2.7617 -5.2807 3 352.0559339 89503 303562729 562630 a-Alanine, conf. II
99105.8438 0.0425 -5.4202 3 32.6927111 89503 30318 612 17 711 a-Alanine, conf. II
99107.7545 0.3144 -4.6983 3 202.2119273 89503 303451134 451135 a-Alanine, conf. II
99107.7570 0.3144 -5.2252 3 202.2119273 89503 303451134 451035 a-Alanine, conf. II
99107.7960 0.3144 -5.2252 3 202.2119273 89503 303451234 451135 a-Alanine, conf. II
99107.7985 0.3144 -4.6983 3 202.2119273 89503 303451234 451035 a-Alanine, conf. II
99108.8576 0.4399 -5.8260 3 96.8262183 89503 303301218 291415 a-Alanine, conf. II
99122.6689 0.0242 -5.4005 3 17.4656 81 89503 30313 7 7 12 6 6 a-Alanine, conf. II
99135.7351 0.2917 -5.8899 3 106.3970195 89503 303321022 311219 a-Alanine, conf. II
99190.8465 2.6071 -5.2798 3 352.0517339 89503 303562730 562631 a-Alanine, conf. II
99196.9050 49.6914 -5.5817 3 570.9647441 89503 303732746 732647 a-Alanine, conf. II
99213.5241 1.4663 -5.2857 3 150.1218207 89503 303342410 342311 a-Alanine, conf. II
99213.5241 1.4663 -5.2857 3 150.1218207 89503 303342411 342312 a-Alanine, conf. II
99228.8465 5.9360 -5.4962 3 521.5902417 89503 303693040 692941 a-Alanine, conf. II
99236.8492 0.3734 -5.4792 3 82.4761165 89503 303271413 271216 a-Alanine, conf. II
99263.2524 10.8833 -4.9372 3 394.6964369 89503 303612140 612141 a-Alanine, conf. II
99315.5450 41.3365 -5.2045 3 539.4517429 89503 303712645 712646 a-Alanine, conf. II
99331.5798 10.7694 -5.3341 3 394.6941369 89503 303612140 612041 a-Alanine, conf. II
99351.3676 1.4740 -5.2009 3 228.6872267 89503 303442519 442420 a-Alanine, conf. II
99351.4766 1.4739 -5.2009 3 228.6872267 89503 303442520 442421 a-Alanine, conf. II
99358.3052 0.1629 -5.5865 3 76.1441165 89503 30327 918 261115 a-Alanine, conf. II
99381.9121 25.7862 -5.6240 3 606.9104453 89503 303753046 752947 a-Alanine, conf. II
99393.1618 0.5915 -5.2747 3 161.5093249 89503 30341 833 41 734 a-Alanine, conf. II
99393.1618 0.5915 -4.7149 3 161.5093249 89503 30341 833 41 834 a-Alanine, conf. II
99393.1622 0.5915 -4.7149 3 161.5093249 89503 30341 933 41 734 a-Alanine, conf. II
99393.1622 0.5915 -5.2747 3 161.5093249 89503 30341 933 41 834 a-Alanine, conf. II
99420.3020120.1505 -5.8242 3 721.6602495 89503 303823151 823052 a-Alanine, conf. II
99446.6373 16.6227 -5.6511 3 625.1323459 89503 303763146 763047 a-Alanine, conf. II
99448.4936 8.1753 -5.2428 3 485.2251405 89503 303672741 672542 a-Alanine, conf. II
99475.2618 1.8955 -4.7446 3 268.4865309 89503 303511536 511537 a-Alanine, conf. II
99475.6248 1.8953 -5.2240 3 268.4865309 89503 303511536 511437 a-Alanine, conf. II
99479.3541 1.8934 -5.2239 3 268.4865309 89503 303511636 511537 a-Alanine, conf. II
99479.7171 1.8933 -4.7445 3 268.4865309 89503 303511636 511437 a-Alanine, conf. II
99501.3671110.8467 -5.4847 3 686.3578483 89503 303803050 803051 a-Alanine, conf. II
99516.8806 0.8003 -4.7116 3 234.3211291 89503 303481335 481336 a-Alanine, conf. II
99516.9145 0.8003 -5.2157 3 234.3211291 89503 303481335 481236 a-Alanine, conf. II
99517.3387 0.8002 -5.2157 3 234.3211291 89503 303481435 481336 a-Alanine, conf. II
99517.3726 0.8002 -4.7116 3 234.3211291 89503 303481435 481236 a-Alanine, conf. II
99518.6193 1.4946 -5.3083 3 143.6744201 89503 3033324 9 332310 a-Alanine, conf. II
99518.6193 1.4946 -5.3083 3 143.6744201 89503 303332410 332311 a-Alanine, conf. II
99542.2922 8.1305 -5.4012 3 452.8178387 89503 303642935 642836 a-Alanine, conf. II
99587.2005 24.2944 -5.5029 3 525.7511423 89503 303702744 702645 a-Alanine, conf. II
99620.2731 34.5173 -5.6195 3 599.0335447 89503 303743242 743143 a-Alanine, conf. II
99681.2602 0.7252 -5.4701 3 115.0757219 89503 30336 432 36 333 a-Alanine, conf. II
99681.2602 0.7252 -4.8713 3 115.0757219 89503 30336 432 36 433 a-Alanine, conf. II
99681.2602 0.7252 -4.8713 3 115.0757219 89503 30336 532 36 333 a-Alanine, conf. II
99681.2602 0.7252 -5.4701 3 115.0757219 89503 30336 532 36 433 a-Alanine, conf. II
99754.9857 4.4233 -5.3322 3 400.7840363 89503 303602832 602733 a-Alanine, conf. II
99757.4004 10.0718 -5.3304 3 394.6964369 89503 303612240 612141 a-Alanine, conf. II
99761.4032 0.0426 -5.2661 3 15.9881 75 89503 30312 8 5 11 7 4 a-Alanine, conf. II
99795.4151 1.5231 -5.3355 3 137.4233195 89503 3033224 8 3223 9 a-Alanine, conf. II
99795.4151 1.5231 -5.3355 3 137.4233195 89503 3033224 9 322310 a-Alanine, conf. II
99807.0856 0.0267 -5.7376 3 9.6579 63 89503 30310 6 5 9 4 6 a-Alanine, conf. II
99825.7278 9.9582 -4.9326 3 394.6941369 89503 303612240 612041 a-Alanine, conf. II
99841.3294 0.0429 -5.2656 3 15.9859 75 89503 30312 8 4 11 7 5 a-Alanine, conf. II
99843.1368 18.0724 -5.1325 3 495.4534411 89503 303682643 682444 a-Alanine, conf. II
99865.2048 14.1495 -4.9793 3 421.9065381 89503 303632241 632242 a-Alanine, conf. II
99909.8879 0.5943 -5.9327 3 138.4469219 89503 303361423 351620 a-Alanine, conf. II
99933.3119 90.2634 -5.8648 3 749.3460501 89503 303833548 833449 a-Alanine, conf. II
99947.0085 0.0159 -5.2178 3 31.6469111 89503 30318 513 17 612 a-Alanine, conf. II
99961.9189 4.0702 -5.5796 3 580.9616441 89503 303733143 733044 a-Alanine, conf. II
99979.0161 13.9214 -5.3633 3 421.9027381 89503 303632241 632142 a-Alanine, conf. II
99980.6492 1.7717 -5.2194 3 286.7167303 89503 303502624 502525 a-Alanine, conf. II
99985.2974 1.7680 -5.2194 3 286.7165303 89503 303502625 502526 a-Alanine, conf. II
100003.8595 1.4827 -5.1994 3 220.2593261 89503 303432518 432419 a-Alanine, conf. II
100003.8947 1.4827 -5.1994 3 220.2593261 89503 303432519 432420 a-Alanine, conf. II
100028.7656 48.6480 -5.6943 3 647.2673465 89503 303773344 773245 a-Alanine, conf. II
100043.3213 31.3685 -5.1384 3 508.7638417 89503 303692544 692545 a-Alanine, conf. II
100046.0724 1.5515 -5.3684 3 131.3677189 89503 3033124 7 3123 8 a-Alanine, conf. II
100046.0724 1.5515 -5.3684 3 131.3677189 89503 3033124 8 3123 9 a-Alanine, conf. II
100072.2743 38.4808 -5.5273 3 539.4264429 89503 303712645 712546 a-Alanine, conf. II
100106.3347 0.0307 -3.8903 3 30.4818105 89503 30317 8 9 16 8 8 a-Alanine, conf. II
100129.5583 67.0921 -5.7762 3 697.3724483 89503 303803446 803347 a-Alanine, conf. II
100133.0100 3.6844 -5.3290 3 400.7694363 89503 303602833 602734 a-Alanine, conf. II
100134.0954 0.0147 -4.9209 3 33.9448123 89503 30320 218 19 317 a-Alanine, conf. II
100134.1040 0.0147 -3.7540 3 33.9448123 89503 30320 318 19 317 a-Alanine, conf. II
100134.1224 0.0147 -3.7540 3 33.9448123 89503 30320 218 19 217 a-Alanine, conf. II
100134.1310 0.0147 -4.9209 3 33.9448123 89503 30320 318 19 217 a-Alanine, conf. II
100171.8464 0.0733 -5.5841 3 37.1929117 89503 30319 712 18 811 a-Alanine, conf. II
100178.1571 4.9029 -4.8197 3 328.8051339 89503 303561838 561839 a-Alanine, conf. II
100183.9589 4.8973 -5.2612 3 328.8049339 89503 303561838 561739 a-Alanine, conf. II
100208.0146 0.7489 -5.3562 3 121.6936201 89503 303331618 331419 a-Alanine, conf. II
100230.3483 4.8508 -5.2608 3 328.8051339 89503 303561938 561839 a-Alanine, conf. II
100235.5546 18.3853 -5.0265 3 449.9891393 89503 303652342 652343 a-Alanine, conf. II
100236.1501 4.8452 -4.8192 3 328.8049339 89503 303561938 561739 a-Alanine, conf. II
100272.5797 1.5798 -5.4084 3 125.5070183 89503 3033024 6 3023 7 a-Alanine, conf. II
100272.5797 1.5798 -5.4084 3 125.5070183 89503 3033024 7 3023 8 a-Alanine, conf. II
100319.1308 23.9532 -5.0793 3 478.9423405 89503 303672443 672444 a-Alanine, conf. II
100324.2603 27.6507 -5.5436 3 556.8811435 89503 303722845 722746 a-Alanine, conf. II
100371.1255 0.7324 -5.5673 3 105.8248213 89503 30335 332 35 233 a-Alanine, conf. II
100371.1255 0.7324 -4.9594 3 105.8248213 89503 30335 332 35 333 a-Alanine, conf. II
100371.1255 0.7324 -4.9594 3 105.8248213 89503 30335 432 35 233 a-Alanine, conf. II
100371.1255 0.7324 -5.5673 3 105.8248213 89503 30335 432 35 333 a-Alanine, conf. II
100376.2559 0.6984 -5.3012 3 151.0683243 89503 30340 733 40 634 a-Alanine, conf. II
100376.2559 0.6984 -4.7305 3 151.0683243 89503 30340 733 40 734 a-Alanine, conf. II
100376.2559 0.6984 -5.3012 3 151.0683243 89503 30340 833 40 734 a-Alanine, conf. II
100376.2560 0.6984 -4.7305 3 151.0683243 89503 30340 833 40 634 a-Alanine, conf. II
100381.0588 0.3951 -4.6921 3 190.8364267 89503 303441034 441035 a-Alanine, conf. II
100381.0592 0.3951 -5.2316 3 190.8364267 89503 303441034 44 935 a-Alanine, conf. II
100381.0658 0.3951 -5.2316 3 190.8364267 89503 303441134 441035 a-Alanine, conf. II
100381.0661 0.3951 -4.6921 3 190.8364267 89503 303441134 44 935 a-Alanine, conf. II
100422.2669 17.9405 -5.3970 3 449.9829393 89503 303652342 652243 a-Alanine, conf. II
100476.7747 1.6078 -5.4576 3 119.8406177 89503 3032924 5 2923 6 a-Alanine, conf. II
100476.7747 1.6078 -5.4576 3 119.8406177 89503 3032924 6 2923 7 a-Alanine, conf. II
100483.4609310.4879 -5.9046 3 907.6369555 89503 303923557 923558 a-Alanine, conf. II
100484.9786 2.4629 -5.2619 3 341.1907333 89503 303552728 552629 a-Alanine, conf. II
100496.6244 0.0124 -3.8271 3 31.6469111 89503 30318 613 17 612 a-Alanine, conf. II
100524.5855 29.7962 -5.4786 3 508.7478417 89503 303692544 692445 a-Alanine, conf. II
100533.2862 2.4008 -5.2614 3 341.1888333 89503 303552729 552630 a-Alanine, conf. II
100601.0985 1.4970 -5.1998 3 212.0343255 89503 303422517 422418 a-Alanine, conf. II
100601.1093 1.4970 -5.1998 3 212.0343255 89503 303422518 422419 a-Alanine, conf. II
100621.0128 23.1070 -5.4354 3 478.9322405 89503 303672443 672344 a-Alanine, conf. II
100645.2790 12.6281 -5.3577 3 421.9065381 89503 303632341 632242 a-Alanine, conf. II
100660.3620 1.6354 -5.5192 3 114.3681171 89503 3032824 4 2823 5 a-Alanine, conf. II
100660.3620 1.6354 -5.5192 3 114.3681171 89503 3032824 5 2823 6 a-Alanine, conf. II
100686.4360 5.1672 -5.3915 3 452.7725387 89503 303642936 642837 a-Alanine, conf. II
100756.1331 0.3771 -5.5229 3 77.2244159 89503 303261412 261215 a-Alanine, conf. II
100759.0903 12.4006 -4.9720 3 421.9027381 89503 303632341 632142 a-Alanine, conf. II
100787.1323 0.2194 -5.5580 3 77.3057165 89503 303271017 261214 a-Alanine, conf. II
100824.9289 1.6625 -5.5987 3 109.0889165 89503 3032724 3 2723 4 a-Alanine, conf. II
100824.9289 1.6625 -5.5987 3 109.0889165 89503 3032724 4 2723 5 a-Alanine, conf. II
100891.5711 25.6748 -5.6660 3 640.2078465 89503 303773147 773048 a-Alanine, conf. II
100922.9145 1.7229 -5.2093 3 277.0822297 89503 303492623 492524 a-Alanine, conf. II
100924.6692 1.7216 -5.2093 3 277.0822297 89503 303492624 492525 a-Alanine, conf. II
100960.3781 0.2664 -5.6588 3 84.8617171 89503 303281216 281019 a-Alanine, conf. II
100971.9571 1.6889 -5.7062 3 104.0025159 89503 3032624 2 2623 3 a-Alanine, conf. II
100971.9571 1.6889 -5.7062 3 104.0025159 89503 3032624 3 2623 4 a-Alanine, conf. II
100992.4570 6.5921 -5.4658 3 508.0610411 89503 303683039 682940 a-Alanine, conf. II
101000.3854 0.7248 -5.7163 3 96.8117207 89503 30334 232 34 133 a-Alanine, conf. II
101000.3854 0.7248 -5.0998 3 96.8117207 89503 30334 232 34 233 a-Alanine, conf. II
101000.3854 0.7248 -5.0998 3 96.8117207 89503 30334 332 34 133 a-Alanine, conf. II
101000.3854 0.7248 -5.7163 3 96.8117207 89503 30334 332 34 233 a-Alanine, conf. II
101017.5938 2.7147 -4.7597 3 291.2522321 89503 303531637 531638 a-Alanine, conf. II
101018.2992 2.7143 -5.2293 3 291.2522321 89503 303531637 531538 a-Alanine, conf. II
101019.7415 0.4567 -4.6947 3 222.2479285 89503 303471235 471236 a-Alanine, conf. II
101019.7473 0.4567 -5.2126 3 222.2479285 89503 303471235 471136 a-Alanine, conf. II
101019.8298 0.4567 -5.2126 3 222.2479285 89503 303471335 471236 a-Alanine, conf. II
101019.8356 0.4567 -4.6947 3 222.2479285 89503 303471335 471136 a-Alanine, conf. II
101025.0713 2.7097 -5.2292 3 291.2522321 89503 303531737 531638 a-Alanine, conf. II
101025.7767 2.7093 -4.7597 3 291.2522321 89503 303531737 531538 a-Alanine, conf. II
101057.4045 0.1118 -5.8441 3 56.7584141 89503 303231013 221112 a-Alanine, conf. II
101062.9701 19.2797 -5.1849 3 525.7018423 89503 303702744 702545 a-Alanine, conf. II
101102.8342 1.7147 -5.8650 3 99.1085153 89503 3032524 1 2523 2 a-Alanine, conf. II
101102.8342 1.7147 -5.8650 3 99.1085153 89503 3032524 2 2523 3 a-Alanine, conf. II
101135.1869 9.0285 -5.2578 3 542.7645429 89503 303712844 712645 a-Alanine, conf. II
101136.0028 30.7368 -5.5862 3 588.8738447 89503 303742946 742847 a-Alanine, conf. II
101148.0154 1.5158 -5.2022 3 204.0112249 89503 303412516 412417 a-Alanine, conf. II
101148.0186 1.5158 -5.2022 3 204.0112249 89503 303412517 412418 a-Alanine, conf. II
101149.1341 0.0121 -3.8203 3 31.6068111 89503 30318 513 17 512 a-Alanine, conf. II
101229.7651 11.7757 -5.4491 3 494.8136405 89503 303673037 672938 a-Alanine, conf. II
101234.0501 0.1257 -5.8687 3 67.3498153 89503 303251115 241212 a-Alanine, conf. II
101256.8467 1.2882 -4.7179 3 255.7262303 89503 303501436 501437 a-Alanine, conf. II
101256.9180 1.2882 -5.2127 3 255.7262303 89503 303501436 501337 a-Alanine, conf. II
101257.7439 1.2878 -5.2127 3 255.7262303 89503 303501536 501437 a-Alanine, conf. II
101257.8152 1.2878 -4.7179 3 255.7262303 89503 303501536 501337 a-Alanine, conf. II
101273.6981 0.7790 -5.3377 3 140.8569237 89503 30339 633 39 534 a-Alanine, conf. II
101273.6981 0.7790 -4.7567 3 140.8569237 89503 30339 633 39 634 a-Alanine, conf. II
101273.6981 0.7790 -4.7567 3 140.8569237 89503 30339 733 39 534 a-Alanine, conf. II
101273.6981 0.7790 -5.3377 3 140.8569237 89503 30339 733 39 634 a-Alanine, conf. II
101280.9765 0.3850 -5.5814 3 72.2127153 89503 303251412 251213 a-Alanine, conf. II
101292.8827 0.3805 -5.4126 3 105.3861189 89503 303311417 311220 a-Alanine, conf. II
101353.0381 0.0361 -5.3264 3 13.5275 75 89503 30312 5 7 11 3 8 a-Alanine, conf. II
101360.4194 6.5978 -5.5492 3 566.6265435 89503 303723142 723043 a-Alanine, conf. II
101372.9125 6.4973 -4.8476 3 353.8034351 89503 303581939 581940 a-Alanine, conf. II
101383.2708 6.4848 -5.2783 3 353.8031351 89503 303581939 581840 a-Alanine, conf. II
101448.1835 15.6096 -5.3885 3 449.9891393 89503 303652442 652343 a-Alanine, conf. II
101461.1226 6.3881 -5.2777 3 353.8034351 89503 303582039 581940 a-Alanine, conf. II
101471.4808 6.3756 -4.8468 3 353.8031351 89503 303582039 581840 a-Alanine, conf. II
101476.6432 0.1161 -4.7519 3 49.5327111 89503 3031817 1 1717 0 a-Alanine, conf. II
101476.6432 0.1161 -4.7519 3 49.5327111 89503 3031817 2 1717 1 a-Alanine, conf. II
101485.5134 0.0152 -3.8320 3 29.0807105 89503 30317 611 16 610 a-Alanine, conf. II
101527.4129 3.6592 -5.3076 3 389.0997357 89503 303592831 592732 a-Alanine, conf. II
101540.0537 0.5555 -4.6923 3 179.6833261 89503 30343 934 43 935 a-Alanine, conf. II
101540.0538 0.5555 -5.2435 3 179.6833261 89503 30343 934 43 835 a-Alanine, conf. II
101540.0547 0.5555 -5.2435 3 179.6833261 89503 303431034 43 935 a-Alanine, conf. II
101540.0548 0.5555 -4.6923 3 179.6833261 89503 303431034 43 835 a-Alanine, conf. II
101574.1871 0.7060 -5.3661 3 88.0382201 89503 30333 132 33 133 a-Alanine, conf. II
101574.1871 0.7060 -5.3661 3 88.0382201 89503 30333 232 33 033 a-Alanine, conf. II
101592.3625 0.0245 -4.8419 3 35.3878129 89503 30321 120 20 219 a-Alanine, conf. II
101592.3625 0.0245 -3.7107 3 35.3878129 89503 30321 220 20 219 a-Alanine, conf. II
101592.3626 0.0245 -3.7107 3 35.3878129 89503 30321 120 20 119 a-Alanine, conf. II
101592.3627 0.0245 -4.8419 3 35.3878129 89503 30321 220 20 119 a-Alanine, conf. II
101603.5772 0.0993 -4.4574 3 47.1630111 89503 3031816 2 1716 1 a-Alanine, conf. II
101603.5772 0.0993 -4.4574 3 47.1630111 89503 3031816 3 1716 2 a-Alanine, conf. II
101609.0235 4.8848 -5.2745 3 528.8267423 89503 303702843 702644 a-Alanine, conf. II
101621.3074 5.6754 -5.6660 3 643.5732465 89503 303773246 773147 a-Alanine, conf. II
101634.8958 15.1659 -5.0151 3 449.9829393 89503 303652442 652243 a-Alanine, conf. II
101648.9199 1.5380 -5.2068 3 196.1891243 89503 303402515 402416 a-Alanine, conf. II
101648.9208 1.5380 -5.2068 3 196.1891243 89503 303402516 402417 a-Alanine, conf. II
101688.0917 95.8768 -5.7493 3 686.2848483 89503 303803050 802951 a-Alanine, conf. II
101698.7500 0.0145 -5.1990 3 31.6068111 89503 30318 613 17 512 a-Alanine, conf. II
101701.5214 3.3375 -5.3062 3 389.0931357 89503 303592832 592733 a-Alanine, conf. II
101717.2615 14.0191 -5.6898 3 658.8829471 89503 303783247 783148 a-Alanine, conf. II
101740.7894 2.2631 -5.2452 3 330.5409327 89503 303542727 542628 a-Alanine, conf. II
101757.8180 0.0834 -4.2884 3 44.9414111 89503 3031815 3 1715 2 a-Alanine, conf. II
101757.8180 0.0834 -4.2884 3 44.9414111 89503 3031815 4 1715 3 a-Alanine, conf. II
101760.9858 2.2391 -5.2450 3 330.5401327 89503 303542728 542629 a-Alanine, conf. II
101782.9772 1.6936 -5.2010 3 267.6556291 89503 303482622 482523 a-Alanine, conf. II
101783.6160 1.6932 -5.2009 3 267.6556291 89503 303482623 482524 a-Alanine, conf. II
101892.8993 6.1772 -5.3693 3 440.3006381 89503 303632934 632835 a-Alanine, conf. II
101909.0346 0.0128 -5.0570 3 33.7305117 89503 30319 415 18 514 a-Alanine, conf. II
101926.5164 0.0127 -3.7840 3 33.7305117 89503 30319 515 18 514 a-Alanine, conf. II
101948.1410 0.0687 -4.1709 3 42.8691111 89503 3031814 5 1714 4 a-Alanine, conf. II
101948.1413 0.0687 -4.1709 3 42.8691111 89503 3031814 4 1714 3 a-Alanine, conf. II
101954.6684 0.0127 -3.7837 3 33.7290117 89503 30319 415 18 414 a-Alanine, conf. II
101959.4668 84.2523 -5.3922 3 651.8026471 89503 303782949 782950 a-Alanine, conf. II
101967.5161 0.0333 -5.3925 3 17.3935 81 89503 30313 7 6 12 6 7 a-Alanine, conf. II
101972.1503 0.0127 -5.0564 3 33.7290117 89503 30319 515 18 414 a-Alanine, conf. II
102023.2493 0.0259 -5.2715 3 14.0625 75 89503 30312 6 6 11 4 7 a-Alanine, conf. II
102065.1541 33.2688 -5.6306 3 621.7278459 89503 303763047 762948 a-Alanine, conf. II
102093.8849 0.8341 -5.3873 3 130.8774231 89503 30338 533 38 434 a-Alanine, conf. II
102093.8849 0.8341 -4.7966 3 130.8774231 89503 30338 533 38 534 a-Alanine, conf. II
102093.8849 0.8341 -4.7966 3 130.8774231 89503 30338 633 38 434 a-Alanine, conf. II
102093.8849 0.8341 -5.3873 3 130.8774231 89503 30338 633 38 534 a-Alanine, conf. II
102095.8505 1.1476 -5.3053 3 144.0804219 89503 303361720 361521 a-Alanine, conf. II
102107.6156 1.5629 -5.2135 3 188.5671237 89503 303392514 392415 a-Alanine, conf. II
102107.6158 1.5629 -5.2135 3 188.5671237 89503 303392515 392416 a-Alanine, conf. II
102151.4127 0.6427 -5.8539 3 110.4858195 89503 303321319 311516 a-Alanine, conf. II
102175.4432 19.0228 -5.4225 3 478.9423405 89503 303672543 672444 a-Alanine, conf. II
102187.4951 0.0552 -4.0817 3 40.9476111 89503 3031813 6 1713 5 a-Alanine, conf. II
102187.5060 0.0552 -4.0817 3 40.9476111 89503 3031813 5 1713 4 a-Alanine, conf. II
102271.2354 3.4006 -5.6382 3 628.4495459 89503 303763245 763146 a-Alanine, conf. II
102383.2398 0.3399 -4.6832 3 210.3916279 89503 303461135 461136 a-Alanine, conf. II
102383.2407 0.3399 -5.2140 3 210.3916279 89503 303461135 461036 a-Alanine, conf. II
102383.2554 0.3399 -5.2140 3 210.3916279 89503 303461235 461136 a-Alanine, conf. II
102383.2564 0.3399 -4.6832 3 210.3916279 89503 303461235 461036 a-Alanine, conf. II
102383.9042 0.3849 -5.5737 3 72.1763153 89503 303251411 251214 a-Alanine, conf. II
102452.4052 8.4861 -4.8797 3 379.6809363 89503 303602040 602041 a-Alanine, conf. II
102454.0107 4.7685 -5.3646 3 440.2787381 89503 303632935 632836 a-Alanine, conf. II
102470.5598 8.4589 -5.2995 3 379.6803363 89503 303602040 601941 a-Alanine, conf. II
102475.3718 3.7581 -4.7793 3 314.9031333 89503 303551738 551739 a-Alanine, conf. II
102476.7091 3.7570 -5.2390 3 314.9031333 89503 303551738 551639 a-Alanine, conf. II
102477.3253 18.1790 -5.0619 3 478.9322405 89503 303672543 672344 a-Alanine, conf. II
102488.7443 3.7465 -5.2389 3 314.9031333 89503 303551838 551739 a-Alanine, conf. II
102490.0816 3.7454 -4.7792 3 314.9031333 89503 303551838 551639 a-Alanine, conf. II
102495.8983 0.0430 -4.0105 3 39.1793111 89503 3031812 7 1712 6 a-Alanine, conf. II
102496.1872 0.0430 -4.0105 3 39.1793111 89503 3031812 6 1712 5 a-Alanine, conf. II
102527.4873 1.5897 -5.2228 3 181.1443231 89503 303382513 382414 a-Alanine, conf. II
102527.4874 1.5897 -5.2228 3 181.1443231 89503 303382514 382415 a-Alanine, conf. II
102547.9396165.3424 -5.6246 3 774.5511513 89503 303853253 853254 a-Alanine, conf. II
102557.1623 0.0313 -3.8326 3 29.6737105 89503 30317 710 16 7 9 a-Alanine, conf. II
102565.7065 18.9696 -5.2399 3 556.8063435 89503 303722845 722646 a-Alanine, conf. II
102569.9979 1.6789 -5.1943 3 258.4354285 89503 303472621 472522 a-Alanine, conf. II
102570.2219 1.6788 -5.1943 3 258.4354285 89503 303472622 472523 a-Alanine, conf. II
102597.7606 0.7064 -5.2620 3 168.7552255 89503 30342 834 42 735 a-Alanine, conf. II
102597.7606 0.7064 -4.6997 3 168.7552255 89503 30342 834 42 835 a-Alanine, conf. II
102597.7607 0.7064 -4.6997 3 168.7552255 89503 30342 934 42 735 a-Alanine, conf. II
102597.7607 0.7064 -5.2620 3 168.7552255 89503 30342 934 42 835 a-Alanine, conf. II
102598.9828 8.2648 -5.2984 3 379.6809363 89503 303602140 602041 a-Alanine, conf. II
102617.1374 8.2376 -4.8784 3 379.6803363 89503 303602140 601941 a-Alanine, conf. II
102638.9224 0.0230 -5.4044 3 20.0404 87 89503 30314 7 8 13 6 7 a-Alanine, conf. II
102655.6371 24.2922 -5.7089 3 674.3672477 89503 303793248 793149 a-Alanine, conf. II
102672.1093 0.4954 -5.4395 3 95.2514177 89503 303291515 291316 a-Alanine, conf. II
102708.0387 17.0406 -5.5040 3 538.6819423 89503 303703139 703040 a-Alanine, conf. II
102793.1530 0.1653 -5.8630 3 73.7955159 89503 303261215 251312 a-Alanine, conf. II
102797.1619 16.9391 -5.2165 3 391.3751363 89503 303602536 602337 a-Alanine, conf. II
102840.9781 22.8441 -5.4596 3 508.7638417 89503 303692644 692545 a-Alanine, conf. II
102844.0002 0.8661 -5.4554 3 121.1318225 89503 30337 433 37 334 a-Alanine, conf. II
102844.0002 0.8661 -4.8555 3 121.1318225 89503 30337 433 37 434 a-Alanine, conf. II
102844.0002 0.8661 -4.8555 3 121.1318225 89503 30337 533 37 334 a-Alanine, conf. II
102844.0002 0.8661 -5.4554 3 121.1318225 89503 30337 533 37 434 a-Alanine, conf. II
102851.0237 6.5632 -5.4357 3 494.7489405 89503 303673038 672939 a-Alanine, conf. II
102863.1744 0.7921 -4.6966 3 243.1766297 89503 303491336 491337 a-Alanine, conf. II
102863.1873 0.7921 -5.2056 3 243.1766297 89503 303491336 491237 a-Alanine, conf. II
102863.3562 0.7921 -5.2056 3 243.1766297 89503 303491436 491337 a-Alanine, conf. II
102863.3691 0.7921 -4.6966 3 243.1766297 89503 303491436 491237 a-Alanine, conf. II
102874.6587 2.1268 -5.2304 3 320.1040321 89503 303532726 532627 a-Alanine, conf. II
102875.2865 14.3712 -5.2047 3 353.8866345 89503 303572434 572235 a-Alanine, conf. II
102882.8189 2.1178 -5.2303 3 320.1037321 89503 303532727 532628 a-Alanine, conf. II
102904.8502 0.0327 -3.9515 3 37.5677111 89503 3031811 8 1711 7 a-Alanine, conf. II
102910.3523 0.0327 -3.9514 3 37.5678111 89503 3031811 7 1711 6 a-Alanine, conf. II
102911.5697 1.6181 -5.2347 3 173.9200225 89503 303372512 372413 a-Alanine, conf. II
102911.5697 1.6181 -5.2347 3 173.9200225 89503 303372513 372414 a-Alanine, conf. II
102922.1954 1.9458 -4.7291 3 278.0202315 89503 303521537 521538 a-Alanine, conf. II
102922.3405 1.9457 -5.2146 3 278.0202315 89503 303521537 521438 a-Alanine, conf. II
102923.9063 1.9448 -5.2146 3 278.0202315 89503 303521637 521538 a-Alanine, conf. II
102924.0514 1.9448 -4.7291 3 278.0202315 89503 303521637 521438 a-Alanine, conf. II
102925.8992 0.0974 -5.0939 3 16.1655 69 89503 3031110 2 10 9 1 a-Alanine, conf. II
102925.9079 0.0974 -5.0939 3 16.1655 69 89503 3031110 1 10 9 2 a-Alanine, conf. II
103033.2873 18.8494 -5.2346 3 430.7237381 89503 303632638 632439 a-Alanine, conf. II
103047.5175 0.0149 -3.8179 3 32.6927111 89503 30318 712 17 711 a-Alanine, conf. II
103056.3418 0.0455 -3.6687 3 36.6494135 89503 30322 022 21 021 a-Alanine, conf. II
103056.3418 0.0455 -4.7726 3 36.6494135 89503 30322 022 21 121 a-Alanine, conf. II
103056.3418 0.0455 -4.7726 3 36.6494135 89503 30322 122 21 021 a-Alanine, conf. II
103056.3418 0.0455 -3.6687 3 36.6494135 89503 30322 122 21 121 a-Alanine, conf. II
103072.4775 3.1640 -5.2859 3 377.6369351 89503 303582830 582731 a-Alanine, conf. II
103081.4815 7.9117 -5.5175 3 552.5009429 89503 303713141 713042 a-Alanine, conf. II
103108.1371 0.0423 -5.6579 3 16.6011 81 89503 30313 6 7 12 5 8 a-Alanine, conf. II
103149.9202 3.0300 -5.2852 3 377.6339351 89503 303582831 582732 a-Alanine, conf. II
103155.8665 34.9236 -5.6765 3 655.4420471 89503 303783148 783049 a-Alanine, conf. II
103171.4537 11.5486 -5.1990 3 318.2641327 89503 303542332 542133 a-Alanine, conf. II
103262.6009 1.6475 -5.2496 3 166.8936219 89503 303362511 362412 a-Alanine, conf. II
103262.6009 1.6475 -5.2496 3 166.8936219 89503 303362512 362413 a-Alanine, conf. II
103291.4478 1.6754 -5.1894 3 249.4204279 89503 303462620 462521 a-Alanine, conf. II
103291.5234 1.6753 -5.1894 3 249.4204279 89503 303462621 462522 a-Alanine, conf. II
103305.4982 1.8221 -5.2670 3 168.3727237 89503 303391822 391623 a-Alanine, conf. II
103305.8083 0.0136 -4.9491 3 35.6065123 89503 30320 317 19 416 a-Alanine, conf. II
103306.1006 0.0136 -3.7416 3 35.6065123 89503 30320 417 19 416 a-Alanine, conf. II
103306.6626 0.0136 -3.7416 3 35.6064123 89503 30320 317 19 316 a-Alanine, conf. II
103306.9549 0.0136 -4.9491 3 35.6064123 89503 30320 417 19 316 a-Alanine, conf. II
103322.2423 21.2765 -5.1121 3 508.7478417 89503 303692644 692445 a-Alanine, conf. II
103398.4735 75.4651 -5.6808 3 651.7546471 89503 303782949 782850 a-Alanine, conf. II
103402.8623 10.9653 -4.9161 3 406.4356375 89503 303622141 622142 a-Alanine, conf. II
103434.1393 10.9083 -5.3246 3 406.4346375 89503 303622141 622042 a-Alanine, conf. II
103449.8528 0.0252 -3.9012 3 36.1185111 89503 3031810 9 1710 8 a-Alanine, conf. II
103464.1167 27.0071 -5.4996 3 539.4517429 89503 303712745 712646 a-Alanine, conf. II
103501.6854 0.3963 -5.6352 3 67.3498147 89503 303241411 241212 a-Alanine, conf. II
103510.1859 6.9140 -5.6074 3 613.5229453 89503 303753244 753145 a-Alanine, conf. II
103523.7163 0.0260 -3.9006 3 36.1196111 89503 3031810 8 1710 7 a-Alanine, conf. II
103530.2620 0.8776 -5.5523 3 111.6223219 89503 30336 333 36 234 a-Alanine, conf. II
103530.2620 0.8776 -4.9436 3 111.6223219 89503 30336 333 36 334 a-Alanine, conf. II
103530.2620 0.8776 -4.9436 3 111.6223219 89503 30336 433 36 234 a-Alanine, conf. II
103530.2620 0.8776 -5.5523 3 111.6223219 89503 30336 433 36 334 a-Alanine, conf. II
103530.5282 0.3195 -5.5446 3 97.7605183 89503 303301317 301120 a-Alanine, conf. II
103564.9333 0.8300 -5.2884 3 158.0547249 89503 30341 734 41 635 a-Alanine, conf. II
103564.9333 0.8300 -4.7156 3 158.0547249 89503 30341 734 41 735 a-Alanine, conf. II
103564.9333 0.8300 -4.7156 3 158.0547249 89503 30341 834 41 635 a-Alanine, conf. II
103564.9333 0.8300 -5.2884 3 158.0547249 89503 30341 834 41 735 a-Alanine, conf. II
103565.3672 8.8033 -5.1994 3 284.5143309 89503 303512230 512031 a-Alanine, conf. II
103583.0660 1.6777 -5.2680 3 160.0641213 89503 303352510 352411 a-Alanine, conf. II
103583.0660 1.6777 -5.2680 3 160.0641213 89503 303352511 352412 a-Alanine, conf. II
103609.1610 0.2236 -5.8770 3 80.5852165 89503 303271315 261412 a-Alanine, conf. II
103625.1401 0.4762 -4.6776 3 198.7554273 89503 303451035 451036 a-Alanine, conf. II
103625.1403 0.4762 -5.2203 3 198.7554273 89503 303451035 45 936 a-Alanine, conf. II
103625.1426 0.4762 -5.2203 3 198.7554273 89503 303451135 451036 a-Alanine, conf. II
103625.1428 0.4762 -4.6776 3 198.7554273 89503 303451135 45 936 a-Alanine, conf. II
103642.5482 10.5299 -5.3229 3 406.4356375 89503 303622241 622142 a-Alanine, conf. II
103650.6585 64.1230 -5.3093 3 618.1057459 89503 303762848 762849 a-Alanine, conf. II
103650.9940 19.6697 -5.2589 3 471.9269399 89503 303662740 662541 a-Alanine, conf. II
103673.8252 10.4729 -4.9140 3 406.4346375 89503 303622241 622042 a-Alanine, conf. II
103841.4273 0.6169 -5.8888 3 145.4686225 89503 303371424 361621 a-Alanine, conf. II
103844.4817 5.0679 -4.8032 3 339.4374345 89503 303571839 571840 a-Alanine, conf. II
103846.9615 5.0653 -5.2528 3 339.4373345 89503 303571839 571740 a-Alanine, conf. II
103860.6885 4.9464 -5.3415 3 428.0146375 89503 303622933 622834 a-Alanine, conf. II
103867.9290 5.0421 -5.2527 3 339.4374345 89503 303571939 571840 a-Alanine, conf. II
103870.4089 5.0395 -4.8029 3 339.4373345 89503 303571939 571740 a-Alanine, conf. II
103875.2331 1.7082 -5.2903 3 153.4312207 89503 3033425 9 342410 a-Alanine, conf. II
103875.2331 1.7082 -5.2903 3 153.4312207 89503 303342510 342411 a-Alanine, conf. II
103882.5744 8.7229 -5.4132 3 481.6884399 89503 303663036 662937 a-Alanine, conf. II
103905.5666 2.0334 -5.2174 3 309.8779315 89503 303522725 522626 a-Alanine, conf. II
103908.7530 2.0302 -5.2174 3 309.8778315 89503 303522726 522627 a-Alanine, conf. II
103919.9883 6.3701 -5.2060 3 252.6439291 89503 303482128 481929 a-Alanine, conf. II
103930.5720 2.8744 -5.2389 3 194.5672255 89503 303421924 421725 a-Alanine, conf. II
103953.5951 1.6806 -5.1862 3 240.6093273 89503 303452619 452520 a-Alanine, conf. II
103953.6197 1.6805 -5.1862 3 240.6093273 89503 303452620 452521 a-Alanine, conf. II
103954.8911 0.3966 -5.6320 3 67.3348147 89503 303241410 241213 a-Alanine, conf. II
103955.8102 24.5261 -5.5660 3 584.4213441 89503 303733241 733142 a-Alanine, conf. II
104057.0019 0.0215 -3.8584 3 34.8379111 89503 30318 910 17 9 9 a-Alanine, conf. II
104070.1879 31.3890 -5.5423 3 571.0038441 89503 303732846 732747 a-Alanine, conf. II
104090.0290 4.3805 -5.2189 3 222.6595273 89503 303452026 451827 a-Alanine, conf. II
104125.8148 4.3093 -5.3393 3 428.0044375 89503 303622934 622835 a-Alanine, conf. II
104140.2285 3.0560 -5.3123 3 574.2735441 89503 303732945 732746 a-Alanine, conf. II
104141.1821 1.7389 -5.3173 3 146.9940201 89503 3033325 8 3324 9 a-Alanine, conf. II
104141.1821 1.7389 -5.3173 3 146.9940201 89503 3033325 9 332410 a-Alanine, conf. II
104158.1087 0.8718 -5.7011 3 102.3505213 89503 30335 233 35 134 a-Alanine, conf. II
104158.1087 0.8718 -5.0839 3 102.3505213 89503 30335 233 35 234 a-Alanine, conf. II
104158.1087 0.8718 -5.0839 3 102.3505213 89503 30335 333 35 134 a-Alanine, conf. II
104158.1087 0.8718 -5.7011 3 102.3505213 89503 30335 333 35 234 a-Alanine, conf. II
104196.4707 0.4627 -5.3577 3 107.0102189 89503 303311516 311319 a-Alanine, conf. II
104202.0205 0.0646 -5.1563 3 17.0359 75 89503 30312 9 4 11 8 3 a-Alanine, conf. II
104205.4394 0.0646 -5.1563 3 17.0358 75 89503 30312 9 3 11 8 4 a-Alanine, conf. II
104205.4919 0.0189 -3.8277 3 33.7170111 89503 30318 811 17 810 a-Alanine, conf. II
104205.5420 14.0668 -4.9569 3 434.0655387 89503 303642242 642243 a-Alanine, conf. II
104220.8461 24.1605 -5.1655 3 539.4264429 89503 303712745 712546 a-Alanine, conf. II
104230.6857 0.2989 -5.8977 3 87.7134171 89503 303281415 271512 a-Alanine, conf. II
104258.5668 13.9507 -5.3536 3 434.0637387 89503 303642242 642143 a-Alanine, conf. II
104274.9702 10.2883 -5.7293 3 693.4995483 89503 303803348 803249 a-Alanine, conf. II
104314.6462 0.4597 -5.3431 3 113.2387195 89503 303321517 321320 a-Alanine, conf. II
104320.2917 0.4413 -4.6805 3 230.8414291 89503 303481236 481237 a-Alanine, conf. II
104320.2939 0.4413 -5.2026 3 230.8414291 89503 303481236 481137 a-Alanine, conf. II
104320.3257 0.4413 -5.2026 3 230.8414291 89503 303481336 481237 a-Alanine, conf. II
104320.3279 0.4413 -4.6805 3 230.8414291 89503 303481336 481137 a-Alanine, conf. II
104382.8292 1.7696 -5.3501 3 140.7521195 89503 3033225 7 3224 8 a-Alanine, conf. II
104382.8292 1.7696 -5.3501 3 140.7521195 89503 3033225 8 3224 9 a-Alanine, conf. II
104445.7998 2.8315 -5.2664 3 366.3915345 89503 303572829 572730 a-Alanine, conf. II
104450.5985 0.9238 -5.3247 3 147.5842243 89503 30340 634 40 535 a-Alanine, conf. II
104450.5985 0.9238 -4.7420 3 147.5842243 89503 30340 634 40 635 a-Alanine, conf. II
104450.5985 0.9238 -4.7420 3 147.5842243 89503 30340 734 40 535 a-Alanine, conf. II
104450.5985 0.9238 -5.3247 3 147.5842243 89503 30340 734 40 635 a-Alanine, conf. II
104451.1528 35.3620 -5.7234 3 690.0154483 89503 303803249 803150 a-Alanine, conf. II
104452.4758 0.2284 -5.8688 3 80.5841165 89503 303271314 261413 a-Alanine, conf. II
104479.1059 2.7778 -5.2661 3 366.3903345 89503 303572830 572731 a-Alanine, conf. II
104479.6961 0.3021 -5.8953 3 87.7132171 89503 303281414 271513 a-Alanine, conf. II
104489.3575 16.1021 -5.2970 3 588.7619447 89503 303742946 742747 a-Alanine, conf. II
104510.8207 2.7992 -4.7448 3 301.2016327 89503 303541638 541639 a-Alanine, conf. II
104511.1077 2.7990 -5.2209 3 301.2016327 89503 303541638 541539 a-Alanine, conf. II
104514.0059 2.7969 -5.2209 3 301.2016327 89503 303541738 541639 a-Alanine, conf. II
104514.2929 2.7967 -4.7448 3 301.2016327 89503 303541738 541539 a-Alanine, conf. II
104561.8039 1.6925 -5.1848 3 232.0012267 89503 303442618 442519 a-Alanine, conf. II
104561.8116 1.6925 -5.1848 3 232.0012267 89503 303442619 442520 a-Alanine, conf. II
104585.0580 59.0739 -5.6186 3 618.0745459 89503 303762848 762749 a-Alanine, conf. II
104591.5085 13.2331 -5.3509 3 434.0655387 89503 303642342 642243 a-Alanine, conf. II
104601.9470 1.8002 -5.3899 3 134.7048189 89503 3033125 6 3124 7 a-Alanine, conf. II
104601.9470 1.8002 -5.3899 3 134.7048189 89503 3033125 7 3124 8 a-Alanine, conf. II
104636.8236 1.2988 -4.7037 3 264.9962309 89503 303511437 511438 a-Alanine, conf. II
104636.8512 1.2988 -5.2038 3 264.9962309 89503 303511437 511338 a-Alanine, conf. II
104637.1866 1.2986 -5.2038 3 264.9962309 89503 303511537 511438 a-Alanine, conf. II
104637.2142 1.2986 -4.7037 3 264.9962309 89503 303511537 511338 a-Alanine, conf. II
104644.5333 13.1171 -4.9534 3 434.0637387 89503 303642342 642143 a-Alanine, conf. II
104651.9930 3.2278 -5.7017 3 677.7914477 89503 303793347 793248 a-Alanine, conf. II
104687.5633 18.9821 -5.2894 3 514.9802417 89503 303692842 692643 a-Alanine, conf. II
104690.7170 35.8000 -5.5873 3 603.4183453 89503 303752947 752848 a-Alanine, conf. II
104698.0276 6.1500 -5.4066 3 481.6563399 89503 303663037 662938 a-Alanine, conf. II
104699.5863 21.4588 -5.7526 3 709.3888489 89503 303813349 813250 a-Alanine, conf. II
104710.5362 0.0276 -3.8527 3 34.8516111 89503 30318 9 9 17 9 8 a-Alanine, conf. II
104711.8421 49.0791 -5.2349 3 585.2691447 89503 303742747 742748 a-Alanine, conf. II
104732.3410 0.8521 -5.3502 3 93.3183207 89503 30334 133 34 134 a-Alanine, conf. II
104732.3410 0.8521 -5.3502 3 93.3183207 89503 30334 233 34 034 a-Alanine, conf. II
104742.8262 0.0181 -4.8620 3 37.2849129 89503 30321 219 20 318 a-Alanine, conf. II
104742.8289 0.0181 -3.6995 3 37.2849129 89503 30321 319 20 318 a-Alanine, conf. II
104742.8348 0.0181 -3.6995 3 37.2849129 89503 30321 219 20 218 a-Alanine, conf. II
104742.8375 0.0181 -4.8620 3 37.2849129 89503 30321 319 20 218 a-Alanine, conf. II
104759.6682 0.6685 -5.2322 3 187.3420267 89503 30344 935 44 836 a-Alanine, conf. II
104759.6682 0.6685 -4.6782 3 187.3420267 89503 30344 935 44 936 a-Alanine, conf. II
104759.6685 0.6685 -5.2322 3 187.3420267 89503 303441035 44 936 a-Alanine, conf. II
104759.6686 0.6685 -4.6782 3 187.3420267 89503 303441035 44 836 a-Alanine, conf. II
104761.4417 0.9391 -5.8813 3 125.0467207 89503 303341420 331617 a-Alanine, conf. II
104800.1816 1.8304 -5.4389 3 128.8517183 89503 3033025 5 3024 6 a-Alanine, conf. II
104800.1816 1.8304 -5.4389 3 128.8517183 89503 3033025 6 3024 7 a-Alanine, conf. II
104834.8372 17.9757 -5.0021 3 462.5685399 89503 303662343 662344 a-Alanine, conf. II
104847.1958 1.9707 -5.2061 3 299.8610309 89503 303512724 512625 a-Alanine, conf. II
104848.3981 1.9696 -5.2061 3 299.8609309 89503 303512725 512626 a-Alanine, conf. II
104923.3777 17.7453 -5.3867 3 462.5655399 89503 303662343 662244 a-Alanine, conf. II
104930.3993 0.0146 -5.1229 3 34.9991117 89503 30319 514 18 613 a-Alanine, conf. II
104951.7535 34.9753 -5.6349 3 632.0306459 89503 303763343 763244 a-Alanine, conf. II
104960.8891 8.2067 -5.4857 3 538.5910423 89503 303703140 703041 a-Alanine, conf. II
104963.8901 0.2256 -5.7133 3 100.1321189 89503 303311021 301218 a-Alanine, conf. II
104979.0664 1.8601 -5.5003 3 123.1922177 89503 3032925 4 2924 5 a-Alanine, conf. II
104979.0664 1.8601 -5.5003 3 123.1922177 89503 3032925 5 2924 6 a-Alanine, conf. II
105107.8515 0.4664 -5.3828 3 100.9687183 89503 303301515 301318 a-Alanine, conf. II
105119.6903 6.6955 -4.8312 3 364.8531357 89503 303591940 591941 a-Alanine, conf. II
105120.7307 1.7099 -5.1853 3 223.5951261 89503 303432617 432518 a-Alanine, conf. II
105120.7330 1.7099 -5.1853 3 223.5951261 89503 303432618 432519 a-Alanine, conf. II
105124.1962 6.6895 -5.2707 3 364.8530357 89503 303591940 591841 a-Alanine, conf. II
105127.5734242.0382 -5.7817 3 867.9785543 89503 303903456 903457 a-Alanine, conf. II
105140.0350 1.8893 -5.5795 3 117.7258171 89503 3032825 3 2824 4 a-Alanine, conf. II
105140.0350 1.8893 -5.5795 3 117.7258171 89503 3032825 4 2824 5 a-Alanine, conf. II
105149.7227 0.0250 -5.4058 3 22.8447 93 89503 30315 7 9 14 6 8 a-Alanine, conf. II
105154.5438 9.2030 -5.5748 3 598.8027447 89503 303743243 743144 a-Alanine, conf. II
105159.1868 0.0416 -5.2425 3 18.2867 81 89503 30313 8 6 12 7 5 a-Alanine, conf. II
105160.0590 6.6405 -5.2704 3 364.8531357 89503 303592040 591941 a-Alanine, conf. II
105164.5649 6.6346 -4.8308 3 364.8530357 89503 303592040 591841 a-Alanine, conf. II
105168.3019 0.0132 -3.7686 3 34.9991117 89503 30319 614 18 613 a-Alanine, conf. II
105211.3602 0.4112 -5.6999 3 62.7064141 89503 303231410 231211 a-Alanine, conf. II
105216.5299140.4711 -5.8728 3 774.4621513 89503 303853253 853154 a-Alanine, conf. II
105243.8813 26.3344 -5.2218 3 570.9647441 89503 303732846 732647 a-Alanine, conf. II
105245.4397 0.1118 -5.7299 3 51.1466135 89503 30322 913 211012 a-Alanine, conf. II
105255.7962 22.9581 -5.0521 3 491.9425411 89503 303682444 682445 a-Alanine, conf. II
105262.4377 0.9893 -5.3740 3 137.3457237 89503 30339 534 39 435 a-Alanine, conf. II
105262.4377 0.9893 -4.7819 3 137.3457237 89503 30339 534 39 535 a-Alanine, conf. II
105262.4378 0.9893 -4.7819 3 137.3457237 89503 30339 634 39 435 a-Alanine, conf. II
105262.4378 0.9893 -5.3740 3 137.3457237 89503 30339 634 39 535 a-Alanine, conf. II
105267.2750 37.8479 -5.1679 3 553.2950435 89503 303722646 722647 a-Alanine, conf. II
105284.4303 1.9179 -5.6869 3 112.4521165 89503 3032725 2 2724 3 a-Alanine, conf. II
105284.4303 1.9179 -5.6869 3 112.4521165 89503 3032725 3 2724 4 a-Alanine, conf. II
105310.7035 46.2375 -5.5623 3 585.2491447 89503 303742747 742648 a-Alanine, conf. II
105356.3867 0.1711 -5.8358 3 73.7914159 89503 303261214 251313 a-Alanine, conf. II
105363.0671 39.9762 -5.6345 3 636.6932465 89503 303773048 772949 a-Alanine, conf. II
105383.3945 0.4114 -5.6986 3 62.7007141 89503 3032314 9 231212 a-Alanine, conf. II
105401.5218 22.5116 -5.4238 3 491.9376411 89503 303682444 682345 a-Alanine, conf. II
105413.5142 1.9458 -5.8456 3 107.3706159 89503 3032625 1 2624 2 a-Alanine, conf. II
105413.5142 1.9458 -5.8456 3 107.3706159 89503 3032625 2 2624 3 a-Alanine, conf. II
105421.0447 29.3983 -5.1071 3 522.1854423 89503 303702545 702546 a-Alanine, conf. II
105444.0866 0.0428 -5.2409 3 18.2790 81 89503 30313 8 5 12 7 6 a-Alanine, conf. II
105447.2010 16.4203 -5.3825 3 462.5685399 89503 303662443 662344 a-Alanine, conf. II
105467.4930 0.0223 -5.6963 3 10.8042 69 89503 30311 5 7 10 3 8 a-Alanine, conf. II
105480.0152 0.0130 -3.7656 3 34.9808117 89503 30319 514 18 513 a-Alanine, conf. II
105535.1288126.6660 -5.5229 3 737.8638501 89503 303833152 833153 a-Alanine, conf. II
105535.7415 16.1902 -4.9966 3 462.5655399 89503 303662443 662244 a-Alanine, conf. II
105559.1174 4.1501 -5.3169 3 415.9531369 89503 303612932 612833 a-Alanine, conf. II
105634.4628 1.7314 -5.1876 3 215.3900255 89503 303422616 422517 a-Alanine, conf. II
105634.4634 1.7314 -5.1876 3 215.3900255 89503 303422617 422518 a-Alanine, conf. II
105646.1287 36.2815 -5.5113 3 553.2823435 89503 303722646 722547 a-Alanine, conf. II
105647.9096 0.3852 -4.6697 3 218.7239285 89503 303471136 471137 a-Alanine, conf. II
105647.9100 0.3852 -5.2041 3 218.7239285 89503 303471136 471037 a-Alanine, conf. II
105647.9155 0.3852 -5.2041 3 218.7239285 89503 303471236 471137 a-Alanine, conf. II
105647.9158 0.3852 -4.6697 3 218.7239285 89503 303471236 471037 a-Alanine, conf. II
105657.5910 28.5528 -5.4653 3 522.1775423 89503 303702545 702446 a-Alanine, conf. II
105664.5905 0.6728 -5.8725 3 127.4309213 89503 303351124 341321 a-Alanine, conf. II
105676.6555 49.2517 -5.7108 3 681.5081477 89503 303793445 793346 a-Alanine, conf. II
105680.1258 3.8745 -5.3159 3 415.9485369 89503 303612933 612834 a-Alanine, conf. II
105682.5090 2.6015 -5.2489 3 355.3608339 89503 303562828 562729 a-Alanine, conf. II
105695.1855 6.6638 -5.6706 3 662.2758471 89503 303783346 783247 a-Alanine, conf. II
105696.3682 2.5808 -5.2488 3 355.3603339 89503 303562829 562730 a-Alanine, conf. II
105709.9945 1.9306 -5.1964 3 290.0517303 89503 303502723 502624 a-Alanine, conf. II
105710.4326 1.9302 -5.1964 3 290.0517303 89503 303502724 502625 a-Alanine, conf. II
105710.5845 12.3867 -5.4639 3 524.9462417 89503 303693138 693039 a-Alanine, conf. II
105717.9178 0.0135 -5.1152 3 34.9808117 89503 30319 614 18 513 a-Alanine, conf. II
105798.4848 0.8419 -5.2506 3 176.1542261 89503 30343 835 43 736 a-Alanine, conf. II
105798.4848 0.8419 -4.6859 3 176.1542261 89503 30343 835 43 836 a-Alanine, conf. II
105798.4848 0.8419 -5.2506 3 176.1542261 89503 30343 935 43 836 a-Alanine, conf. II
105798.4849 0.8419 -4.6859 3 176.1542261 89503 30343 935 43 736 a-Alanine, conf. II
105904.1961 0.0132 -3.7816 3 32.4659111 89503 30318 612 17 611 a-Alanine, conf. II
105990.0745 34.2615 -5.7713 3 725.4478495 89503 303823350 823251 a-Alanine, conf. II
106007.0670 1.0289 -5.4419 3 127.3413231 89503 30338 434 38 335 a-Alanine, conf. II
106007.0670 1.0289 -4.8409 3 127.3413231 89503 30338 434 38 435 a-Alanine, conf. II
106007.0670 1.0289 -4.8409 3 127.3413231 89503 30338 534 38 335 a-Alanine, conf. II
106007.0670 1.0289 -5.4419 3 127.3413231 89503 30338 534 38 435 a-Alanine, conf. II
106011.5384 0.0327 -5.2615 3 36.1300117 89503 30319 613 18 712 a-Alanine, conf. II
106020.1794 3.8824 -4.7649 3 325.2685339 89503 303561739 561740 a-Alanine, conf. II
106020.7334 3.8819 -5.2316 3 325.2684339 89503 303561739 561640 a-Alanine, conf. II
106025.9812 3.8769 -5.2315 3 325.2685339 89503 303561839 561740 a-Alanine, conf. II
106026.5352 3.8764 -4.7649 3 325.2684339 89503 303561839 561640 a-Alanine, conf. II
106034.1898 0.4761 -5.3445 3 119.6450201 89503 303331518 331321 a-Alanine, conf. II
106072.8094 6.7866 -5.3822 3 468.7993393 89503 303653035 652936 a-Alanine, conf. II
106106.6198 1.7563 -5.1921 3 207.3852249 89503 303412615 412516 a-Alanine, conf. II
106106.6200 1.7563 -5.1921 3 207.3852249 89503 303412616 412517 a-Alanine, conf. II
106116.2309 68.2759 -5.7935 3 732.8519495 89503 303823547 823448 a-Alanine, conf. II
106129.4068 43.5820 -5.6834 3 670.8271477 89503 303793149 793050 a-Alanine, conf. II
106152.7393 16.4213 -5.3259 3 559.8797435 89503 303722944 722745 a-Alanine, conf. II
106154.2911 0.7359 -5.8895 3 154.6839231 89503 303381524 371721 a-Alanine, conf. II
106191.3260 0.7721 -4.6833 3 252.1840303 89503 303501337 501338 a-Alanine, conf. II
106191.3309 0.7721 -5.1968 3 252.1840303 89503 303501337 501238 a-Alanine, conf. II
106191.3973 0.7721 -5.1968 3 252.1840303 89503 303501437 501338 a-Alanine, conf. II
106191.4022 0.7721 -4.6833 3 252.1840303 89503 303501437 501238 a-Alanine, conf. II
106201.3225 0.0321 -3.6584 3 38.7766135 89503 30322 121 21 120 a-Alanine, conf. II
106201.3225 0.0321 -4.7876 3 38.7766135 89503 30322 121 21 220 a-Alanine, conf. II
106201.3225 0.0321 -4.7876 3 38.7766135 89503 30322 221 21 120 a-Alanine, conf. II
106201.3225 0.0321 -3.6584 3 38.7766135 89503 30322 221 21 220 a-Alanine, conf. II
106213.3298 20.1272 -5.4174 3 491.9425411 89503 303682544 682445 a-Alanine, conf. II
106216.4278 0.0427 -5.8122 3 10.3495 63 89503 30310 7 3 9 5 4 a-Alanine, conf. II
106264.4222 92.9061 -5.8830 3 786.0598513 89503 303853649 853550 a-Alanine, conf. II
106294.2311 8.7042 -4.8632 3 391.1485369 89503 303612041 612042 a-Alanine, conf. II
106302.2663 8.6911 -5.2924 3 391.1482369 89503 303612041 611942 a-Alanine, conf. II
106314.4331 0.7152 -5.8759 3 152.6971231 89503 303381425 371622 a-Alanine, conf. II
106339.2199 1.9843 -4.7156 3 287.7051321 89503 303531538 531539 a-Alanine, conf. II
106339.2771 1.9842 -5.2067 3 287.7051321 89503 303531538 531439 a-Alanine, conf. II
106339.9252 1.9838 -5.2067 3 287.7051321 89503 303531638 531539 a-Alanine, conf. II
106339.9825 1.9838 -4.7156 3 287.7051321 89503 303531638 531439 a-Alanine, conf. II
106356.2627 0.6749 -5.3629 3 115.1003195 89503 303321617 321418 a-Alanine, conf. II
106359.0555 19.6814 -5.0434 3 491.9376411 89503 303682544 682345 a-Alanine, conf. II
106362.5585 8.5908 -5.2919 3 391.1485369 89503 303612141 612042 a-Alanine, conf. II
106370.5937 8.5777 -4.8626 3 391.1482369 89503 303612141 611942 a-Alanine, conf. II
106463.7161 0.4855 -5.4668 3 89.5402171 89503 303281514 281315 a-Alanine, conf. II
106467.6887 5.5803 -5.3790 3 468.7839393 89503 303653036 652937 a-Alanine, conf. II
106486.1877 27.0258 -5.2808 3 603.3584453 89503 303752947 752748 a-Alanine, conf. II
106502.3181 1.9076 -5.1884 3 280.4487297 89503 303492722 492623 a-Alanine, conf. II
106502.4721 1.9075 -5.1884 3 280.4487297 89503 303492723 492624 a-Alanine, conf. II
106514.4312 0.0138 -4.9869 3 37.1304123 89503 30320 416 19 515 a-Alanine, conf. II
106520.9501 0.0138 -3.7284 3 37.1304123 89503 30320 516 19 515 a-Alanine, conf. II
106524.2273 0.4275 -5.4484 3 111.5470195 89503 303321418 321221 a-Alanine, conf. II
106531.9131 0.0137 -3.7283 3 37.1299123 89503 30320 416 19 415 a-Alanine, conf. II
106538.4320 0.0137 -4.9867 3 37.1299123 89503 30320 516 19 415 a-Alanine, conf. II
106540.4327 1.7837 -5.1988 3 199.5798243 89503 303402614 402515 a-Alanine, conf. II
106540.4327 1.7837 -5.1988 3 199.5798243 89503 303402615 402516 a-Alanine, conf. II
106577.6053 0.4282 -5.7753 3 58.2753135 89503 3032214 9 221210 a-Alanine, conf. II
106596.6455 0.4698 -5.4156 3 95.1226177 89503 303291514 291317 a-Alanine, conf. II
106618.2936 0.3043 -5.5560 3 89.5402177 89503 303291118 281315 a-Alanine, conf. II
106637.9103 0.4283 -5.7749 3 58.2733135 89503 3032214 8 221211 a-Alanine, conf. II
106656.8670 0.0295 -5.6025 3 11.5345 69 89503 30311 6 6 10 4 7 a-Alanine, conf. II
106690.2459 1.0454 -5.5385 3 117.5730225 89503 30337 334 37 235 a-Alanine, conf. II
106690.2459 1.0454 -4.9290 3 117.5730225 89503 30337 334 37 335 a-Alanine, conf. II
106690.2459 1.0454 -4.9290 3 117.5730225 89503 30337 434 37 235 a-Alanine, conf. II
106690.2459 1.0454 -5.5385 3 117.5730225 89503 30337 434 37 335 a-Alanine, conf. II
106751.3173 0.9832 -5.2768 3 165.1944255 89503 30342 735 42 636 a-Alanine, conf. II
106751.3173 0.9832 -4.7020 3 165.1944255 89503 30342 735 42 736 a-Alanine, conf. II
106751.3173 0.9832 -4.7020 3 165.1944255 89503 30342 835 42 636 a-Alanine, conf. II
106751.3173 0.9832 -5.2768 3 165.1944255 89503 30342 835 42 736 a-Alanine, conf. II
106805.7920 2.4399 -5.2331 3 344.5425333 89503 303552827 552728 a-Alanine, conf. II
106811.3734 2.4321 -5.2331 3 344.5423333 89503 303552828 552729 a-Alanine, conf. II
106861.6241 0.5790 -5.2104 3 206.8271279 89503 303461036 46 937 a-Alanine, conf. II
106861.6241 0.5790 -4.6645 3 206.8271279 89503 303461036 461037 a-Alanine, conf. II
106861.6250 0.5790 -4.6645 3 206.8271279 89503 303461136 46 937 a-Alanine, conf. II
106861.6250 0.5790 -5.2104 3 206.8271279 89503 303461136 461037 a-Alanine, conf. II
106872.3627 7.8643 -5.4547 3 524.9001417 89503 303693139 693040 a-Alanine, conf. II
106887.6237 0.0298 -5.3887 3 25.8653 99 89503 30316 710 15 6 9 a-Alanine, conf. II
106896.8143 24.3697 -5.4555 3 522.1854423 89503 303702645 702546 a-Alanine, conf. II
106900.7526 0.1310 -5.8217 3 72.2127159 89503 303261116 251213 a-Alanine, conf. II
106938.8043 1.8131 -5.2079 3 191.9730237 89503 303392613 392514 a-Alanine, conf. II
106938.8043 1.8131 -5.2079 3 191.9730237 89503 303392614 392515 a-Alanine, conf. II
107002.7676 9.3925 -5.3559 3 621.5631459 89503 303763047 762848 a-Alanine, conf. II
107027.9346 10.0603 -5.5415 3 584.2960441 89503 303733242 733143 a-Alanine, conf. II
107034.9663 46.2226 -5.7339 3 705.8185489 89503 303813250 813151 a-Alanine, conf. II
107039.1660 17.0921 -5.7971 3 745.2730501 89503 303833450 833351 a-Alanine, conf. II
107058.9755 3.6158 -5.2947 3 404.1115363 89503 303602931 602832 a-Alanine, conf. II
107103.6196 0.1381 -4.7168 3 55.4311117 89503 3031918 1 1818 0 a-Alanine, conf. II
107103.6196 0.1381 -4.7168 3 55.4311117 89503 3031918 2 1818 1 a-Alanine, conf. II
107112.4102 3.5013 -5.2942 3 404.1095363 89503 303602932 602833 a-Alanine, conf. II
107117.7115 5.7922 -5.7698 3 728.9832495 89503 303823449 823350 a-Alanine, conf. II
107133.3606 23.5257 -5.0939 3 522.1775423 89503 303702645 702446 a-Alanine, conf. II
107227.4649 10.2996 -5.6372 3 646.9629465 89503 303773345 773246 a-Alanine, conf. II
107228.4538 0.1192 -4.4215 3 52.9176117 89503 3031917 2 1817 1 a-Alanine, conf. II
107228.4538 0.1192 -4.4215 3 52.9176117 89503 3031917 3 1817 2 a-Alanine, conf. II
107231.0785 1.8978 -5.1820 3 271.0507291 89503 303482721 482622 a-Alanine, conf. II
107231.1307 1.8977 -5.1820 3 271.0507291 89503 303482722 482623 a-Alanine, conf. II
107238.9401 0.0442 -5.8105 3 10.3148 63 89503 30310 7 4 9 5 5 a-Alanine, conf. II
107240.9979 0.1367 -5.0074 3 17.5281 69 89503 3031111 0 1010 1 a-Alanine, conf. II
107240.9979 0.1367 -5.0074 3 17.5281 69 89503 3031111 1 1010 0 a-Alanine, conf. II
107251.2204 0.0380 -3.7971 3 33.8209111 89503 30318 810 17 8 9 a-Alanine, conf. II
107302.0210111.8149 -5.7967 3 737.8048501 89503 303833152 833053 a-Alanine, conf. II
107304.3597 1.8439 -5.2196 3 184.5643231 89503 303382612 382513 a-Alanine, conf. II
107304.3597 1.8439 -5.2196 3 184.5643231 89503 303382613 382514 a-Alanine, conf. II
107313.4329 0.2042 -5.4348 3 82.6415171 89503 303281018 271215 a-Alanine, conf. II
107317.0372 1.0420 -5.6870 3 108.0425219 89503 30336 234 36 135 a-Alanine, conf. II
107317.0372 1.0420 -5.0692 3 108.0425219 89503 30336 234 36 235 a-Alanine, conf. II
107317.0372 1.0420 -5.0692 3 108.0425219 89503 30336 334 36 135 a-Alanine, conf. II
107317.0372 1.0420 -5.6870 3 108.0425219 89503 30336 334 36 235 a-Alanine, conf. II
107359.2087 11.1743 -4.8993 3 418.3216381 89503 303632142 632143 a-Alanine, conf. II
107361.2006 17.6094 -5.5214 3 570.0726435 89503 303723240 723141 a-Alanine, conf. II
107373.2909 11.1463 -5.3179 3 418.3211381 89503 303632142 632043 a-Alanine, conf. II
107378.3819 0.1014 -4.2515 3 50.5521117 89503 3031916 3 1816 2 a-Alanine, conf. II
107378.3819 0.1014 -4.2515 3 50.5521117 89503 3031916 4 1816 3 a-Alanine, conf. II
107447.1782 5.2361 -4.7892 3 350.2190351 89503 303581840 581841 a-Alanine, conf. II
107448.2237 5.2349 -5.2463 3 350.2190351 89503 303581840 581741 a-Alanine, conf. II
107457.5365 5.2237 -5.2462 3 350.2190351 89503 303581940 581841 a-Alanine, conf. II
107458.5819 5.2225 -4.7891 3 350.2190351 89503 303581940 581741 a-Alanine, conf. II
107473.0200 10.9470 -5.3172 3 418.3216381 89503 303632242 632143 a-Alanine, conf. II
107487.1022 10.9191 -4.8983 3 418.3211381 89503 303632242 632043 a-Alanine, conf. II
107508.7212 29.1319 -5.4966 3 553.2950435 89503 303722746 722647 a-Alanine, conf. II
107560.8686 0.0847 -4.1330 3 48.3357117 89503 3031915 4 1815 3 a-Alanine, conf. II
107560.8686 0.0847 -4.1330 3 48.3357117 89503 3031915 5 1815 4 a-Alanine, conf. II
107607.7168 0.4277 -4.6679 3 239.5871297 89503 303491237 491238 a-Alanine, conf. II
107607.7175 0.4277 -5.1939 3 239.5871297 89503 303491237 491138 a-Alanine, conf. II
107607.7297 0.4277 -5.1939 3 239.5871297 89503 303491337 491238 a-Alanine, conf. II
107607.7305 0.4277 -4.6679 3 239.5871297 89503 303491337 491138 a-Alanine, conf. II
107626.3984 1.0913 -5.3128 3 154.4647249 89503 30341 635 41 536 a-Alanine, conf. II
107626.3984 1.0913 -4.7285 3 154.4647249 89503 30341 635 41 636 a-Alanine, conf. II
107626.3984 1.0913 -4.7285 3 154.4647249 89503 30341 735 41 536 a-Alanine, conf. II
107626.3984 1.0913 -5.3128 3 154.4647249 89503 30341 735 41 636 a-Alanine, conf. II
107639.4856 1.8757 -5.2344 3 177.3528225 89503 303372611 372512 a-Alanine, conf. II
107639.4856 1.8757 -5.2344 3 177.3528225 89503 303372612 372513 a-Alanine, conf. II
107663.9459 0.0594 -3.6184 3 40.0870141 89503 30323 023 22 022 a-Alanine, conf. II
107663.9459 0.0594 -4.7219 3 40.0870141 89503 30323 023 22 122 a-Alanine, conf. II
107663.9459 0.0594 -4.7219 3 40.0870141 89503 30323 123 22 022 a-Alanine, conf. II
107663.9459 0.0594 -3.6184 3 40.0870141 89503 30323 123 22 122 a-Alanine, conf. II
107672.9580 97.0308 -5.4314 3 702.0306489 89503 303813051 813052 a-Alanine, conf. II
107698.5611 0.4465 -5.8624 3 54.0518129 89503 3032114 8 2112 9 a-Alanine, conf. II
107718.0126 0.4465 -5.8623 3 54.0512129 89503 3032114 7 211210 a-Alanine, conf. II
107786.6246 0.0691 -4.0430 3 46.2697117 89503 3031914 6 1814 5 a-Alanine, conf. II
107786.6264 0.0691 -4.0430 3 46.2697117 89503 3031914 5 1814 4 a-Alanine, conf. II
107804.9924 31.3549 -5.8200 3 761.7389507 89503 303843451 843352 a-Alanine, conf. II
107831.8689 2.3260 -5.2191 3 333.9346327 89503 303542826 542727 a-Alanine, conf. II
107834.0442 2.3232 -5.2191 3 333.9345327 89503 303542827 542728 a-Alanine, conf. II
107887.5749 27.5686 -5.1477 3 553.2823435 89503 303722746 722547 a-Alanine, conf. II
107891.9299 1.0222 -5.3355 3 98.7516213 89503 30335 134 35 135 a-Alanine, conf. II
107891.9299 1.0222 -5.3355 3 98.7516213 89503 30335 234 35 035 a-Alanine, conf. II
107902.1320 1.8983 -5.1772 3 261.8568285 89503 303472720 472621 a-Alanine, conf. II
107902.1491 1.8983 -5.1772 3 261.8568285 89503 303472721 472622 a-Alanine, conf. II
107910.6349 0.0155 -4.8881 3 39.0524129 89503 30321 318 20 417 a-Alanine, conf. II
107910.7333 0.0155 -3.6881 3 39.0524129 89503 30321 418 20 417 a-Alanine, conf. II
107910.9272 0.0155 -3.6881 3 39.0524129 89503 30321 318 20 317 a-Alanine, conf. II
107911.0256 0.0155 -4.8881 3 39.0524129 89503 30321 418 20 317 a-Alanine, conf. II
107921.0875 0.1364 -5.7852 3 67.3348153 89503 303251114 241213 a-Alanine, conf. II
107931.4822 5.6520 -5.7386 3 712.8812489 89503 303813448 813349 a-Alanine, conf. II
107941.8117 5.5363 -5.3546 3 456.1381387 89503 303643034 642935 a-Alanine, conf. II
107946.3634 1.9082 -5.2526 3 170.3380219 89503 303362610 362511 a-Alanine, conf. II
107946.3634 1.9082 -5.2526 3 170.3380219 89503 303362611 362512 a-Alanine, conf. II
107968.6205 2.8731 -4.7320 3 311.3017333 89503 303551639 551640 a-Alanine, conf. II
107968.7359 2.8730 -5.2141 3 311.3016333 89503 303551639 551540 a-Alanine, conf. II
107969.9579 2.8720 -5.2141 3 311.3017333 89503 303551739 551640 a-Alanine, conf. II
107970.0733 2.8719 -4.7320 3 311.3016333 89503 303551739 551540 a-Alanine, conf. II
107974.1141 0.8033 -5.2221 3 195.1537273 89503 30345 936 45 837 a-Alanine, conf. II
107974.1141 0.8033 -4.6654 3 195.1537273 89503 30345 936 45 937 a-Alanine, conf. II
107974.1142 0.8033 -4.6654 3 195.1537273 89503 303451036 45 837 a-Alanine, conf. II
107974.1142 0.8033 -5.2221 3 195.1537273 89503 303451036 45 937 a-Alanine, conf. II
107995.2747 1.2953 -4.6913 3 274.4179315 89503 303521438 521439 a-Alanine, conf. II
107995.2853 1.2953 -5.1961 3 274.4179315 89503 303521438 521339 a-Alanine, conf. II
107995.4197 1.2953 -5.1961 3 274.4179315 89503 303521538 521439 a-Alanine, conf. II
107995.4303 1.2953 -4.6913 3 274.4179315 89503 303521538 521339 a-Alanine, conf. II
108033.9569 11.7261 -5.3683 3 606.6218453 89503 303753046 752847 a-Alanine, conf. II
108065.1968 34.3512 -5.5407 3 585.2691447 89503 303742847 742748 a-Alanine, conf. II
108071.0948 25.1004 -5.3420 3 636.6029465 89503 303773048 772849 a-Alanine, conf. II
108071.6743 0.0549 -3.9709 3 44.3562117 89503 3031913 7 1813 6 a-Alanine, conf. II
108071.7281 0.0549 -3.9709 3 44.3562117 89503 3031913 6 1813 5 a-Alanine, conf. II
108074.0494 0.0352 -5.1378 3 16.4354 81 89503 30313 6 7 12 4 8 a-Alanine, conf. II
108076.1131 0.0150 -3.7560 3 36.1300117 89503 30319 713 18 712 a-Alanine, conf. II
108125.6545 47.4695 -5.7857 3 741.6663501 89503 303833351 833252 a-Alanine, conf. II
108126.5073 4.9957 -5.3531 3 456.1310387 89503 303643035 642936 a-Alanine, conf. II
108155.7839 9.4032 -5.4294 3 511.4523411 89503 303683137 683038 a-Alanine, conf. II
108226.9961 1.9411 -5.2747 3 163.5193213 89503 3033526 9 352510 a-Alanine, conf. II
108226.9961 1.9411 -5.2747 3 163.5193213 89503 303352610 352511 a-Alanine, conf. II
108283.8657 0.0337 -5.3445 3 29.0807105 89503 30317 711 16 610 a-Alanine, conf. II
108302.7538 14.2105 -4.9395 3 446.3703393 89503 303652243 652244 a-Alanine, conf. II
108327.0370 14.1526 -5.3472 3 446.3695393 89503 303652243 652144 a-Alanine, conf. II
108330.9100 0.4752 -5.4547 3 89.4787171 89503 303281513 281316 a-Alanine, conf. II
108404.5519 3.2447 -5.2745 3 392.4863357 89503 303592930 592831 a-Alanine, conf. II
108427.4019 3.1990 -5.2743 3 392.4855357 89503 303592931 592832 a-Alanine, conf. II
108430.7835 1.1679 -5.3619 3 143.9673243 89503 30340 535 40 436 a-Alanine, conf. II
108430.7835 1.1679 -4.7685 3 143.9673243 89503 30340 535 40 536 a-Alanine, conf. II
108430.7835 1.1679 -4.7685 3 143.9673243 89503 30340 635 40 436 a-Alanine, conf. II
108430.7835 1.1679 -5.3619 3 143.9673243 89503 30340 635 40 536 a-Alanine, conf. II
108441.0611 0.0423 -3.9111 3 42.5982117 89503 3031912 8 1812 7 a-Alanine, conf. II
108442.2257 0.0423 -3.9111 3 42.5982117 89503 3031912 7 1812 6 a-Alanine, conf. II
108483.2313 1.9741 -5.3015 3 156.8961207 89503 3033426 8 3425 9 a-Alanine, conf. II
108483.2313 1.9741 -5.3015 3 156.8961207 89503 3033426 9 342510 a-Alanine, conf. II
108489.4661 13.7671 -5.3459 3 446.3703393 89503 303652343 652244 a-Alanine, conf. II
108513.7493 13.7092 -4.9378 3 446.3695393 89503 303652343 652144 a-Alanine, conf. II
108520.5244 1.9071 -5.1741 3 252.8658279 89503 303462719 462620 a-Alanine, conf. II
108520.5297 1.9070 -5.1741 3 252.8658279 89503 303462720 462621 a-Alanine, conf. II
108547.5981 0.0942 -5.0615 3 18.2414 75 89503 3031210 3 11 9 2 a-Alanine, conf. II
108547.6843 0.0942 -5.0615 3 18.2414 75 89503 3031210 2 11 9 3 a-Alanine, conf. II
108588.2720 39.9013 -5.5875 3 618.1057459 89503 303762948 762849 a-Alanine, conf. II
108664.0582 31.5158 -5.2047 3 585.2491447 89503 303742847 742648 a-Alanine, conf. II
108705.3173 0.0977 -5.5579 3 45.8533129 89503 30321 813 20 912 a-Alanine, conf. II
108706.6539186.8111 -5.6706 3 829.1682531 89503 303883355 883356 a-Alanine, conf. II
108716.7798 2.0071 -5.3340 3 150.4678201 89503 3033326 7 3325 8 a-Alanine, conf. II
108716.7798 2.0071 -5.3340 3 150.4678201 89503 3033326 8 3325 9 a-Alanine, conf. II
108731.9201 7.2090 -5.4249 3 511.4297411 89503 303683138 683039 a-Alanine, conf. II
108772.7846 2.2468 -5.2066 3 323.5355321 89503 303532825 532726 a-Alanine, conf. II
108773.6049 2.2458 -5.2066 3 323.5355321 89503 303532826 532727 a-Alanine, conf. II
108787.8785 0.0282 -3.7557 3 33.0946111 89503 30318 711 17 710 a-Alanine, conf. II
108788.0096 6.9089 -4.8175 3 376.0516363 89503 303601941 601942 a-Alanine, conf. II
108789.9419 6.9061 -5.2650 3 376.0515363 89503 303601941 601842 a-Alanine, conf. II
108806.1641 6.8818 -5.2648 3 376.0516363 89503 303602041 601942 a-Alanine, conf. II
108808.0965 6.8791 -4.8174 3 376.0515363 89503 303602041 601842 a-Alanine, conf. II
108816.6935 24.9721 -5.5854 3 617.0659453 89503 303753342 753243 a-Alanine, conf. II
108827.5920 88.3442 -5.7268 3 701.9920489 89503 303813051 812952 a-Alanine, conf. II
108903.1627 0.4563 -4.6576 3 227.2087291 89503 303481137 481138 a-Alanine, conf. II
108903.1628 0.4563 -5.1953 3 227.2087291 89503 303481137 481038 a-Alanine, conf. II
108903.1648 0.4563 -5.1953 3 227.2087291 89503 303481237 481138 a-Alanine, conf. II
108903.1650 0.4563 -4.6576 3 227.2087291 89503 303481237 481038 a-Alanine, conf. II
108929.2315 2.0400 -5.3736 3 144.2339195 89503 3033226 6 3225 7 a-Alanine, conf. II
108929.2315 2.0400 -5.3736 3 144.2339195 89503 3033226 7 3225 8 a-Alanine, conf. II
108931.9461 0.0320 -3.8602 3 41.0003117 89503 3031911 9 1811 8 a-Alanine, conf. II
108950.2650 0.0322 -3.8600 3 41.0005117 89503 3031911 8 1811 7 a-Alanine, conf. II
108968.6988 0.1910 -5.5473 3 94.0661183 89503 303301020 291217 a-Alanine, conf. II
108980.9216 0.0420 -5.4032 3 19.8871 87 89503 30314 7 7 13 6 8 a-Alanine, conf. II
108985.5144 9.9302 -5.5086 3 570.0075435 89503 303723241 723142 a-Alanine, conf. II
108995.8875 1.0001 -5.2403 3 183.7063267 89503 30344 836 44 737 a-Alanine, conf. II
108995.8875 1.0001 -4.6734 3 183.7063267 89503 30344 836 44 837 a-Alanine, conf. II
108995.8875 1.0001 -4.6734 3 183.7063267 89503 30344 936 44 737 a-Alanine, conf. II
108995.8875 1.0001 -5.2403 3 183.7063267 89503 30344 936 44 837 a-Alanine, conf. II
109065.1580 12.0440 -5.6027 3 631.8609459 89503 303763344 763245 a-Alanine, conf. II
109090.6584 1.9222 -5.1727 3 244.0768273 89503 303452718 452619 a-Alanine, conf. II
109090.6601 1.9222 -5.1727 3 244.0768273 89503 303452719 452620 a-Alanine, conf. II
109106.2741 74.7216 -5.3487 3 667.0535477 89503 303792950 792951 a-Alanine, conf. II
109106.3748 45.5771 -5.6367 3 651.8026471 89503 303783049 782950 a-Alanine, conf. II
109108.8380 17.9541 -4.9837 3 475.2927405 89503 303672344 672345 a-Alanine, conf. II
109122.0693 2.0724 -5.4224 3 138.1940189 89503 3033126 5 3125 6 a-Alanine, conf. II
109122.0693 2.0724 -5.4224 3 138.1940189 89503 3033126 6 3125 7 a-Alanine, conf. II
109150.0792 17.8373 -5.3802 3 475.2914405 89503 303672344 672245 a-Alanine, conf. II
109170.5868 1.2159 -5.4295 3 133.7041237 89503 30339 435 39 336 a-Alanine, conf. II
109170.5868 1.2159 -4.8274 3 133.7041237 89503 30339 435 39 436 a-Alanine, conf. II
109170.5868 1.2159 -4.8274 3 133.7041237 89503 30339 535 39 336 a-Alanine, conf. II
109170.5868 1.2159 -5.4295 3 133.7041237 89503 30339 535 39 436 a-Alanine, conf. II
109258.4111 0.0653 -5.3788 3 40.8569123 89503 30320 713 19 812 a-Alanine, conf. II
109270.3747 0.4878 -5.5054 3 84.0683165 89503 303271513 271314 a-Alanine, conf. II
109296.6799 2.1044 -5.4836 3 132.3475183 89503 3033026 4 3025 5 a-Alanine, conf. II
109296.6799 2.1044 -5.4836 3 132.3475183 89503 3033026 5 3025 6 a-Alanine, conf. II
109303.6748 0.9804 -5.3055 3 136.8546213 89503 303351719 351520 a-Alanine, conf. II
109316.1888 10.9732 -5.7047 3 696.9778483 89503 303803447 803348 a-Alanine, conf. II
109351.2937 0.0230 -4.8067 3 40.7788135 89503 30322 220 21 319 a-Alanine, conf. II
109351.2946 0.0230 -3.6481 3 40.7788135 89503 30322 320 21 319 a-Alanine, conf. II
109351.2964 0.0230 -3.6481 3 40.7788135 89503 30322 220 21 219 a-Alanine, conf. II
109351.2973 0.0230 -4.8067 3 40.7788135 89503 30322 320 21 219 a-Alanine, conf. II
109410.7200 17.1102 -5.3782 3 475.2927405 89503 303672444 672345 a-Alanine, conf. II
109445.2230 46.8973 -5.8384 3 778.3699513 89503 303853452 853353 a-Alanine, conf. II
109451.9613 16.9935 -4.9810 3 475.2914405 89503 303672444 672245 a-Alanine, conf. II
109454.3641 2.1359 -5.5627 3 126.6939177 89503 3032926 3 2925 4 a-Alanine, conf. II
109454.3641 2.1359 -5.5627 3 126.6939177 89503 3032926 4 2925 5 a-Alanine, conf. II
109503.7730 0.7400 -4.6717 3 261.3435309 89503 303511338 511339 a-Alanine, conf. II
109503.7748 0.7400 -5.1893 3 261.3435309 89503 303511338 511239 a-Alanine, conf. II
109503.8006 0.7400 -5.1893 3 261.3435309 89503 303511438 511339 a-Alanine, conf. II
109503.8025 0.7400 -4.6717 3 261.3435309 89503 303511438 511239 a-Alanine, conf. II
109514.1836 0.1653 -5.7876 3 78.8231165 89503 303271216 261313 a-Alanine, conf. II
109522.6715 34.8641 -5.2648 3 618.0745459 89503 303762948 762749 a-Alanine, conf. II
109522.9613 3.9985 -4.7527 3 335.7840345 89503 303571740 571741 a-Alanine, conf. II
109523.1879 3.9983 -5.2257 3 335.7840345 89503 303571740 571641 a-Alanine, conf. II
109525.4411 3.9959 -5.2257 3 335.7840345 89503 303571840 571741 a-Alanine, conf. II
109525.6678 3.9957 -4.7527 3 335.7840345 89503 303571840 571641 a-Alanine, conf. II
109560.9117 0.0255 -3.8159 3 39.5692117 89503 303191010 1810 9 a-Alanine, conf. II
109579.1542 4.7008 -5.3297 3 443.6994381 89503 303633033 632934 a-Alanine, conf. II
109596.3447 2.1667 -5.6699 3 121.2329171 89503 3032826 2 2825 3 a-Alanine, conf. II
109596.3447 2.1667 -5.6699 3 121.2329171 89503 3032826 3 2825 4 a-Alanine, conf. II
109616.4140 1.9425 -5.1731 3 235.4890267 89503 303442717 442618 a-Alanine, conf. II
109616.4145 1.9425 -5.1731 3 235.4890267 89503 303442718 442619 a-Alanine, conf. II
109624.4601 2.9805 -5.2562 3 381.0750351 89503 303582929 582830 a-Alanine, conf. II
109633.9274 2.9629 -5.2561 3 381.0746351 89503 303582930 582831 a-Alanine, conf. II
109637.9589 2.1937 -5.1957 3 313.3438315 89503 303522824 522725 a-Alanine, conf. II
109638.2580 2.1934 -5.1957 3 313.3438315 89503 303522825 522726 a-Alanine, conf. II
109654.3722 51.0831 -5.6881 3 686.3578483 89503 303803150 803051 a-Alanine, conf. II
109662.7618 4.4683 -5.3291 3 443.6962381 89503 303633034 632935 a-Alanine, conf. II
109679.3883 11.2950 -5.8424 3 782.0206513 89503 303853551 853452 a-Alanine, conf. II
109687.7337 0.0146 -5.0416 3 38.5071123 89503 30320 515 19 614 a-Alanine, conf. II
109723.7739 2.1968 -5.8283 3 115.9640165 89503 3032726 1 2725 2 a-Alanine, conf. II
109723.7739 2.1968 -5.8283 3 115.9640165 89503 3032726 2 2725 3 a-Alanine, conf. II
109730.8730 2.0084 -4.7040 3 297.5413327 89503 303541539 541540 a-Alanine, conf. II
109730.8953 2.0084 -5.2001 3 297.5413327 89503 303541539 541440 a-Alanine, conf. II
109731.1600 2.0082 -5.2001 3 297.5413327 89503 303541639 541540 a-Alanine, conf. II
109731.1824 2.0082 -4.7039 3 297.5413327 89503 303541639 541440 a-Alanine, conf. II
109755.6438 22.6014 -5.0321 3 505.0867417 89503 303692445 692446 a-Alanine, conf. II
109763.0931 0.0276 -3.8142 3 39.5728117 89503 3031910 9 1810 8 a-Alanine, conf. II
109773.1741 0.0629 -5.1277 3 19.3163 81 89503 30313 9 5 12 8 4 a-Alanine, conf. II
109786.4047 0.0141 -3.7141 3 38.5071123 89503 30320 615 19 614 a-Alanine, conf. II
109789.6689 0.0630 -5.1276 3 19.3158 81 89503 30313 9 4 12 8 5 a-Alanine, conf. II
109824.6832 22.3713 -5.4170 3 505.0844417 89503 303692445 692346 a-Alanine, conf. II
109843.0877 0.0193 -3.7570 3 37.1929117 89503 30319 812 18 811 a-Alanine, conf. II
109845.8698 0.0334 -5.2757 3 32.4659111 89503 30318 712 17 611 a-Alanine, conf. II
109851.1592 1.2382 -5.5258 3 123.6771231 89503 30338 335 38 236 a-Alanine, conf. II
109851.1592 1.2382 -4.9155 3 123.6771231 89503 30338 335 38 336 a-Alanine, conf. II
109851.1592 1.2382 -4.9155 3 123.6771231 89503 30338 435 38 236 a-Alanine, conf. II
109851.1592 1.2382 -5.5258 3 123.6771231 89503 30338 435 38 336 a-Alanine, conf. II
109851.3148 69.7401 -5.6630 3 667.0286477 89503 303792950 792851 a-Alanine, conf. II
109925.6362 0.0139 -3.7128 3 38.4992123 89503 30320 515 19 514 a-Alanine, conf. II
109935.7877 1.1603 -5.2663 3 172.4872261 89503 30343 736 43 637 a-Alanine, conf. II
109935.7877 1.1603 -4.6897 3 172.4872261 89503 30343 736 43 737 a-Alanine, conf. II
109935.7877 1.1603 -4.6897 3 172.4872261 89503 30343 836 43 637 a-Alanine, conf. II
109935.7877 1.1603 -5.2663 3 172.4872261 89503 30343 836 43 737 a-Alanine, conf. II
109953.2121 0.0140 -3.7356 3 35.9985117 89503 30319 613 18 612 a-Alanine, conf. II
109971.3692 58.0126 -5.2736 3 632.9347465 89503 303772849 772850 a-Alanine, conf. II
110011.7351 0.5708 -5.3688 3 126.2202207 89503 303341519 341322 a-Alanine, conf. II
110014.2415 0.1895 -5.4381 3 88.2294177 89503 303291019 281216 a-Alanine, conf. II
110024.3073 0.0139 -5.0385 3 38.4992123 89503 30320 615 19 514 a-Alanine, conf. II
110037.9149 8.9588 -4.8498 3 402.7641375 89503 303622042 622043 a-Alanine, conf. II
110041.4194 8.9526 -5.2874 3 402.7640375 89503 303622042 621943 a-Alanine, conf. II
110057.9964 35.2187 -5.6560 3 665.9244471 89503 303783444 783345 a-Alanine, conf. II
110069.1919 8.9020 -5.2872 3 402.7641375 89503 303622142 622043 a-Alanine, conf. II
110072.6963 8.8958 -4.8495 3 402.7640375 89503 303622142 621943 a-Alanine, conf. II
110089.1785 0.4841 -5.4999 3 84.0412165 89503 303271512 271315 a-Alanine, conf. II
110091.4905 0.7057 -5.2015 3 215.0516285 89503 303471037 47 938 a-Alanine, conf. II
110091.4905 0.7057 -4.6528 3 215.0516285 89503 303471037 471038 a-Alanine, conf. II
110091.4908 0.7057 -4.6528 3 215.0516285 89503 303471137 47 938 a-Alanine, conf. II
110091.4908 0.7057 -5.2015 3 215.0516285 89503 303471137 471038 a-Alanine, conf. II
110099.7036 13.1001 -5.4832 3 555.9719429 89503 303713239 713140 a-Alanine, conf. II
110101.2384 1.9669 -5.1754 3 227.1015261 89503 303432716 432617 a-Alanine, conf. II
110101.2385 1.9669 -5.1754 3 227.1015261 89503 303432717 432618 a-Alanine, conf. II
110112.8348 0.0226 -3.7791 3 38.3089117 89503 30319 911 18 910 a-Alanine, conf. II
110153.6768 19.0086 -5.4052 3 670.6929477 89503 303793149 792950 a-Alanine, conf. II
110213.3784 28.4320 -5.0849 3 535.7501429 89503 303712546 712547 a-Alanine, conf. II
110216.3146 7.4783 -5.3989 3 498.1903405 89503 303673136 673037 a-Alanine, conf. II
110233.6683 4.1539 -5.8113 3 765.3349507 89503 303843550 843451 a-Alanine, conf. II
110236.9080 21.0330 -5.4138 3 505.0867417 89503 303692545 692446 a-Alanine, conf. II
110242.7298 0.0394 -5.6375 3 12.3108 69 89503 30311 7 4 10 5 5 a-Alanine, conf. II
110272.9747 56.0313 -5.7414 3 721.7695495 89503 303823251 823152 a-Alanine, conf. II
110282.1488 0.0402 -5.2279 3 20.7948 87 89503 30314 8 7 13 7 6 a-Alanine, conf. II
110302.7746 5.1866 -5.4163 3 655.2036471 89503 303783148 782949 a-Alanine, conf. II
110305.9474 20.8031 -5.0279 3 505.0844417 89503 303692545 692346 a-Alanine, conf. II
110327.3755 27.9886 -5.4576 3 535.7463429 89503 303712546 712447 a-Alanine, conf. II
110355.2563 0.0346 -5.6284 3 12.7544 75 89503 30312 4 8 11 2 9 a-Alanine, conf. II
110385.0515 45.4335 -5.2051 3 599.6763453 89503 303752748 752749 a-Alanine, conf. II
110415.2978 0.5632 -5.2917 3 127.9775207 89503 303341618 341421 a-Alanine, conf. II
110435.0570 2.1606 -5.1864 3 303.3583309 89503 303512823 512724 a-Alanine, conf. II
110435.1625 2.1605 -5.1864 3 303.3583309 89503 303512824 512725 a-Alanine, conf. II
110441.4527 35.8488 -5.1424 3 567.2807441 89503 303732647 732648 a-Alanine, conf. II
110446.1713 55.2105 -5.6045 3 632.9188465 89503 303772849 772750 a-Alanine, conf. II
110477.2261 1.2379 -5.6740 3 113.8879225 89503 30337 235 37 136 a-Alanine, conf. II
110477.2261 1.2379 -5.0557 3 113.8879225 89503 30337 235 37 236 a-Alanine, conf. II
110477.2261 1.2379 -5.0557 3 113.8879225 89503 30337 335 37 136 a-Alanine, conf. II
110477.2261 1.2379 -5.6740 3 113.8879225 89503 30337 335 37 236 a-Alanine, conf. II
110492.1727 6.4615 -5.3967 3 498.1796405 89503 303673137 673038 a-Alanine, conf. II
110545.3816 36.8129 -5.3276 3 651.7546471 89503 303783049 782850 a-Alanine, conf. II
110548.2169 1.9944 -5.1798 3 218.9136255 89503 303422715 422616 a-Alanine, conf. II
110548.2170 1.9944 -5.1798 3 218.9136255 89503 303422716 422617 a-Alanine, conf. II
110627.2141 35.0125 -5.5022 3 567.2745441 89503 303732647 732548 a-Alanine, conf. II
110683.9035 43.8876 -5.5511 3 599.6664453 89503 303752748 752649 a-Alanine, conf. II
110696.5883 0.2201 -5.7914 3 85.7863171 89503 303281316 271413 a-Alanine, conf. II
110738.1624 2.7899 -5.2395 3 369.8755345 89503 303572928 572829 a-Alanine, conf. II
110741.9637 2.7833 -5.2395 3 369.8753345 89503 303572929 572830 a-Alanine, conf. II
110801.3553 1.2837 -5.3021 3 161.4984255 89503 30342 636 42 537 a-Alanine, conf. II
110801.3553 1.2837 -4.7162 3 161.4984255 89503 30342 636 42 637 a-Alanine, conf. II
110801.3553 1.2837 -4.7162 3 161.4984255 89503 30342 736 42 537 a-Alanine, conf. II
110801.3553 1.2837 -5.3021 3 161.4984255 89503 30342 736 42 637 a-Alanine, conf. II
110809.6626 0.0421 -3.6090 3 42.3191141 89503 30323 122 22 121 a-Alanine, conf. II
110809.6626 0.0421 -4.7364 3 42.3191141 89503 30323 122 22 221 a-Alanine, conf. II
110809.6626 0.0421 -4.7364 3 42.3191141 89503 30323 222 22 121 a-Alanine, conf. II
110809.6626 0.0421 -3.6090 3 42.3191141 89503 30323 222 22 221 a-Alanine, conf. II
110854.5786 32.8013 -5.3014 3 501.2203411 89503 303682841 682642 a-Alanine, conf. II
110871.3775 0.7400 -5.8353 3 162.0939237 89503 303391525 381722 a-Alanine, conf. II
110883.7009 0.4254 -4.6568 3 248.4853303 89503 303501238 501239 a-Alanine, conf. II
110883.7012 0.4254 -5.1864 3 248.4853303 89503 303501238 501139 a-Alanine, conf. II
110883.7058 0.4254 -5.1864 3 248.4853303 89503 303501338 501239 a-Alanine, conf. II
110883.7061 0.4254 -4.6568 3 248.4853303 89503 303501338 501139 a-Alanine, conf. II
110924.2094 9.2496 -5.4768 3 555.9393429 89503 303713240 713141 a-Alanine, conf. II
110941.0640 29.5905 -5.2714 3 458.7199393 89503 303652739 652540 a-Alanine, conf. II
110946.3929 0.5716 -5.3069 3 121.3459201 89503 303331617 331420 a-Alanine, conf. II
110960.1285 2.0244 -5.1863 3 210.9245249 89503 303412714 412615 a-Alanine, conf. II
110960.1285 2.0244 -5.1863 3 210.9245249 89503 303412715 412616 a-Alanine, conf. II
110970.1077 25.5824 -5.4527 3 535.7501429 89503 303712646 712547 a-Alanine, conf. II
110999.7894 5.4005 -4.7775 3 361.1504357 89503 303591841 591842 a-Alanine, conf. II
111000.2245 5.4000 -5.2414 3 361.1504357 89503 303591841 591742 a-Alanine, conf. II
111004.2952 5.3946 -5.2413 3 361.1504357 89503 303591941 591842 a-Alanine, conf. II
111004.7303 5.3941 -4.7775 3 361.1504357 89503 303591941 591742 a-Alanine, conf. II
111007.4018 59.9509 -5.7964 3 758.0361507 89503 303843352 843253 a-Alanine, conf. II
111040.7598 4.1213 -5.3070 3 431.4790375 89503 303623032 622933 a-Alanine, conf. II
111047.1643 12.3405 -5.5682 3 616.9756453 89503 303753343 753244 a-Alanine, conf. II
111052.9948 1.2186 -5.3218 3 104.3382219 89503 30336 135 36 136 a-Alanine, conf. II
111052.9948 1.2186 -5.3218 3 104.3382219 89503 30336 235 36 036 a-Alanine, conf. II
111065.8271 49.2626 -5.7333 3 716.6464489 89503 303813546 813447 a-Alanine, conf. II
111067.5186 0.6299 -5.3777 3 108.7649189 89503 303311616 311417 a-Alanine, conf. II
111077.4350 4.0251 -5.3067 3 431.4777375 89503 303623033 622934 a-Alanine, conf. II
111084.1049 25.1395 -5.0784 3 535.7463429 89503 303712646 712447 a-Alanine, conf. II
111086.3926 14.0231 -5.6692 3 681.2822477 89503 303793446 793347 a-Alanine, conf. II
111113.4330 0.0149 -4.9223 3 40.6836129 89503 30321 417 20 516 a-Alanine, conf. II
111115.8081 0.0149 -3.6760 3 40.6836129 89503 30321 517 20 516 a-Alanine, conf. II
111119.9518 0.0149 -3.6760 3 40.6834129 89503 30321 417 20 416 a-Alanine, conf. II
111122.3270 0.0149 -4.9223 3 40.6834129 89503 30321 517 20 416 a-Alanine, conf. II
111148.5765 0.0440 -5.2239 3 20.7720 87 89503 30314 8 6 13 7 7 a-Alanine, conf. II
111150.4014 34.4558 -5.3370 3 545.5708429 89503 303712943 712744 a-Alanine, conf. II
111170.4975 2.1430 -5.1785 3 293.5778303 89503 303502822 502723 a-Alanine, conf. II
111170.5334 2.1430 -5.1785 3 293.5778303 89503 303502823 502724 a-Alanine, conf. II
111184.0792 0.9623 -5.2131 3 203.1184279 89503 30346 937 46 838 a-Alanine, conf. II
111184.0792 0.9623 -4.6540 3 203.1184279 89503 30346 937 46 938 a-Alanine, conf. II
111184.0792 0.9623 -4.6540 3 203.1184279 89503 303461037 46 838 a-Alanine, conf. II
111184.0792 0.9623 -5.2131 3 203.1184279 89503 303461037 46 938 a-Alanine, conf. II
111190.8422 11.4566 -4.8859 3 430.3548387 89503 303642143 642144 a-Alanine, conf. II
111197.0870 11.4431 -5.3135 3 430.3546387 89503 303642143 642044 a-Alanine, conf. II
111229.3718 0.5844 -5.2886 3 134.7918213 89503 303351619 351422 a-Alanine, conf. II
111243.8670 11.3408 -5.3132 3 430.3548387 89503 303642243 642144 a-Alanine, conf. II
111247.1667 0.1384 -5.8175 3 77.3057165 89503 303271117 261214 a-Alanine, conf. II
111250.1118 11.3274 -4.8854 3 430.3546387 89503 303642243 642044 a-Alanine, conf. II
111335.1365 1.2760 -4.6805 3 283.9914321 89503 303531439 531440 a-Alanine, conf. II
111335.1405 1.2760 -5.1897 3 283.9914321 89503 303531439 531340 a-Alanine, conf. II
111335.1938 1.2760 -5.1897 3 283.9914321 89503 303531539 531440 a-Alanine, conf. II
111335.1978 1.2760 -4.6805 3 283.9914321 89503 303531539 531340 a-Alanine, conf. II
111339.4906 2.0563 -5.1952 3 203.1336243 89503 303402713 402614 a-Alanine, conf. II
111339.4906 2.0563 -5.1952 3 203.1336243 89503 303402714 402615 a-Alanine, conf. II
111341.2977 25.4093 -5.2470 3 418.0755375 89503 303622637 622438 a-Alanine, conf. II
111343.5924 0.2942 -5.8091 3 93.0923177 89503 303291416 281513 a-Alanine, conf. II
111347.0242143.8836 -5.5702 3 791.2076519 89503 303863254 863255 a-Alanine, conf. II
111396.6366 2.9333 -4.7211 3 321.5526339 89503 303561640 561641 a-Alanine, conf. II
111396.6825 2.9333 -5.2086 3 321.5526339 89503 303561640 561541 a-Alanine, conf. II
111397.1906 2.9329 -5.2086 3 321.5526339 89503 303561740 561641 a-Alanine, conf. II
111397.2365 2.9328 -4.7211 3 321.5526339 89503 303561740 561541 a-Alanine, conf. II
111409.4827 0.4980 -5.5541 3 78.8231159 89503 303261512 261313 a-Alanine, conf. II
111423.6994271.0457 -5.8352 3 925.6951561 89503 303933558 933559 a-Alanine, conf. II
111436.3083 10.9332 -5.7771 3 748.8434501 89503 303833549 833450 a-Alanine, conf. II
111494.3145 0.4398 -5.5758 3 102.6780189 89503 303311219 301416 a-Alanine, conf. II
111505.9284 1.5190 -5.2639 3 160.5155231 89503 303381821 381622 a-Alanine, conf. II
111513.6259 0.0351 -3.7670 3 38.3443117 89503 30319 910 18 9 9 a-Alanine, conf. II
111539.9903 0.2788 -5.7423 3 90.3455177 89503 303291217 291020 a-Alanine, conf. II
111599.0947 1.3725 -5.3509 3 150.7421249 89503 30341 536 41 437 a-Alanine, conf. II
111599.0947 1.3725 -4.7562 3 150.7421249 89503 30341 536 41 537 a-Alanine, conf. II
111599.0947 1.3725 -4.7562 3 150.7421249 89503 30341 636 41 437 a-Alanine, conf. II
111599.0947 1.3725 -5.3509 3 150.7421249 89503 30341 636 41 537 a-Alanine, conf. II
111615.1460 30.7863 -5.4947 3 567.2807441 89503 303732747 732648 a-Alanine, conf. II
111688.5967 2.0895 -5.2068 3 195.5401237 89503 303392712 392613 a-Alanine, conf. II
111688.5967 2.0895 -5.2068 3 195.5401237 89503 303392713 392614 a-Alanine, conf. II
111742.6918 0.4968 -5.5518 3 78.8121159 89503 303261511 261314 a-Alanine, conf. II
111759.7032 2.6522 -5.2244 3 358.8860339 89503 303562927 562828 a-Alanine, conf. II
111761.1821 2.6498 -5.2244 3 358.8860339 89503 303562928 562829 a-Alanine, conf. II
111800.9075 29.9510 -5.1323 3 567.2745441 89503 303732747 732548 a-Alanine, conf. II
111822.3476 68.1663 -5.8171 3 769.2296507 89503 303843648 843549 a-Alanine, conf. II
111841.0968 36.1588 -5.3928 3 686.2848483 89503 303803150 802951 a-Alanine, conf. II
111849.7642 2.1377 -5.1722 3 284.0012297 89503 303492821 492722 a-Alanine, conf. II
111849.7760 2.1377 -5.1722 3 284.0012297 89503 303492822 492723 a-Alanine, conf. II
111868.6479 33.9970 -5.3784 3 591.7665447 89503 303743045 742846 a-Alanine, conf. II
111892.6540 18.2873 -5.5433 3 602.3564447 89503 303743341 743242 a-Alanine, conf. II
111893.1238 0.3855 -5.8313 3 100.7365183 89503 303301516 291613 a-Alanine, conf. II
111905.2978 62.3132 -5.8527 3 795.1563519 89503 303863453 863354 a-Alanine, conf. II
111921.7474 0.0246 -5.1403 3 39.7350123 89503 30320 614 19 713 a-Alanine, conf. II
111959.7448 20.8151 -5.2281 3 379.2933357 89503 303592535 592336 a-Alanine, conf. II
111963.2637 0.3029 -5.8035 3 93.0915177 89503 303291415 281514 a-Alanine, conf. II
112004.4462 6.1992 -5.3713 3 485.1536399 89503 303663135 663036 a-Alanine, conf. II
112009.5456 2.1238 -5.2214 3 188.1436231 89503 303382711 382612 a-Alanine, conf. II
112009.5456 2.1238 -5.2214 3 188.1436231 89503 303382712 382613 a-Alanine, conf. II
112017.7868 0.0284 -5.1936 3 35.9985117 89503 30319 713 18 612 a-Alanine, conf. II
112073.4122 0.3900 -5.8297 3 100.7363183 89503 303301515 291614 a-Alanine, conf. II
112132.2925 5.7472 -5.3703 3 485.1487399 89503 303663136 663037 a-Alanine, conf. II
112150.1854 0.5568 -5.1878 3 235.8462297 89503 303491138 491039 a-Alanine, conf. II
112150.1854 0.5568 -4.6469 3 235.8462297 89503 303491138 491139 a-Alanine, conf. II
112150.1862 0.5568 -4.6469 3 235.8462297 89503 303491238 491039 a-Alanine, conf. II
112150.1862 0.5568 -5.1878 3 235.8462297 89503 303491238 491139 a-Alanine, conf. II
112180.5222 36.6393 -5.5398 3 599.6763453 89503 303752848 752749 a-Alanine, conf. II
112190.4495 1.1837 -5.2311 3 191.4115273 89503 30345 837 45 738 a-Alanine, conf. II
112190.4495 1.1837 -4.6621 3 191.4115273 89503 30345 837 45 838 a-Alanine, conf. II
112190.4495 1.1837 -4.6621 3 191.4115273 89503 30345 937 45 738 a-Alanine, conf. II
112190.4495 1.1837 -5.2311 3 191.4115273 89503 30345 937 45 838 a-Alanine, conf. II
112219.7058 0.1277 -5.6924 3 61.2114147 89503 303241014 231113 a-Alanine, conf. II
112238.9532 14.4906 -4.9258 3 458.8216399 89503 303662244 662245 a-Alanine, conf. II
112249.9006 14.4623 -5.3433 3 458.8213399 89503 303662244 662145 a-Alanine, conf. II
112270.8037 0.0773 -3.5710 3 43.6783147 89503 30324 024 23 023 a-Alanine, conf. II
112270.8037 0.0773 -4.6739 3 43.6783147 89503 30324 024 23 123 a-Alanine, conf. II
112270.8037 0.0773 -4.6739 3 43.6783147 89503 30324 124 23 023 a-Alanine, conf. II
112270.8037 0.0773 -3.5710 3 43.6783147 89503 30324 124 23 123 a-Alanine, conf. II
112296.7999 0.5800 -5.3302 3 114.9063195 89503 303321616 321419 a-Alanine, conf. II
112304.2674 2.1587 -5.2393 3 180.9433225 89503 303372710 372611 a-Alanine, conf. II
112304.2674 2.1587 -5.2393 3 180.9433225 89503 303372711 372612 a-Alanine, conf. II
112320.4911 0.5141 -5.7056 3 120.5710207 89503 303341123 331320 a-Alanine, conf. II
112327.4937 14.2607 -5.3427 3 458.8216399 89503 303662344 662245 a-Alanine, conf. II
112334.6737 1.4297 -5.4181 3 140.2202243 89503 30340 436 40 337 a-Alanine, conf. II
112334.6737 1.4297 -4.8151 3 140.2202243 89503 30340 436 40 437 a-Alanine, conf. II
112334.6737 1.4297 -4.8151 3 140.2202243 89503 30340 536 40 337 a-Alanine, conf. II
112334.6737 1.4297 -5.4181 3 140.2202243 89503 30340 536 40 437 a-Alanine, conf. II
112338.4411 14.2324 -4.9251 3 458.8213399 89503 303662344 662145 a-Alanine, conf. II
112362.2020 3.7067 -5.2861 3 419.4742369 89503 303613031 612932 a-Alanine, conf. II
112377.0503 10.1854 -5.4495 3 542.1078423 89503 303703238 703139 a-Alanine, conf. II
112377.8031 3.6683 -5.2860 3 419.4736369 89503 303613032 612933 a-Alanine, conf. II
112396.1688 7.1261 -4.8063 3 387.3991369 89503 303611942 611943 a-Alanine, conf. II
112396.9866 7.1248 -5.2609 3 387.3991369 89503 303611942 611843 a-Alanine, conf. II
112404.2040 7.1130 -5.2608 3 387.3991369 89503 303612042 611943 a-Alanine, conf. II
112405.0218 7.1117 -4.8062 3 387.3991369 89503 303612042 611843 a-Alanine, conf. II
112477.6111 2.1421 -5.1675 3 274.6276291 89503 303482820 482721 a-Alanine, conf. II
112477.6148 2.1421 -5.1675 3 274.6276291 89503 303482821 482722 a-Alanine, conf. II
112479.3742 35.0955 -5.1896 3 599.6664453 89503 303752848 752649 a-Alanine, conf. II
112515.9455 0.0181 -4.8311 3 42.6519135 89503 30322 319 21 418 a-Alanine, conf. II
112515.9782 0.0181 -3.6376 3 42.6519135 89503 30322 419 21 418 a-Alanine, conf. II
112516.0439 0.0181 -3.6376 3 42.6519135 89503 30322 319 21 318 a-Alanine, conf. II
112516.0766 0.0181 -4.8311 3 42.6519135 89503 30322 419 21 318 a-Alanine, conf. II
112574.5443 2.1940 -5.2612 3 173.9387219 89503 3033627 9 362610 a-Alanine, conf. II
112574.5443 2.1940 -5.2612 3 173.9387219 89503 303362710 362611 a-Alanine, conf. II
112631.6568 0.2329 -5.7729 3 85.7833171 89503 303281315 271414 a-Alanine, conf. II
112643.9442 0.0494 -5.3385 3 15.7646 81 89503 30313 5 8 12 3 9 a-Alanine, conf. II
112678.4532 16.2819 -5.2146 3 342.3800339 89503 303562433 562234 a-Alanine, conf. II
112679.3969 43.0861 -5.5878 3 632.9347465 89503 303772949 772850 a-Alanine, conf. II
112699.7977 2.5538 -5.2108 3 348.1051333 89503 303552926 552827 a-Alanine, conf. II
112700.3552 2.5529 -5.2108 3 348.1051333 89503 303552927 552828 a-Alanine, conf. II
112730.0595 0.1628 -4.6849 3 61.6611123 89503 3032019 1 1919 0 a-Alanine, conf. II
112730.0595 0.1628 -4.6849 3 61.6611123 89503 3032019 2 1919 1 a-Alanine, conf. II
112763.5721 0.0433 -5.6404 3 12.2246 69 89503 30311 7 5 10 5 6 a-Alanine, conf. II
112780.8459 8.3439 -5.4464 3 542.0921423 89503 303703239 703140 a-Alanine, conf. II
112802.5309 0.6968 -4.6615 3 270.6552315 89503 303521339 521340 a-Alanine, conf. II
112802.5316 0.6968 -5.1830 3 270.6552315 89503 303521339 521240 a-Alanine, conf. II
112802.5415 0.6968 -5.1830 3 270.6552315 89503 303521439 521340 a-Alanine, conf. II
112802.5422 0.6968 -4.6615 3 270.6552315 89503 303521439 521240 a-Alanine, conf. II
112822.0282 2.2295 -5.2878 3 167.1294213 89503 3033527 8 3526 9 a-Alanine, conf. II
112822.0282 2.2295 -5.2878 3 167.1294213 89503 3033527 9 352610 a-Alanine, conf. II
112853.0312 0.1417 -4.3887 3 59.0037123 89503 3032018 2 1918 1 a-Alanine, conf. II
112853.0312 0.1417 -4.3887 3 59.0037123 89503 3032018 3 1918 2 a-Alanine, conf. II
112869.8861 0.1324 -4.9764 3 19.5987 75 89503 3031211 2 1110 1 a-Alanine, conf. II
112869.8873 0.1324 -4.9764 3 19.5987 75 89503 3031211 1 1110 2 a-Alanine, conf. II
112919.0123 0.0153 -3.7001 3 39.7350123 89503 30320 714 19 713 a-Alanine, conf. II
112921.1243 7.2090 -5.4699 3 705.6221489 89503 303813250 813051 a-Alanine, conf. II
112988.3305 2.4281 -5.2351 3 186.0822249 89503 303411923 411724 a-Alanine, conf. II
112990.8312 4.1026 -4.7424 3 346.4500351 89503 303581741 581742 a-Alanine, conf. II
112990.9228 4.1025 -5.2212 3 346.4500351 89503 303581741 581642 a-Alanine, conf. II
112991.8766 4.1014 -5.2212 3 346.4500351 89503 303581841 581742 a-Alanine, conf. II
112991.9682 4.1013 -4.7424 3 346.4500351 89503 303581841 581642 a-Alanine, conf. II
112999.2065 0.1218 -4.2179 3 56.4943123 89503 3032017 3 1917 2 a-Alanine, conf. II
112999.2065 0.1218 -4.2179 3 56.4943123 89503 3032017 4 1917 3 a-Alanine, conf. II
113010.3001 0.3722 -5.6203 3 103.6623189 89503 303311318 311121 a-Alanine, conf. II
113013.0775 1.4585 -5.5142 3 129.9344237 89503 30339 336 39 237 a-Alanine, conf. II
113013.0775 1.4585 -4.9030 3 129.9344237 89503 30339 336 39 337 a-Alanine, conf. II
113013.0775 1.4585 -4.9030 3 129.9344237 89503 30339 436 39 237 a-Alanine, conf. II
113013.0775 1.4585 -5.5142 3 129.9344237 89503 30339 436 39 337 a-Alanine, conf. II
113022.8062 30.9401 -5.4255 3 639.8031465 89503 303773147 772948 a-Alanine, conf. II
113048.2558 2.2649 -5.3201 3 160.5147207 89503 3033427 7 3426 8 a-Alanine, conf. II
113048.2558 2.2649 -5.3201 3 160.5147207 89503 3033427 8 3426 9 a-Alanine, conf. II
113051.2564 11.7458 -5.5345 3 602.3103447 89503 303743342 743243 a-Alanine, conf. II
113058.2054 2.1542 -5.1644 3 265.4560285 89503 303472819 472720 a-Alanine, conf. II
113058.2065 2.1542 -5.1644 3 265.4560285 89503 303472820 472721 a-Alanine, conf. II
113068.0950 15.0507 -5.6333 3 665.8014471 89503 303783445 783346 a-Alanine, conf. II
113100.6991 2.0158 -4.6939 3 307.5290333 89503 303551540 551541 a-Alanine, conf. II
113100.7078 2.0158 -5.1949 3 307.5290333 89503 303551540 551441 a-Alanine, conf. II
113100.8145 2.0158 -5.1949 3 307.5290333 89503 303551640 551541 a-Alanine, conf. II
113100.8232 2.0158 -4.6939 3 307.5290333 89503 303551640 551441 a-Alanine, conf. II
113105.0872 0.5132 -5.6119 3 73.7955153 89503 303251511 251312 a-Alanine, conf. II
113105.9779 15.7980 -5.7408 3 732.5563495 89503 303823548 823449 a-Alanine, conf. II
113118.6778 1.3639 -5.2568 3 179.9331267 89503 30344 737 44 638 a-Alanine, conf. II
113118.6778 1.3639 -4.6785 3 179.9331267 89503 30344 737 44 738 a-Alanine, conf. II
113118.6778 1.3639 -4.6785 3 179.9331267 89503 30344 837 44 638 a-Alanine, conf. II
113118.6778 1.3639 -5.2568 3 179.9331267 89503 30344 837 44 738 a-Alanine, conf. II
113130.5441 50.0010 -5.6384 3 667.0535477 89503 303793050 792951 a-Alanine, conf. II
113154.1990 40.2882 -5.2502 3 632.9188465 89503 303772949 772750 a-Alanine, conf. II
113171.9182 18.1745 -4.9696 3 488.1626411 89503 303682345 682346 a-Alanine, conf. II
113175.0114 0.1030 -4.0986 3 54.1339123 89503 3032016 4 1916 3 a-Alanine, conf. II
113175.0114 0.1030 -4.0986 3 54.1339123 89503 3032016 5 1916 4 a-Alanine, conf. II
113190.8174 18.1165 -5.3766 3 488.1620411 89503 303682345 682246 a-Alanine, conf. II
113198.9054111.2892 -5.4791 3 754.0988507 89503 303843153 843154 a-Alanine, conf. II
113231.2519 0.5128 -5.6110 3 73.7914153 89503 303251510 251313 a-Alanine, conf. II
113254.6611 2.3001 -5.3594 3 154.0942201 89503 3033327 6 3326 7 a-Alanine, conf. II
113254.6611 2.3001 -5.3594 3 154.0942201 89503 3033327 7 3326 8 a-Alanine, conf. II
113315.5806 0.8587 -5.1938 3 223.4289291 89503 303481038 48 939 a-Alanine, conf. II
113315.5806 0.8587 -4.6424 3 223.4289291 89503 303481038 481039 a-Alanine, conf. II
113315.5807 0.8587 -4.6424 3 223.4289291 89503 303481138 48 939 a-Alanine, conf. II
113315.5807 0.8587 -5.1938 3 223.4289291 89503 303481138 481039 a-Alanine, conf. II
113317.6439 17.7290 -5.3756 3 488.1626411 89503 303682445 682346 a-Alanine, conf. II
113336.5431 17.6710 -4.9684 3 488.1620411 89503 303682445 682246 a-Alanine, conf. II
113363.7658 12.1617 -5.2063 3 307.3426321 89503 303532331 532132 a-Alanine, conf. II
113389.4453 0.0853 -4.0077 3 51.9235123 89503 3032015 6 1915 5 a-Alanine, conf. II
113389.4456 0.0853 -4.0077 3 51.9235123 89503 3032015 5 1915 4 a-Alanine, conf. II
113442.5866 2.3349 -5.4080 3 147.8674195 89503 3033227 5 3226 6 a-Alanine, conf. II
113442.5866 2.3349 -5.4080 3 147.8674195 89503 3033227 6 3226 7 a-Alanine, conf. II
113520.7534 25.5097 -5.6097 3 650.6039465 89503 303773443 773344 a-Alanine, conf. II
113550.0608 31.1932 -5.4600 3 721.6602495 89503 303823251 823052 a-Alanine, conf. II
113550.2296 0.0370 -5.4704 3 14.4991 75 89503 30312 7 5 11 5 6 a-Alanine, conf. II
113559.1160 57.1683 -5.6916 3 702.0306489 89503 303813151 813052 a-Alanine, conf. II
113567.0022 2.4853 -5.1987 3 337.5314327 89503 303542925 542826 a-Alanine, conf. II
113567.0880 3.4038 -5.2669 3 407.6826363 89503 303603030 602931 a-Alanine, conf. II
113567.2056 2.4851 -5.1987 3 337.5314327 89503 303542926 542827 a-Alanine, conf. II
113573.5263 3.3890 -5.2669 3 407.6824363 89503 303603031 602932 a-Alanine, conf. II
113590.6578 5.3165 -5.3460 3 472.3375393 89503 303653134 653035 a-Alanine, conf. II
113595.2333 2.1725 -5.1629 3 256.4857279 89503 303462818 462719 a-Alanine, conf. II
113595.2336 2.1725 -5.1629 3 256.4857279 89503 303462819 462720 a-Alanine, conf. II
113613.2924 2.3692 -5.4690 3 141.8339189 89503 3033127 4 3126 5 a-Alanine, conf. II
113613.2924 2.3692 -5.4690 3 141.8339189 89503 3033127 5 3126 6 a-Alanine, conf. II
113638.7275 1.4621 -5.6620 3 119.8865231 89503 30338 236 38 137 a-Alanine, conf. II
113638.7275 1.4621 -5.0431 3 119.8865231 89503 30338 236 38 237 a-Alanine, conf. II
113638.7275 1.4621 -5.0431 3 119.8865231 89503 30338 336 38 137 a-Alanine, conf. II
113638.7275 1.4621 -5.6620 3 119.8865231 89503 30338 336 38 237 a-Alanine, conf. II
113648.0978 5.1231 -5.3456 3 472.3353393 89503 303653135 653036 a-Alanine, conf. II
113651.0237 0.0596 -5.7167 3 19.0537 87 89503 30314 6 8 13 5 9 a-Alanine, conf. II
113655.5753 0.0690 -3.9348 3 49.8651123 89503 3032014 7 1914 6 a-Alanine, conf. II
113655.5849 0.0690 -3.9348 3 49.8651123 89503 3032014 6 1914 5 a-Alanine, conf. II
113708.5435 9.2303 -4.8389 3 414.5282381 89503 303632043 632044 a-Alanine, conf. II
113710.0513 9.2274 -5.2841 3 414.5281381 89503 303632043 631944 a-Alanine, conf. II
113722.6257 9.2024 -5.2840 3 414.5282381 89503 303632143 632044 a-Alanine, conf. II
113724.1335 9.1995 -4.8387 3 414.5281381 89503 303632143 631944 a-Alanine, conf. II
113767.9639 2.4030 -5.5479 3 135.9932183 89503 3033027 3 3026 4 a-Alanine, conf. II
113767.9639 2.4030 -5.5479 3 135.9932183 89503 3033027 4 3026 5 a-Alanine, conf. II
113811.5190 3.8489 -5.2167 3 213.5524267 89503 303442025 441826 a-Alanine, conf. II
113874.0623 8.6716 -5.2035 3 274.1880303 89503 303502229 502030 a-Alanine, conf. II
113875.5848 45.0277 -5.3138 3 667.0286477 89503 303793050 792851 a-Alanine, conf. II
113907.7192 2.4361 -5.6549 3 130.3449177 89503 3032927 2 2926 3 a-Alanine, conf. II
113907.7192 2.4361 -5.6549 3 130.3449177 89503 3032927 3 2926 4 a-Alanine, conf. II
113959.3983 0.0296 -4.7547 3 44.4264141 89503 30323 221 22 320 a-Alanine, conf. II
113959.3986 0.0296 -3.5995 3 44.4264141 89503 30323 321 22 320 a-Alanine, conf. II
113959.3992 0.0296 -3.5995 3 44.4264141 89503 30323 221 22 220 a-Alanine, conf. II
113959.3994 0.0296 -4.7547 3 44.4264141 89503 30323 321 22 220 a-Alanine, conf. II
113975.6978 1.5037 -5.2923 3 168.6853261 89503 30343 637 43 538 a-Alanine, conf. II
113975.6978 1.5037 -4.7050 3 168.6853261 89503 30343 637 43 638 a-Alanine, conf. II
113975.6978 1.5037 -4.7050 3 168.6853261 89503 30343 737 43 538 a-Alanine, conf. II
113975.6978 1.5037 -5.2923 3 168.6853261 89503 30343 737 43 638 a-Alanine, conf. II
113975.9185 22.6593 -5.0173 3 518.3756423 89503 303702446 702447 a-Alanine, conf. II
113986.3221 0.0146 -3.6899 3 39.6662123 89503 30320 614 19 613 a-Alanine, conf. II
113993.2447 0.0541 -3.8742 3 47.9611123 89503 3032013 8 1913 7 a-Alanine, conf. II
113993.4774 0.0541 -3.8742 3 47.9611123 89503 3032013 7 1913 6 a-Alanine, conf. II
113997.0379 64.2646 -5.7471 3 737.8638501 89503 303833252 833153 a-Alanine, conf. II
114008.0770 22.5432 -5.4134 3 518.3746423 89503 303702446 702347 a-Alanine, conf. II
114025.8736 0.7248 -5.3039 3 141.7796219 89503 303361620 361423 a-Alanine, conf. II
114033.6142 2.4685 -5.8132 3 124.8887171 89503 3032827 1 2826 2 a-Alanine, conf. II
114033.6142 2.4685 -5.8132 3 124.8887171 89503 3032827 2 2826 3 a-Alanine, conf. II
114064.8616 0.5856 -5.3597 3 108.6665189 89503 303311615 311418 a-Alanine, conf. II
114067.7796 5.9036 -5.2066 3 242.9227285 89503 303472127 471928 a-Alanine, conf. II
114091.9800 2.1958 -5.1632 3 247.7157273 89503 303452817 452718 a-Alanine, conf. II
114091.9801 2.1958 -5.1632 3 247.7157273 89503 303452818 452719 a-Alanine, conf. II
114126.8882102.7666 -5.7801 3 754.0678507 89503 303843153 843054 a-Alanine, conf. II
114136.7795 0.8617 -5.8107 3 169.7137243 89503 303401526 391723 a-Alanine, conf. II
114149.6665 0.4485 -4.6471 3 257.5359309 89503 303511239 511240 a-Alanine, conf. II
114149.6667 0.4485 -5.1800 3 257.5359309 89503 303511239 511140 a-Alanine, conf. II
114149.6684 0.4485 -5.1800 3 257.5359309 89503 303511339 511240 a-Alanine, conf. II
114149.6685 0.4485 -4.6471 3 257.5359309 89503 303511339 511140 a-Alanine, conf. II
114156.7294 0.0913 -5.0321 3 20.5117 81 89503 3031310 4 12 9 3 a-Alanine, conf. II
114157.3205 0.0913 -5.0321 3 20.5117 81 89503 3031310 3 12 9 4 a-Alanine, conf. II
114212.4647 21.8155 -5.4119 3 518.3756423 89503 303702546 702447 a-Alanine, conf. II
114215.5750 1.4438 -5.3091 3 110.0781225 89503 30337 136 37 137 a-Alanine, conf. II
114215.5750 1.4438 -5.3091 3 110.0781225 89503 30337 236 37 037 a-Alanine, conf. II
114244.6232 21.6995 -5.0153 3 518.3746423 89503 303702546 702347 a-Alanine, conf. II
114249.4839 0.0221 -3.6962 3 36.7234117 89503 30319 712 18 711 a-Alanine, conf. II
114317.3410 0.0341 -5.5001 3 13.5803 75 89503 30312 6 7 11 4 8 a-Alanine, conf. II
114332.1092 8.2599 -5.4192 3 528.4724417 89503 303693237 693138 a-Alanine, conf. II
114340.6061 0.0151 -4.9694 3 42.1692129 89503 30321 516 20 615 a-Alanine, conf. II
114347.2736 0.0407 -3.7113 3 37.3985117 89503 30319 811 18 810 a-Alanine, conf. II
114368.3833 2.4401 -5.1880 3 327.1638321 89503 303532924 532825 a-Alanine, conf. II
114368.4551 2.4400 -5.1880 3 327.1638321 89503 303532925 532826 a-Alanine, conf. II
114380.1325 0.0149 -3.6628 3 42.1692129 89503 30321 616 20 615 a-Alanine, conf. II
114390.1597 1.1480 -5.2052 3 211.2360285 89503 30347 938 47 839 a-Alanine, conf. II
114390.1597 1.1480 -4.6438 3 211.2360285 89503 30347 938 47 939 a-Alanine, conf. II
114390.1598 1.1480 -4.6438 3 211.2360285 89503 303471038 47 839 a-Alanine, conf. II
114390.1598 1.1480 -5.2052 3 211.2360285 89503 303471038 47 939 a-Alanine, conf. II
114410.3390 86.7853 -5.3961 3 717.8438495 89503 303823052 823053 a-Alanine, conf. II
114416.9519 13.9396 -5.5064 3 587.8889441 89503 303733340 733241 a-Alanine, conf. II
114433.3841 0.0411 -3.8227 3 46.2154123 89503 3032012 9 1912 8 a-Alanine, conf. II
114437.5787 0.0412 -3.8226 3 46.2154123 89503 3032012 8 1912 7 a-Alanine, conf. II
114439.2772 0.0148 -3.6623 3 42.1659129 89503 30321 516 20 515 a-Alanine, conf. II
114478.8036 0.0147 -4.9682 3 42.1659129 89503 30321 616 20 515 a-Alanine, conf. II
114482.8407 70.8513 -5.8046 3 774.5511513 89503 303853353 853254 a-Alanine, conf. II
114493.7916 0.5316 -5.6787 3 68.9795147 89503 303241510 241311 a-Alanine, conf. II
114511.4309 5.5558 -4.7678 3 372.2318363 89503 303601842 601843 a-Alanine, conf. II
114511.6098 5.5556 -5.2379 3 372.2318363 89503 303601842 601743 a-Alanine, conf. II
114513.3633 5.5531 -5.2379 3 372.2318363 89503 303601942 601843 a-Alanine, conf. II
114513.5422 5.5528 -4.7678 3 372.2318363 89503 303601942 601743 a-Alanine, conf. II
114523.4941 7.4151 -5.4177 3 528.4650417 89503 303693238 693139 a-Alanine, conf. II
114538.2101 0.5314 -5.6784 3 68.9780147 89503 3032415 9 241312 a-Alanine, conf. II
114551.3935 2.2229 -5.1654 3 239.1454267 89503 303442816 442717 a-Alanine, conf. II
114551.3935 2.2229 -5.1654 3 239.1454267 89503 303442817 442718 a-Alanine, conf. II
114574.2111 0.6104 -5.4033 3 102.6780183 89503 303301615 301416 a-Alanine, conf. II
114604.1579 24.9021 -5.4780 3 689.6768483 89503 303803249 803050 a-Alanine, conf. II
114630.8715209.8129 -5.7256 3 885.6167549 89503 303913457 913458 a-Alanine, conf. II
114632.2547 28.1524 -5.0689 3 549.4586435 89503 303722547 722548 a-Alanine, conf. II
114658.8117 1.2391 -4.6711 3 293.7167327 89503 303541440 541441 a-Alanine, conf. II
114658.8132 1.2391 -5.1846 3 293.7167327 89503 303541440 541341 a-Alanine, conf. II
114658.8340 1.2391 -5.1846 3 293.7167327 89503 303541540 541441 a-Alanine, conf. II
114658.8356 1.2391 -4.6711 3 293.7167327 89503 303541540 541341 a-Alanine, conf. II
114671.9811 3.1802 -5.2493 3 396.1023357 89503 303593029 592930 a-Alanine, conf. II
114674.5591 3.1747 -5.2493 3 396.1022357 89503 303593030 592931 a-Alanine, conf. II
114686.2293 27.9249 -5.4539 3 549.4568435 89503 303722547 722448 a-Alanine, conf. II
114713.7500 48.4974 -5.3803 3 701.9920489 89503 303813151 812952 a-Alanine, conf. II
114733.3167 0.5646 -5.5131 3 117.8665201 89503 303331419 331222 a-Alanine, conf. II
114767.5256 1.6057 -5.3409 3 157.6702255 89503 30342 537 42 438 a-Alanine, conf. II
114767.5256 1.6057 -4.7450 3 157.6702255 89503 30342 537 42 538 a-Alanine, conf. II
114767.5256 1.6057 -4.7450 3 157.6702255 89503 30342 637 42 438 a-Alanine, conf. II
114767.5256 1.6057 -5.3409 3 157.6702255 89503 30342 637 42 538 a-Alanine, conf. II
114799.1704 2.9771 -4.7118 3 331.9547345 89503 303571641 571642 a-Alanine, conf. II
114799.1885 2.9771 -5.2044 3 331.9547345 89503 303571641 571542 a-Alanine, conf. II
114799.3971 2.9769 -5.2044 3 331.9547345 89503 303571741 571642 a-Alanine, conf. II
114799.4152 2.9769 -4.7118 3 331.9547345 89503 303571741 571542 a-Alanine, conf. II
114802.2720 0.1803 -5.7301 3 78.8121165 89503 303271215 261314 a-Alanine, conf. II
114869.5514 0.0378 -5.2249 3 23.5223 93 89503 30315 8 8 14 7 7 a-Alanine, conf. II
114932.5413 11.7785 -4.8752 3 442.5358393 89503 303652144 652145 a-Alanine, conf. II
114935.2720 11.7721 -5.3110 3 442.5357393 89503 303652144 652045 a-Alanine, conf. II
114956.8245 11.7207 -5.3108 3 442.5358393 89503 303652244 652145 a-Alanine, conf. II
114959.5553 11.7144 -4.8750 3 442.5357393 89503 303652244 652045 a-Alanine, conf. II
114968.3848 35.4762 -5.6824 3 700.7123483 89503 303803545 803446 a-Alanine, conf. II
114976.1351 2.2531 -5.1696 3 230.7741261 89503 303432815 432716 a-Alanine, conf. II
114976.1351 2.2531 -5.1696 3 230.7741261 89503 303432816 432717 a-Alanine, conf. II
114983.5871 0.0216 -5.1101 3 39.6662123 89503 30320 714 19 613 a-Alanine, conf. II
114996.9682 10.7155 -5.5021 3 587.8661441 89503 303733341 733242 a-Alanine, conf. II
115005.5722 81.9070 -5.7144 3 717.8240495 89503 303823052 822953 a-Alanine, conf. II
115011.1085 26.5888 -5.4515 3 549.4586435 89503 303722647 722548 a-Alanine, conf. II
115014.6212 0.0312 -3.7776 3 44.6338123 89503 303201110 1911 9 a-Alanine, conf. II
115019.3716 4.6852 -5.3227 3 459.7387387 89503 303643133 643034 a-Alanine, conf. II
115036.8935 0.8573 -5.3100 3 129.8898207 89503 303341718 341519 a-Alanine, conf. II
115044.4149 4.6054 -5.3225 3 459.7377387 89503 303643134 643035 a-Alanine, conf. II
115060.0361 17.9668 -5.7036 3 716.4814489 89503 303813547 813448 a-Alanine, conf. II
115065.0831 26.3615 -5.0657 3 549.4568435 89503 303722647 722448 a-Alanine, conf. II
115069.6974 0.0318 -3.7772 3 44.6347123 89503 3032011 9 1911 8 a-Alanine, conf. II
115089.2245 0.2793 -5.3871 3 95.2514183 89503 303301119 291316 a-Alanine, conf. II
115109.9197 2.4131 -5.1788 3 317.0010315 89503 303522923 522824 a-Alanine, conf. II
115109.9442 2.4131 -5.1788 3 317.0009315 89503 303522924 522825 a-Alanine, conf. II
115111.8879 68.3340 -5.3199 3 682.4451483 89503 303802951 802952 a-Alanine, conf. II
115115.4449 34.9459 -5.1247 3 581.4093447 89503 303742648 742649 a-Alanine, conf. II
115120.7937 14.7214 -5.5978 3 650.5396465 89503 303773444 773345 a-Alanine, conf. II
115138.3816 17.0949 -5.8172 3 785.6791513 89503 303853650 853551 a-Alanine, conf. II
115185.7917 0.0261 -5.6398 3 12.7589 75 89503 30312 5 8 11 3 9 a-Alanine, conf. II
115204.8554 34.5096 -5.4980 3 581.4063447 89503 303742648 742549 a-Alanine, conf. II
115240.1142 0.0191 -3.6945 3 40.8569123 89503 30320 813 19 812 a-Alanine, conf. II
115287.8955 0.0615 -5.1039 3 21.7963 87 89503 30314 9 6 13 8 5 a-Alanine, conf. II
115353.7823 0.0619 -5.1036 3 21.7944 87 89503 30314 9 5 13 8 6 a-Alanine, conf. II
115368.6208 2.2857 -5.1760 3 222.6011255 89503 303422814 422715 a-Alanine, conf. II
115368.6208 2.2857 -5.1760 3 222.6011255 89503 303422815 422716 a-Alanine, conf. II
115382.5913 1.3952 -5.2230 3 199.2696279 89503 30346 838 46 739 a-Alanine, conf. II
115382.5913 1.3952 -4.6520 3 199.2696279 89503 30346 838 46 839 a-Alanine, conf. II
115382.5913 1.3952 -4.6520 3 199.2696279 89503 30346 938 46 739 a-Alanine, conf. II
115382.5913 1.3952 -5.2230 3 199.2696279 89503 30346 938 46 839 a-Alanine, conf. II
115389.9932 0.6890 -5.1813 3 244.6363303 89503 303501139 501040 a-Alanine, conf. II
115389.9932 0.6890 -4.6375 3 244.6363303 89503 303501139 501140 a-Alanine, conf. II
115389.9935 0.6890 -4.6375 3 244.6363303 89503 303501239 501040 a-Alanine, conf. II
115389.9935 0.6890 -5.1813 3 244.6363303 89503 303501239 501140 a-Alanine, conf. II
115390.7003 43.4593 -5.1848 3 614.2255459 89503 303762749 762750 a-Alanine, conf. II
115410.7184 54.2987 -5.2497 3 647.9049471 89503 303782850 782851 a-Alanine, conf. II
115417.3396 0.0551 -3.5623 3 46.0153147 89503 30324 123 23 122 a-Alanine, conf. II
115417.3396 0.0551 -4.6881 3 46.0153147 89503 30324 123 23 222 a-Alanine, conf. II
115417.3396 0.0551 -4.6881 3 46.0153147 89503 30324 223 23 122 a-Alanine, conf. II
115417.3396 0.0551 -3.5623 3 46.0153147 89503 30324 223 23 222 a-Alanine, conf. II
115489.1735 65.5918 -5.6537 3 682.4325483 89503 303802951 802852 a-Alanine, conf. II
115499.4311 1.6731 -5.4078 3 146.8895249 89503 30341 437 41 338 a-Alanine, conf. II
115499.4311 1.6731 -4.8038 3 146.8895249 89503 30341 437 41 438 a-Alanine, conf. II
115499.4311 1.6731 -4.8038 3 146.8895249 89503 30341 537 41 338 a-Alanine, conf. II
115499.4311 1.6731 -5.4078 3 146.8895249 89503 30341 537 41 438 a-Alanine, conf. II
115501.8398 0.6661 -5.6089 3 116.7183201 89503 303331320 321517 a-Alanine, conf. II
115536.9527 42.6389 -5.5458 3 614.2206459 89503 303762749 762650 a-Alanine, conf. II
115647.0348 52.7849 -5.5976 3 647.8970471 89503 303782850 782751 a-Alanine, conf. II
115655.6051 0.5518 -5.7551 3 64.3708141 89503 3032315 9 231310 a-Alanine, conf. II
115657.9155 0.1677 -5.7352 3 84.0683171 89503 303281217 271314 a-Alanine, conf. II
115670.1014 0.5517 -5.7550 3 64.3703141 89503 3032315 8 231311 a-Alanine, conf. II
115689.1908 3.0152 -5.2332 3 384.7317351 89503 303583028 582929 a-Alanine, conf. II
115690.1922 3.0132 -5.2332 3 384.7316351 89503 303583029 582930 a-Alanine, conf. II
115698.7884 0.0258 -3.7382 3 43.2238123 89503 303201011 191010 a-Alanine, conf. II
115711.5099 0.0163 -4.8624 3 44.3900135 89503 30322 418 21 517 a-Alanine, conf. II
115712.3580 0.0163 -3.6266 3 44.3900135 89503 30322 518 21 517 a-Alanine, conf. II
115713.8851 0.0163 -3.6266 3 44.3899135 89503 30322 418 21 417 a-Alanine, conf. II
115714.3063 32.1090 -5.4942 3 581.4093447 89503 303742748 742649 a-Alanine, conf. II
115714.7332 0.0163 -4.8624 3 44.3899135 89503 30322 518 21 417 a-Alanine, conf. II
115731.0547 2.3201 -5.1847 3 214.6257249 89503 303412813 412714 a-Alanine, conf. II
115731.0547 2.3201 -5.1847 3 214.6257249 89503 303412814 412715 a-Alanine, conf. II
115763.9301 49.4443 -5.4492 3 737.8048501 89503 303833252 833053 a-Alanine, conf. II
115796.7571 2.4005 -5.1711 3 307.0420309 89503 303512922 512823 a-Alanine, conf. II
115796.7652 2.4005 -5.1711 3 307.0420309 89503 303512923 512824 a-Alanine, conf. II
115803.7167 31.6730 -5.1197 3 581.4063447 89503 303742748 742549 a-Alanine, conf. II
115846.5056 19.6927 -5.5290 3 757.8747507 89503 303843352 843153 a-Alanine, conf. II
115918.7260 1.1322 -5.8140 3 177.5385249 89503 303411527 401724 a-Alanine, conf. II
115956.0615 7.3391 -4.7971 3 398.8961375 89503 303621943 621944 a-Alanine, conf. II
115956.4034 7.3386 -5.2583 3 398.8961375 89503 303621943 621844 a-Alanine, conf. II
115959.5660 7.3329 -5.2583 3 398.8961375 89503 303622043 621944 a-Alanine, conf. II
115959.9079 7.3324 -4.7971 3 398.8961375 89503 303622043 621844 a-Alanine, conf. II
115967.3392 0.5918 -5.3946 3 102.6321183 89503 303301614 301417 a-Alanine, conf. II
116053.2423 6.9409 -5.3914 3 515.0600411 89503 303683236 683137 a-Alanine, conf. II
116062.3274 0.0233 -3.7077 3 41.9818123 89503 30320 912 19 911 a-Alanine, conf. II
116062.6894 14.8492 -4.9153 3 471.4199405 89503 303672245 672246 a-Alanine, conf. II
116065.4576 2.3560 -5.1961 3 206.8475243 89503 303402812 402713 a-Alanine, conf. II
116065.4576 2.3560 -5.1961 3 206.8475243 89503 303402813 402714 a-Alanine, conf. II
116067.5537 14.8356 -5.3414 3 471.4198405 89503 303672245 672146 a-Alanine, conf. II
116089.2919 0.6461 -4.6527 3 280.1191321 89503 303531340 531341 a-Alanine, conf. II
116089.2922 0.6461 -5.1778 3 280.1191321 89503 303531340 531241 a-Alanine, conf. II
116089.2960 0.6461 -5.1778 3 280.1191321 89503 303531440 531341 a-Alanine, conf. II
116089.2962 0.6461 -4.6527 3 280.1191321 89503 303531440 531241 a-Alanine, conf. II
116103.9306 14.7326 -5.3411 3 471.4199405 89503 303672345 672246 a-Alanine, conf. II
116108.7950 14.7190 -4.9149 3 471.4198405 89503 303672345 672146 a-Alanine, conf. II
116141.2004 6.5679 -5.3907 3 515.0566411 89503 303683237 683138 a-Alanine, conf. II
116176.0705 1.7091 -5.5035 3 136.3450243 89503 30340 337 40 238 a-Alanine, conf. II
116176.0705 1.7091 -4.8917 3 136.3450243 89503 30340 337 40 338 a-Alanine, conf. II
116176.0705 1.7091 -4.8917 3 136.3450243 89503 30340 437 40 238 a-Alanine, conf. II
116176.0705 1.7091 -5.5035 3 136.3450243 89503 30340 437 40 338 a-Alanine, conf. II
116197.2749 0.0310 -3.7344 3 43.2341123 89503 303201010 1910 9 a-Alanine, conf. II
116218.6990 49.0851 -5.7613 3 752.6794501 89503 303833647 833548 a-Alanine, conf. II
116300.2816 1.5966 -5.2484 3 187.5321273 89503 30345 738 45 639 a-Alanine, conf. II
116300.2816 1.5966 -4.6684 3 187.5321273 89503 30345 738 45 739 a-Alanine, conf. II
116300.2816 1.5966 -4.6684 3 187.5321273 89503 30345 838 45 639 a-Alanine, conf. II
116300.2816 1.5966 -5.2484 3 187.5321273 89503 30345 838 45 739 a-Alanine, conf. II
116319.4811 4.2215 -5.3011 3 447.3545381 89503 303633132 633033 a-Alanine, conf. II
116325.0998 38.4175 -5.5401 3 614.2255459 89503 303762849 762750 a-Alanine, conf. II
116327.3295 19.1182 -5.5694 3 635.5314459 89503 303763442 763343 a-Alanine, conf. II
116330.0828 4.1897 -5.3010 3 447.3541381 89503 303633133 633034 a-Alanine, conf. II
116373.6898 2.3927 -5.2104 3 199.2657237 89503 303392811 392712 a-Alanine, conf. II
116373.6898 2.3927 -5.2104 3 199.2657237 89503 303392812 392713 a-Alanine, conf. II
116429.0572 4.1914 -4.7339 3 357.2668357 89503 303591742 591743 a-Alanine, conf. II
116429.0939 4.1913 -5.2181 3 357.2668357 89503 303591742 591643 a-Alanine, conf. II
116429.4923 4.1908 -5.2181 3 357.2668357 89503 303591842 591743 a-Alanine, conf. II
116429.5290 4.1908 -4.7339 3 357.2668357 89503 303591842 591643 a-Alanine, conf. II
116433.3806 2.3993 -5.1648 3 297.2860303 89503 303502921 502822 a-Alanine, conf. II
116433.3832 2.3993 -5.1648 3 297.2860303 89503 303502922 502823 a-Alanine, conf. II
116448.9271 0.0518 -5.0867 3 18.9604 87 89503 30314 6 8 13 4 9 a-Alanine, conf. II
116451.5594 2.0041 -4.6855 3 317.6682339 89503 303561541 561542 a-Alanine, conf. II
116451.5627 2.0041 -5.1908 3 317.6682339 89503 303561541 561442 a-Alanine, conf. II
116451.6052 2.0041 -5.1908 3 317.6682339 89503 303561641 561542 a-Alanine, conf. II
116451.6085 2.0041 -4.6855 3 317.6682339 89503 303561641 561442 a-Alanine, conf. II
116471.3522 37.5979 -5.1771 3 614.2206459 89503 303762849 762650 a-Alanine, conf. II
116515.0409 0.0366 -5.2955 3 16.9083 81 89503 30313 7 6 12 5 7 a-Alanine, conf. II
116534.6219 1.0403 -5.1872 3 231.9590297 89503 303491039 49 940 a-Alanine, conf. II
116534.6219 1.0403 -4.6332 3 231.9590297 89503 303491039 491040 a-Alanine, conf. II
116534.6219 1.0403 -4.6332 3 231.9590297 89503 303491139 49 940 a-Alanine, conf. II
116534.6219 1.0403 -5.1872 3 231.9590297 89503 303491139 491040 a-Alanine, conf. II
116558.4127 11.0801 -5.4732 3 573.6538435 89503 303723339 723240 a-Alanine, conf. II
116587.5636 15.6715 -5.5360 3 741.3841501 89503 303833351 833152 a-Alanine, conf. II
116628.3380 2.8946 -5.2185 3 373.5693345 89503 303573027 572928 a-Alanine, conf. II
116628.7153 2.8939 -5.2185 3 373.5693345 89503 303573028 572929 a-Alanine, conf. II
116629.0858 0.1188 -5.5390 3 55.4118141 89503 30323 914 221013 a-Alanine, conf. II
116657.4711 2.4301 -5.2281 3 191.8798231 89503 303382810 382711 a-Alanine, conf. II
116657.4711 2.4301 -5.2281 3 191.8798231 89503 303382811 382712 a-Alanine, conf. II
116801.5899 1.7172 -5.6509 3 126.0384237 89503 30339 237 39 138 a-Alanine, conf. II
116801.5899 1.7172 -5.0316 3 126.0384237 89503 30339 237 39 238 a-Alanine, conf. II
116801.5899 1.7172 -5.0316 3 126.0384237 89503 30339 337 39 138 a-Alanine, conf. II
116801.5899 1.7172 -5.6509 3 126.0384237 89503 30339 337 39 238 a-Alanine, conf. II
116837.0534 0.6866 -5.2485 3 143.6067219 89503 303361719 361522 a-Alanine, conf. II
116839.3101 9.5570 -5.4712 3 573.6428435 89503 303723340 723241 a-Alanine, conf. II
116849.7252 45.5228 -5.5889 3 647.9049471 89503 303782950 782851 a-Alanine, conf. II
116852.8056 0.8175 -5.4210 3 132.9569213 89503 303351520 351323 a-Alanine, conf. II
116853.2719 0.7008 -5.2429 3 150.8266225 89503 303371720 371523 a-Alanine, conf. II
116876.8817 0.0999 -3.5261 3 47.4233153 89503 30325 025 24 024 a-Alanine, conf. II
116876.8817 0.0999 -4.6286 3 47.4233153 89503 30325 025 24 124 a-Alanine, conf. II
116876.8817 0.0999 -4.6286 3 47.4233153 89503 30325 125 24 024 a-Alanine, conf. II
116876.8817 0.0999 -3.5261 3 47.4233153 89503 30325 125 24 124 a-Alanine, conf. II
116918.3973 2.4679 -5.2498 3 184.6893225 89503 3033728 9 372710 a-Alanine, conf. II
116918.3973 2.4679 -5.2498 3 184.6893225 89503 303372810 372711 a-Alanine, conf. II
116956.2837162.8184 -5.6260 3 846.3854537 89503 303893356 893357 a-Alanine, conf. II
117023.7386 2.4074 -5.1600 3 287.7321297 89503 303492920 492821 a-Alanine, conf. II
117023.7394 2.4074 -5.1600 3 287.7321297 89503 303492921 492822 a-Alanine, conf. II
117035.4440 20.9326 -5.7790 3 769.0119507 89503 303843649 843550 a-Alanine, conf. II
117057.2921 0.0513 -5.2108 3 44.7009129 89503 30321 714 20 813 a-Alanine, conf. II
117086.0416 44.0105 -5.2378 3 647.8970471 89503 303782950 782751 a-Alanine, conf. II
117092.0053 18.5394 -4.9590 3 501.1786417 89503 303692346 692347 a-Alanine, conf. II
117100.5374 18.5111 -5.3752 3 501.1784417 89503 303692346 692247 a-Alanine, conf. II
117121.5692 0.0219 -4.7776 3 46.4050141 89503 30323 320 22 419 a-Alanine, conf. II
117121.5799 0.0219 -3.5899 3 46.4050141 89503 30323 420 22 419 a-Alanine, conf. II
117121.6019 0.0219 -3.5899 3 46.4050141 89503 30323 320 22 319 a-Alanine, conf. II
117121.6126 0.0219 -4.7776 3 46.4050141 89503 30323 420 22 319 a-Alanine, conf. II
117141.5690 18.1704 -5.6665 3 700.6242483 89503 303803546 803447 a-Alanine, conf. II
117145.7818 13.6435 -5.5634 3 635.4989459 89503 303763443 763344 a-Alanine, conf. II
117149.6290 1.7540 -5.2836 3 176.0254267 89503 30344 638 44 539 a-Alanine, conf. II
117149.6290 1.7540 -4.6950 3 176.0254267 89503 30344 638 44 639 a-Alanine, conf. II
117149.6290 1.7540 -4.6950 3 176.0254267 89503 30344 738 44 539 a-Alanine, conf. II
117149.6290 1.7540 -5.2836 3 176.0254267 89503 30344 738 44 639 a-Alanine, conf. II
117150.3569 0.0478 -5.2172 3 23.4640 93 89503 30315 8 7 14 7 8 a-Alanine, conf. II
117151.4310 46.0429 -5.5204 3 774.4621513 89503 303853353 853154 a-Alanine, conf. II
117157.9541 2.5058 -5.2762 3 177.6938219 89503 3033628 8 3627 9 a-Alanine, conf. II
117157.9541 2.5058 -5.2762 3 177.6938219 89503 3033628 9 362710 a-Alanine, conf. II
117161.0446 18.3097 -5.3747 3 501.1786417 89503 303692446 692347 a-Alanine, conf. II
117169.5767 18.2814 -4.9584 3 501.1784417 89503 303692446 692247 a-Alanine, conf. II
117177.9906 0.0198 -5.0446 3 43.5016129 89503 30321 615 20 714 a-Alanine, conf. II
117184.2672 0.1801 -4.8982 3 21.1052 75 89503 3031212 0 1111 1 a-Alanine, conf. II
117184.2672 0.1801 -4.8982 3 21.1052 75 89503 3031212 1 1111 0 a-Alanine, conf. II
117223.3568 0.6082 -5.4389 3 96.8262177 89503 303291614 291415 a-Alanine, conf. II
117298.6126 53.3805 -5.6406 3 682.4451483 89503 303803051 802952 a-Alanine, conf. II
117321.9195 9.5060 -4.8302 3 426.4411387 89503 303642044 642045 a-Alanine, conf. II
117322.5601 9.5047 -5.2824 3 426.4411387 89503 303642044 641945 a-Alanine, conf. II
117325.4404 0.0577 -5.4398 3 22.5667 93 89503 30315 7 8 14 6 9 a-Alanine, conf. II
117328.1644 9.4926 -5.2824 3 426.4411387 89503 303642144 642045 a-Alanine, conf. II
117328.8049 9.4913 -4.8301 3 426.4411387 89503 303642144 641945 a-Alanine, conf. II
117377.5292 2.5437 -5.3082 3 170.8927213 89503 3033528 7 3527 8 a-Alanine, conf. II
117377.5292 2.5437 -5.3082 3 170.8927213 89503 3033528 8 3527 9 a-Alanine, conf. II
117379.7081 1.7008 -5.2974 3 115.9712231 89503 30338 137 38 138 a-Alanine, conf. II
117379.7081 1.7008 -5.2974 3 115.9712231 89503 30338 237 38 038 a-Alanine, conf. II
117406.8266 0.5110 -5.1748 3 266.7389315 89503 303521240 521141 a-Alanine, conf. II
117406.8266 0.5110 -4.6387 3 266.7389315 89503 303521240 521241 a-Alanine, conf. II
117406.8272 0.5110 -5.1748 3 266.7389315 89503 303521340 521241 a-Alanine, conf. II
117406.8273 0.5110 -4.6387 3 266.7389315 89503 303521340 521141 a-Alanine, conf. II
117497.2438 2.8082 -5.2052 3 362.6139339 89503 303563026 562927 a-Alanine, conf. II
117497.3816 2.8079 -5.2052 3 362.6139339 89503 303563027 562928 a-Alanine, conf. II
117510.7335 3.8751 -5.2811 3 435.1830375 89503 303623131 623032 a-Alanine, conf. II
117515.0926 3.8629 -5.2810 3 435.1828375 89503 303623132 623033 a-Alanine, conf. II
117523.6058 0.8878 -5.7960 3 179.6157249 89503 303411626 401823 a-Alanine, conf. II
117571.3357 2.4228 -5.1569 3 278.3794291 89503 303482919 482820 a-Alanine, conf. II
117571.3359 2.4228 -5.1569 3 278.3794291 89503 303482920 482821 a-Alanine, conf. II
117578.4225 2.5813 -5.3473 3 164.2856207 89503 3033428 6 3427 7 a-Alanine, conf. II
117578.4225 2.5813 -5.3473 3 164.2856207 89503 3033428 7 3427 8 a-Alanine, conf. II
117592.8760 1.3631 -5.1984 3 219.5065291 89503 30348 939 48 840 a-Alanine, conf. II
117592.8760 1.3631 -4.6348 3 219.5065291 89503 30348 939 48 940 a-Alanine, conf. II
117592.8760 1.3631 -4.6348 3 219.5065291 89503 303481039 48 840 a-Alanine, conf. II
117592.8760 1.3631 -5.1984 3 219.5065291 89503 303481039 48 940 a-Alanine, conf. II
117595.9983 6.0021 -5.3656 3 501.8667405 89503 303673235 673136 a-Alanine, conf. II
117631.1509 0.0156 -3.6489 3 43.5016129 89503 30321 715 20 714 a-Alanine, conf. II
117635.2452 5.8433 -5.3653 3 501.8652405 89503 303673236 673137 a-Alanine, conf. II
117650.9822 0.2195 -5.7187 3 91.1982177 89503 303291317 281414 a-Alanine, conf. II
117675.8981 50.6412 -5.3017 3 682.4325483 89503 303803051 802852 a-Alanine, conf. II
117687.4251 61.8704 -5.6951 3 717.8438495 89503 303823152 823053 a-Alanine, conf. II
117699.2531 0.3587 -5.5334 3 113.8932201 89503 303331122 321319 a-Alanine, conf. II
117761.8551 2.6185 -5.3956 3 157.8720201 89503 3033328 5 3327 6 a-Alanine, conf. II
117761.8551 2.6185 -5.3956 3 157.8720201 89503 3033328 6 3327 7 a-Alanine, conf. II
117825.2612 0.6010 -5.4350 3 96.8063177 89503 303291613 291416 a-Alanine, conf. II
117922.0525 0.7044 -5.2633 3 136.5747213 89503 303351718 351521 a-Alanine, conf. II
117928.9768 2.6553 -5.4564 3 151.6514195 89503 3033228 4 3227 5 a-Alanine, conf. II
117928.9768 2.6553 -5.4564 3 151.6514195 89503 3033228 5 3227 6 a-Alanine, conf. II
117936.2153 1.8702 -5.3318 3 164.7514261 89503 30343 538 43 439 a-Alanine, conf. II
117936.2153 1.8702 -4.7349 3 164.7514261 89503 30343 538 43 539 a-Alanine, conf. II
117936.2153 1.8702 -4.7349 3 164.7514261 89503 30343 638 43 439 a-Alanine, conf. II
117936.2153 1.8702 -5.3318 3 164.7514261 89503 30343 638 43 539 a-Alanine, conf. II
117968.3031 1.1834 -4.6632 3 303.5940333 89503 303551441 551442 a-Alanine, conf. II
117968.3036 1.1834 -5.1805 3 303.5940333 89503 303551441 551342 a-Alanine, conf. II
117968.3117 1.1834 -5.1805 3 303.5940333 89503 303551541 551442 a-Alanine, conf. II
117968.3123 1.1834 -4.6632 3 303.5940333 89503 303551541 551342 a-Alanine, conf. II
117988.6362 5.6978 -4.7600 3 383.4634369 89503 303611843 611844 a-Alanine, conf. II
117988.7090 5.6977 -5.2357 3 383.4634369 89503 303611843 611744 a-Alanine, conf. II
117989.4540 5.6965 -5.2357 3 383.4634369 89503 303611943 611844 a-Alanine, conf. II
117989.5268 5.6964 -4.7600 3 383.4634369 89503 303611943 611744 a-Alanine, conf. II
118011.4078 22.9721 -5.0063 3 531.8099429 89503 303712447 712448 a-Alanine, conf. II
118026.1569 22.9146 -5.4124 3 531.8094429 89503 303712447 712348 a-Alanine, conf. II
118038.0092 70.7713 -5.7521 3 754.0988507 89503 303843253 843154 a-Alanine, conf. II
118079.3048 2.4442 -5.1553 3 269.2272285 89503 303472918 472819 a-Alanine, conf. II
118079.3048 2.4442 -5.1553 3 269.2272285 89503 303472919 472820 a-Alanine, conf. II
118080.8723 2.6914 -5.5350 3 145.6236189 89503 3033128 3 3127 4 a-Alanine, conf. II
118080.8723 2.6914 -5.5350 3 145.6236189 89503 3033128 4 3127 5 a-Alanine, conf. II
118097.7982 26.2222 -5.6384 3 685.0331477 89503 303793544 793445 a-Alanine, conf. II
118125.4050 22.5294 -5.4117 3 531.8099429 89503 303712547 712448 a-Alanine, conf. II
118140.1541 22.4719 -5.0054 3 531.8094429 89503 303712547 712348 a-Alanine, conf. II
118175.2556 0.0148 -3.6442 3 43.4683129 89503 30321 615 20 614 a-Alanine, conf. II
118179.6353 3.0016 -4.7042 3 342.5080351 89503 303581642 581643 a-Alanine, conf. II
118179.6423 3.0016 -5.2014 3 342.5080351 89503 303581642 581543 a-Alanine, conf. II
118179.7269 3.0015 -5.2014 3 342.5080351 89503 303581742 581643 a-Alanine, conf. II
118179.7340 3.0015 -4.7042 3 342.5080351 89503 303581742 581543 a-Alanine, conf. II
118218.5674 2.7269 -5.6419 3 139.7881183 89503 3033028 2 3027 3 a-Alanine, conf. II
118218.5674 2.7269 -5.6419 3 139.7881183 89503 3033028 3 3027 4 a-Alanine, conf. II
118282.6583 56.9978 -5.3688 3 717.8240495 89503 303823152 822953 a-Alanine, conf. II
118302.4498 2.7486 -5.1933 3 351.8644333 89503 303553025 552926 a-Alanine, conf. II
118302.4986 2.7485 -5.1933 3 351.8644333 89503 303553026 552927 a-Alanine, conf. II
118321.4910 1.2483 -5.2603 3 152.9176225 89503 303371820 371621 a-Alanine, conf. II
118343.0335 2.7617 -5.8000 3 134.1445177 89503 3032928 1 2927 2 a-Alanine, conf. II
118343.0335 2.7617 -5.8000 3 134.1445177 89503 3032928 2 2927 3 a-Alanine, conf. II
118355.9168 0.1904 -4.6560 3 68.2225129 89503 3032120 1 2020 0 a-Alanine, conf. II
118355.9168 0.1904 -4.6560 3 68.2225129 89503 3032120 2 2020 1 a-Alanine, conf. II
118426.8895 9.1382 -5.4429 3 559.6444429 89503 303713338 713239 a-Alanine, conf. II
118477.2214 0.1671 -4.3589 3 65.4214129 89503 3032119 2 2019 1 a-Alanine, conf. II
118477.2214 0.1671 -4.3589 3 65.4214129 89503 3032119 3 2019 2 a-Alanine, conf. II
118493.1332 0.1283 -4.9475 3 21.8622 81 89503 3031311 3 1210 2 a-Alanine, conf. II
118493.1461 0.1283 -4.9475 3 21.8622 81 89503 3031311 2 1210 3 a-Alanine, conf. II
118530.3732 0.2934 -5.7294 3 98.6783183 89503 303301417 291514 a-Alanine, conf. II
118550.4640 2.4704 -5.1555 3 260.2748279 89503 303462917 462818 a-Alanine, conf. II
118550.4640 2.4704 -5.1555 3 260.2748279 89503 303462918 462819 a-Alanine, conf. II
118558.3793127.3106 -5.5348 3 808.0035525 89503 303873255 873256 a-Alanine, conf. II
118558.8025 8.4456 -5.4419 3 559.6394429 89503 303713339 713240 a-Alanine, conf. II
118567.0545 0.0385 -4.7057 3 48.2276147 89503 30324 222 23 321 a-Alanine, conf. II
118567.0546 0.0385 -3.5536 3 48.2276147 89503 30324 322 23 321 a-Alanine, conf. II
118567.0547 0.0385 -3.5536 3 48.2276147 89503 30324 222 23 221 a-Alanine, conf. II
118567.0548 0.0385 -4.7057 3 48.2276147 89503 30324 322 23 221 a-Alanine, conf. II
118568.9918 0.8697 -5.2515 3 158.2248231 89503 303381721 381524 a-Alanine, conf. II
118572.6828 1.6374 -5.2158 3 207.2808285 89503 30347 839 47 740 a-Alanine, conf. II
118572.6828 1.6374 -4.6430 3 207.2808285 89503 30347 839 47 840 a-Alanine, conf. II
118572.6828 1.6374 -4.6430 3 207.2808285 89503 30347 939 47 740 a-Alanine, conf. II
118572.6828 1.6374 -5.2158 3 207.2808285 89503 30347 939 47 840 a-Alanine, conf. II
118586.2279 0.0356 -5.2337 3 26.4802 99 89503 30316 8 9 15 7 8 a-Alanine, conf. II
118605.6579 12.1187 -4.8669 3 454.8650399 89503 303662145 662146 a-Alanine, conf. II
118606.8365 12.1158 -5.3101 3 454.8650399 89503 303662145 662046 a-Alanine, conf. II
118607.4150 3.6144 -5.2625 3 423.2222369 89503 303613130 613031 a-Alanine, conf. II
118609.1560 3.6099 -5.2625 3 423.2222369 89503 303613131 613032 a-Alanine, conf. II
118616.6053 12.0905 -5.3100 3 454.8650399 89503 303662245 662146 a-Alanine, conf. II
118617.7839 12.0875 -4.8668 3 454.8650399 89503 303662245 662046 a-Alanine, conf. II
118620.0974 0.1449 -4.1873 3 62.7681129 89503 3032118 3 2018 2 a-Alanine, conf. II
118620.0974 0.1449 -4.1873 3 62.7681129 89503 3032118 4 2018 3 a-Alanine, conf. II
118622.8339 0.0444 -5.4966 3 14.3222 75 89503 30312 7 6 11 5 7 a-Alanine, conf. II
118623.4618 0.8544 -5.1758 3 253.5791309 89503 303511140 511041 a-Alanine, conf. II
118623.4618 0.8544 -4.6294 3 253.5791309 89503 303511140 511141 a-Alanine, conf. II
118623.4619 0.8544 -4.6294 3 253.5791309 89503 303511240 511041 a-Alanine, conf. II
118623.4619 0.8544 -5.1758 3 253.5791309 89503 303511240 511141 a-Alanine, conf. II
118628.4158 0.0169 -5.0316 3 43.4683129 89503 30321 715 20 614 a-Alanine, conf. II
118660.3744 0.0432 -3.6851 3 42.0640123 89503 30320 911 19 910 a-Alanine, conf. II
118664.9535 1.9487 -5.3985 3 153.7120255 89503 30342 438 42 339 a-Alanine, conf. II
118664.9535 1.9487 -4.7936 3 153.7120255 89503 30342 438 42 439 a-Alanine, conf. II
118664.9535 1.9487 -4.7936 3 153.7120255 89503 30342 538 42 339 a-Alanine, conf. II
118664.9535 1.9487 -5.3985 3 153.7120255 89503 30342 538 42 439 a-Alanine, conf. II
118678.5008 14.9212 -5.5333 3 620.6956453 89503 303753441 753342 a-Alanine, conf. II
118755.2849 0.0901 -5.3553 3 49.9172135 89503 30322 814 21 913 a-Alanine, conf. II
118763.3658 1.0200 -5.6488 3 131.6605213 89503 303351421 341618 a-Alanine, conf. II
118790.1337 0.1239 -4.0672 3 60.2636129 89503 3032117 4 2017 3 a-Alanine, conf. II
118790.1337 0.1239 -4.0672 3 60.2636129 89503 3032117 5 2017 4 a-Alanine, conf. II
118808.8782 28.3085 -5.0574 3 563.3115441 89503 303732548 732549 a-Alanine, conf. II
118834.0259 28.1941 -5.4531 3 563.3107441 89503 303732548 732449 a-Alanine, conf. II
118905.0428 58.0476 -5.4317 3 624.4833459 89503 303763146 762947 a-Alanine, conf. II
118929.6524 0.0170 -3.6505 3 40.5343123 89503 30320 713 19 712 a-Alanine, conf. II
118936.0807 54.8549 -5.3851 3 576.9944441 89503 303733044 732845 a-Alanine, conf. II
118937.3573 4.8791 -5.5993 3 794.9218519 89503 303863453 863254 a-Alanine, conf. II
118950.2787 0.0159 -4.9040 3 45.9845135 89503 30322 517 21 616 a-Alanine, conf. II
118951.9771 0.1506 -5.6553 3 72.1763159 89503 303261115 251214 a-Alanine, conf. II
118965.6573 0.0158 -3.6145 3 45.9845135 89503 30322 617 21 616 a-Alanine, conf. II
118965.9921 62.2597 -5.4387 3 754.0678507 89503 303843253 843054 a-Alanine, conf. II
118987.3634 2.5003 -5.1575 3 251.5214273 89503 303452916 452817 a-Alanine, conf. II
118987.3634 2.5003 -5.1575 3 251.5214273 89503 303452917 452818 a-Alanine, conf. II
118989.8052 0.0157 -3.6143 3 45.9832135 89503 30322 517 21 516 a-Alanine, conf. II
118994.6396 27.4734 -5.4519 3 563.3115441 89503 303732648 732549 a-Alanine, conf. II
118994.9938 0.1040 -3.9755 3 57.9090129 89503 3032116 5 2016 4 a-Alanine, conf. II
118994.9938 0.1040 -3.9755 3 57.9090129 89503 3032116 6 2016 5 a-Alanine, conf. II
118995.9746 5.3122 -5.3417 3 488.8897399 89503 303663234 663135 a-Alanine, conf. II
119005.1838 0.0156 -4.9036 3 45.9832135 89503 30322 617 21 516 a-Alanine, conf. II
119012.9900 5.2469 -5.3415 3 488.8890399 89503 303663235 663136 a-Alanine, conf. II
119019.7874 27.3590 -5.0559 3 563.3107441 89503 303732648 732449 a-Alanine, conf. II
119035.8079 35.7888 -5.5933 3 811.9582525 89503 303873454 873255 a-Alanine, conf. II
119047.4414 0.3859 -5.7497 3 106.5003189 89503 303311517 301614 a-Alanine, conf. II
119049.5400 2.7102 -5.1828 3 341.3196327 89503 303543024 542925 a-Alanine, conf. II
119049.5567 2.7101 -5.1828 3 341.3196327 89503 303543025 542926 a-Alanine, conf. II
119083.2238 12.2618 -5.5304 3 620.6797453 89503 303753442 753343 a-Alanine, conf. II
119117.7164 1.1316 -5.7060 3 142.9036225 89503 303371225 361422 a-Alanine, conf. II
119123.2721 22.0441 -5.7405 3 752.5606501 89503 303833648 833549 a-Alanine, conf. II
119233.3861 17.1827 -5.6302 3 684.9877477 89503 303793545 793446 a-Alanine, conf. II
119245.5188 0.0855 -3.9018 3 55.7058129 89503 3032115 7 2015 6 a-Alanine, conf. II
119245.5204 0.0855 -3.9018 3 55.7058129 89503 3032115 6 2015 5 a-Alanine, conf. II
119293.5640 58.3784 -5.4836 3 673.8122477 89503 303793248 793049 a-Alanine, conf. II
119299.2672 0.6167 -5.4829 3 91.1982171 89503 303281613 281414 a-Alanine, conf. II
119340.2028 1.9929 -5.4938 3 142.9087249 89503 30341 338 41 239 a-Alanine, conf. II
119340.2028 1.9929 -4.8813 3 142.9087249 89503 30341 338 41 339 a-Alanine, conf. II
119340.2028 1.9929 -4.8813 3 142.9087249 89503 30341 438 41 239 a-Alanine, conf. II
119340.2028 1.9929 -5.4938 3 142.9087249 89503 30341 438 41 339 a-Alanine, conf. II
119343.0208 49.5356 -5.3438 3 531.3509423 89503 303702942 702743 a-Alanine, conf. II
119365.4932 0.5967 -4.6452 3 289.7351327 89503 303541341 541342 a-Alanine, conf. II
119365.4933 0.5967 -5.1737 3 289.7351327 89503 303541341 541242 a-Alanine, conf. II
119365.4947 0.5967 -5.1737 3 289.7351327 89503 303541441 541342 a-Alanine, conf. II
119365.4948 0.5967 -4.6452 3 289.7351327 89503 303541441 541242 a-Alanine, conf. II
119367.8285 0.7872 -5.3240 3 123.1819201 89503 303331717 331518 a-Alanine, conf. II
119392.3220 2.5332 -5.1615 3 242.9665267 89503 303442915 442816 a-Alanine, conf. II
119392.3220 2.5332 -5.1615 3 242.9665267 89503 303442916 442817 a-Alanine, conf. II
119468.2769 34.7670 -5.1123 3 595.6813453 89503 303752649 752650 a-Alanine, conf. II
119475.9179 7.5423 -4.7899 3 410.5428381 89503 303631944 631945 a-Alanine, conf. II
119476.0592 7.5420 -5.2571 3 410.5428381 89503 303631944 631845 a-Alanine, conf. II
119476.1818 1.0909 -5.3438 3 148.9323225 89503 303371621 371424 a-Alanine, conf. II
119477.4257 7.5394 -5.2570 3 410.5428381 89503 303632044 631945 a-Alanine, conf. II
119477.5670 7.5391 -4.7899 3 410.5428381 89503 303632044 631845 a-Alanine, conf. II
119480.8600 1.8614 -5.2410 3 195.2842279 89503 30346 739 46 640 a-Alanine, conf. II
119480.8600 1.8614 -4.6594 3 195.2842279 89503 30346 739 46 740 a-Alanine, conf. II
119480.8600 1.8614 -4.6594 3 195.2842279 89503 30346 839 46 640 a-Alanine, conf. II
119480.8600 1.8614 -5.2410 3 195.2842279 89503 30346 839 46 740 a-Alanine, conf. II
119498.9284 0.3986 -5.7460 3 106.4998189 89503 303311516 301615 a-Alanine, conf. II
119510.5969 34.5441 -5.4972 3 595.6799453 89503 303752649 752550 a-Alanine, conf. II
119542.1876 0.4949 -5.7732 3 114.6604195 89503 303321617 311714 a-Alanine, conf. II
119542.2634 0.6141 -5.4814 3 91.1902171 89503 303281612 281415 a-Alanine, conf. II
119557.6700 0.0683 -3.8405 3 53.6562129 89503 3032114 8 2014 7 a-Alanine, conf. II
119557.7143 0.0683 -3.8405 3 53.6562129 89503 3032114 7 2014 6 a-Alanine, conf. II
119582.0822100.5583 -5.4510 3 770.4733513 89503 303853154 853155 a-Alanine, conf. II
119620.4338 3.4184 -5.2454 3 411.4708363 89503 303603129 603030 a-Alanine, conf. II
119621.1091 3.4168 -5.2454 3 411.4708363 89503 303603130 603031 a-Alanine, conf. II
119633.9147 0.7173 -5.2844 3 129.7395207 89503 303341717 341520 a-Alanine, conf. II
119671.8687 0.5008 -5.7721 3 114.6603195 89503 303321616 311715 a-Alanine, conf. II
119716.3026 35.9078 -5.7134 3 736.3916495 89503 303823646 823547 a-Alanine, conf. II
119743.3511 2.6886 -5.1736 3 330.9787321 89503 303533023 532924 a-Alanine, conf. II
119743.3566 2.6886 -5.1736 3 330.9787321 89503 303533024 532925 a-Alanine, conf. II
119745.6991 0.0888 -5.0059 3 22.9780 87 89503 3031410 5 13 9 4 a-Alanine, conf. II
119748.8515 0.0888 -5.0059 3 22.9779 87 89503 3031410 4 13 9 5 a-Alanine, conf. II
119749.2473 1.2532 -5.1815 3 240.6419303 89503 303501040 50 941 a-Alanine, conf. II
119749.2473 1.2532 -4.6252 3 240.6419303 89503 303501040 501041 a-Alanine, conf. II
119749.2473 1.2532 -4.6252 3 240.6419303 89503 303501140 50 941 a-Alanine, conf. II
119749.2473 1.2532 -5.1815 3 240.6419303 89503 303501140 501041 a-Alanine, conf. II
119767.1289 33.2231 -5.4953 3 595.6813453 89503 303752749 752650 a-Alanine, conf. II
119767.4595 2.5685 -5.1677 3 234.6093261 89503 303432914 432815 a-Alanine, conf. II
119767.4595 2.5685 -5.1677 3 234.6093261 89503 303432915 432816 a-Alanine, conf. II
119785.8172 1.9707 -4.6784 3 327.9591345 89503 303571542 571543 a-Alanine, conf. II
119785.8184 1.9707 -5.1879 3 327.9591345 89503 303571542 571443 a-Alanine, conf. II
119785.8352 1.9707 -5.1879 3 327.9591345 89503 303571642 571543 a-Alanine, conf. II
119785.8365 1.9707 -4.6784 3 327.9591345 89503 303571642 571443 a-Alanine, conf. II
119803.2217 15.2501 -4.9072 3 484.1658411 89503 303682246 682247 a-Alanine, conf. II
119805.3543 15.2437 -5.3412 3 484.1657411 89503 303682246 682147 a-Alanine, conf. II
119808.4824 65.1413 -5.5112 3 791.1599519 89503 303863354 863155 a-Alanine, conf. II
119809.4489 33.0004 -5.1099 3 595.6799453 89503 303752749 752550 a-Alanine, conf. II
119822.1208 15.1922 -5.3410 3 484.1658411 89503 303682346 682247 a-Alanine, conf. II
119824.2535 15.1858 -4.9071 3 484.1657411 89503 303682346 682147 a-Alanine, conf. II
119841.7311 4.2615 -4.7270 3 368.2343363 89503 303601743 601744 a-Alanine, conf. II
119841.7456 4.2614 -5.2161 3 368.2343363 89503 303601743 601644 a-Alanine, conf. II
119841.9100 4.2612 -5.2161 3 368.2343363 89503 303601843 601744 a-Alanine, conf. II
119841.9245 4.2612 -4.7270 3 368.2343363 89503 303601843 601644 a-Alanine, conf. II
119852.5936 0.2461 -5.3316 3 101.2139189 89503 303311120 301317 a-Alanine, conf. II
119925.5581 0.0392 -5.1197 3 19.5220 87 89503 30314 7 7 13 5 8 a-Alanine, conf. II
119955.9991 0.0527 -3.7883 3 51.7635129 89503 3032113 9 2013 8 a-Alanine, conf. II
119956.8993 0.0527 -3.7883 3 51.7635129 89503 3032113 8 2013 7 a-Alanine, conf. II
119965.8596 2.0063 -5.6409 3 132.3434243 89503 30340 238 40 139 a-Alanine, conf. II
119965.8596 2.0063 -5.0211 3 132.3434243 89503 30340 238 40 239 a-Alanine, conf. II
119965.8596 2.0063 -5.0211 3 132.3434243 89503 30340 338 40 139 a-Alanine, conf. II
119965.8596 2.0063 -5.6409 3 132.3434243 89503 30340 338 40 239 a-Alanine, conf. II
119967.7027 42.6521 -5.1710 3 628.9171465 89503 303772750 772751 a-Alanine, conf. II
119972.6124 0.3163 -5.7168 3 98.6761183 89503 303301416 291515 a-Alanine, conf. II
120024.3122 0.0717 -3.5181 3 49.8652153 89503 30325 124 24 123 a-Alanine, conf. II
120024.3122 0.0717 -4.6425 3 49.8652153 89503 30325 124 24 223 a-Alanine, conf. II
120024.3122 0.0717 -4.6425 3 49.8652153 89503 30325 224 24 123 a-Alanine, conf. II
120024.3122 0.0717 -3.5181 3 49.8652153 89503 30325 224 24 223 a-Alanine, conf. II
120038.0333 42.2261 -5.5447 3 628.9148465 89503 303772750 772651 a-Alanine, conf. II
120055.6237 42.8690 -5.3076 3 487.5589405 89503 303672840 672641 a-Alanine, conf. II
120058.7476 95.8107 -5.7725 3 770.4574513 89503 303853154 853055 a-Alanine, conf. II
120091.7295 7.7669 -5.4147 3 545.8563423 89503 303703337 703238 a-Alanine, conf. II
120114.7218 2.6055 -5.1762 3 226.4494255 89503 303422913 422814 a-Alanine, conf. II
120114.7218 2.6055 -5.1762 3 226.4494255 89503 303422914 422815 a-Alanine, conf. II
120119.8333 55.2117 -5.5407 3 724.9765495 89503 303823350 823151 a-Alanine, conf. II
120149.1230 80.2556 -5.3734 3 733.7971501 89503 303833053 833054 a-Alanine, conf. II
120151.8919 7.4631 -5.4143 3 545.8540423 89503 303703338 703239 a-Alanine, conf. II
120276.9447 4.7936 -5.3193 3 476.1265393 89503 303653233 653134 a-Alanine, conf. II
120277.2683 52.3979 -5.2339 3 663.0166477 89503 303792851 792852 a-Alanine, conf. II
120284.1157 4.7676 -5.3193 3 476.1262393 89503 303653234 653135 a-Alanine, conf. II
120310.3952 0.0182 -4.8065 3 48.2498141 89503 30323 419 22 518 a-Alanine, conf. II
120310.6927 0.0182 -3.5798 3 48.2498141 89503 30323 519 22 518 a-Alanine, conf. II
120311.2433 0.0182 -3.5798 3 48.2497141 89503 30323 419 22 418 a-Alanine, conf. II
120311.5408 0.0182 -4.8065 3 48.2497141 89503 30323 519 22 418 a-Alanine, conf. II
120323.3310 2.0376 -5.2759 3 183.5186273 89503 30345 639 45 540 a-Alanine, conf. II
120323.3310 2.0376 -4.6859 3 183.5186273 89503 30345 639 45 640 a-Alanine, conf. II
120323.3310 2.0376 -4.6859 3 183.5186273 89503 30345 739 45 540 a-Alanine, conf. II
120323.3310 2.0376 -5.2759 3 183.5186273 89503 30345 739 45 640 a-Alanine, conf. II
120338.4670234.7396 -5.7890 3 943.8924567 89503 303943559 943560 a-Alanine, conf. II
120356.1833 64.6310 -5.3012 3 697.9774489 89503 303812952 812953 a-Alanine, conf. II
120388.1198 2.6806 -5.1659 3 320.8406315 89503 303523022 522923 a-Alanine, conf. II
120388.1216 2.6806 -5.1659 3 320.8406315 89503 303523023 522924 a-Alanine, conf. II
120391.7149 0.0185 -3.6391 3 44.7009129 89503 30321 814 20 813 a-Alanine, conf. II
120392.7428 51.5988 -5.5958 3 663.0128477 89503 303792851 792752 a-Alanine, conf. II
120435.9028 2.6439 -5.1874 3 218.4861249 89503 303412912 412813 a-Alanine, conf. II
120435.9028 2.6439 -5.1874 3 218.4861249 89503 303412913 412814 a-Alanine, conf. II
120442.5048 39.8535 -5.5418 3 628.9171465 89503 303772850 772751 a-Alanine, conf. II
120449.6917 77.5890 -5.7094 3 733.7871501 89503 303833053 832954 a-Alanine, conf. II
120477.3753 0.0395 -3.7428 3 50.0325129 89503 303211210 2012 9 a-Alanine, conf. II
120491.0462 0.0397 -3.7427 3 50.0327129 89503 3032112 9 2012 8 a-Alanine, conf. II
120512.8353 39.4278 -5.1672 3 628.9148465 89503 303772850 772651 a-Alanine, conf. II
120543.5615 63.1585 -5.6506 3 697.9711489 89503 303812952 812853 a-Alanine, conf. II
120545.4301 1.9923 -5.2867 3 122.0174237 89503 30339 138 39 139 a-Alanine, conf. II
120545.4301 1.9923 -5.2867 3 122.0174237 89503 30339 238 39 039 a-Alanine, conf. II
120558.4972 3.2722 -5.2296 3 399.9273357 89503 303593128 593029 a-Alanine, conf. II
120558.7515 3.2716 -5.2296 3 399.9273357 89503 303593129 593030 a-Alanine, conf. II
120559.9300 0.2575 -5.3925 3 107.4319195 89503 303321121 311318 a-Alanine, conf. II
120656.2240 0.6212 -5.1705 3 276.0944321 89503 303531241 531142 a-Alanine, conf. II
120656.2240 0.6212 -4.6315 3 276.0944321 89503 303531241 531242 a-Alanine, conf. II
120656.2242 0.6212 -4.6315 3 276.0944321 89503 303531341 531142 a-Alanine, conf. II
120656.2242 0.6212 -5.1705 3 276.0944321 89503 303531341 531242 a-Alanine, conf. II
120686.2628 20.1295 -5.5993 3 669.5956471 89503 303783543 783444 a-Alanine, conf. II
120691.1195 0.0603 -5.0859 3 24.4795 93 89503 30315 9 7 14 8 6 a-Alanine, conf. II
120709.2525 12.0952 -5.5003 3 606.0888447 89503 303743440 743341 a-Alanine, conf. II
120724.7451 0.1698 -5.7163 3 89.5402177 89503 303291218 281315 a-Alanine, conf. II
120732.6629 2.6832 -5.2015 3 210.7190243 89503 303402911 402812 a-Alanine, conf. II
120732.6629 2.6832 -5.2015 3 210.7190243 89503 303402912 402813 a-Alanine, conf. II
120792.6844 1.6105 -5.1925 3 227.9298297 89503 30349 940 49 841 a-Alanine, conf. II
120792.6844 1.6105 -4.6268 3 227.9298297 89503 30349 940 49 941 a-Alanine, conf. II
120792.6844 1.6105 -4.6268 3 227.9298297 89503 303491040 49 841 a-Alanine, conf. II
120792.6844 1.6105 -5.1925 3 227.9298297 89503 303491040 49 941 a-Alanine, conf. II
120886.9281 1.9365 -5.2261 3 177.8500243 89503 303401922 401723 a-Alanine, conf. II
120888.5971 9.7775 -4.8235 3 438.5033393 89503 303652045 652046 a-Alanine, conf. II
120888.8660 9.7769 -5.2821 3 438.5033393 89503 303652045 651946 a-Alanine, conf. II
120891.3278 9.7711 -5.2820 3 438.5033393 89503 303652145 652046 a-Alanine, conf. II
120891.5967 9.7705 -4.8234 3 438.5033393 89503 303652145 651946 a-Alanine, conf. II
120903.2857 10.8522 -5.4990 3 606.0812447 89503 303743441 743342 a-Alanine, conf. II
120909.6115 18.9873 -4.9511 3 514.3415423 89503 303702347 702348 a-Alanine, conf. II
120913.4104 18.9737 -5.3757 3 514.3413423 89503 303702347 702248 a-Alanine, conf. II
120916.6704 0.0615 -5.0848 3 24.4734 93 89503 30315 9 6 14 8 7 a-Alanine, conf. II
120920.9988 63.7302 -5.5861 3 829.0957531 89503 303883455 883256 a-Alanine, conf. II
120941.7700 18.8713 -5.3755 3 514.3415423 89503 303702447 702348 a-Alanine, conf. II
120945.5689 18.8578 -4.9508 3 514.3413423 89503 303702447 702248 a-Alanine, conf. II
120974.2363 0.0371 -3.6379 3 41.2127123 89503 30320 812 19 811 a-Alanine, conf. II
120978.8132 35.6060 -5.2763 3 445.6250387 89503 303642738 642539 a-Alanine, conf. II
120987.3592 0.6318 -5.5347 3 85.7863165 89503 303271612 271413 a-Alanine, conf. II
120987.5906 2.6834 -5.1596 3 310.9046309 89503 303513021 512922 a-Alanine, conf. II
120987.5911 2.6834 -5.1596 3 310.9046309 89503 303513022 512923 a-Alanine, conf. II
121006.5440 2.7232 -5.2189 3 203.1475237 89503 303392910 392811 a-Alanine, conf. II
121006.5440 2.7232 -5.2189 3 203.1475237 89503 303392911 392812 a-Alanine, conf. II
121022.3090 47.4221 -5.5914 3 663.0166477 89503 303792951 792852 a-Alanine, conf. II
121079.1793 0.6309 -5.5341 3 85.7833165 89503 303271611 271414 a-Alanine, conf. II
121095.4827 0.0708 -5.7291 3 12.9966 69 89503 30311 8 3 10 6 4 a-Alanine, conf. II
121105.2894 2.1692 -5.3238 3 171.9858267 89503 30344 539 44 440 a-Alanine, conf. II
121105.2894 2.1692 -4.7257 3 171.9858267 89503 30344 539 44 540 a-Alanine, conf. II
121105.2894 2.1692 -4.7257 3 171.9858267 89503 30344 639 44 440 a-Alanine, conf. II
121105.2894 2.1692 -5.3238 3 171.9858267 89503 30344 639 44 540 a-Alanine, conf. II
121137.7836 46.6235 -5.2279 3 663.0128477 89503 303792951 792752 a-Alanine, conf. II
121149.3715 0.0302 -3.7023 3 48.4703129 89503 303211111 201110 a-Alanine, conf. II
121217.1864 0.0371 -5.2468 3 29.6737105 89503 30317 810 16 7 9 a-Alanine, conf. II
121258.9831 2.7635 -5.2404 3 195.7711231 89503 3033829 9 382810 a-Alanine, conf. II
121258.9831 2.7635 -5.2404 3 195.7711231 89503 303382910 382811 a-Alanine, conf. II
121259.3378 15.6193 -5.5952 3 669.5729471 89503 303783544 783445 a-Alanine, conf. II
121265.3032 1.1085 -4.6567 3 313.6233339 89503 303561442 561443 a-Alanine, conf. II
121265.3034 1.1085 -5.1775 3 313.6233339 89503 303561442 561343 a-Alanine, conf. II
121265.3065 1.1085 -5.1775 3 313.6233339 89503 303561542 561443 a-Alanine, conf. II
121265.3067 1.1085 -4.6567 3 313.6233339 89503 303561542 561343 a-Alanine, conf. II
121266.7590 21.3656 -5.7024 3 736.3291495 89503 303823647 823548 a-Alanine, conf. II
121299.9217 0.0318 -3.7012 3 48.4730129 89503 303211110 2011 9 a-Alanine, conf. II
121376.1776 0.0714 -5.7281 3 12.9871 69 89503 30311 8 4 10 6 5 a-Alanine, conf. II
121380.1240 48.0398 -5.6031 3 777.9718513 89503 303853452 853253 a-Alanine, conf. II
121427.6620 1.5226 -5.6906 3 147.5039225 89503 303371522 361719 a-Alanine, conf. II
121428.7925 3.1650 -5.2152 3 388.5907351 89503 303583127 583028 a-Alanine, conf. II
121428.8854 3.1648 -5.2152 3 388.5906351 89503 303583128 583029 a-Alanine, conf. II
121436.3498 5.8226 -4.7538 3 394.8454375 89503 303621844 621845 a-Alanine, conf. II
121436.3791 5.8226 -5.2347 3 394.8454375 89503 303621844 621745 a-Alanine, conf. II
121436.6917 5.8220 -5.2347 3 394.8454375 89503 303621944 621845 a-Alanine, conf. II
121436.7210 5.8220 -4.7538 3 394.8454375 89503 303621944 621745 a-Alanine, conf. II
121455.6600 4.3987 -5.2984 3 463.5753387 89503 303643232 643133 a-Alanine, conf. II
121458.5985 4.3887 -5.2984 3 463.5752387 89503 303643233 643134 a-Alanine, conf. II
121482.1462 0.1278 -3.4835 3 51.3219159 89503 30326 026 25 025 a-Alanine, conf. II
121482.1462 0.1278 -4.5856 3 51.3219159 89503 30326 026 25 125 a-Alanine, conf. II
121482.1462 0.1278 -4.5856 3 51.3219159 89503 30326 126 25 025 a-Alanine, conf. II
121482.1462 0.1278 -3.4835 3 51.3219159 89503 30326 126 25 125 a-Alanine, conf. II
121491.3235 2.8040 -5.2665 3 188.5893225 89503 3033729 8 3728 9 a-Alanine, conf. II
121491.3235 2.8040 -5.2665 3 188.5893225 89503 3033729 9 372810 a-Alanine, conf. II
121510.8173 55.9533 -5.6439 3 697.9774489 89503 303813052 812953 a-Alanine, conf. II
121540.8178 3.0038 -4.6979 3 353.2126357 89503 303591643 591644 a-Alanine, conf. II
121540.8206 3.0038 -5.1995 3 353.2126357 89503 303591643 591544 a-Alanine, conf. II
121540.8545 3.0038 -5.1995 3 353.2126357 89503 303591743 591644 a-Alanine, conf. II
121540.8572 3.0038 -4.6979 3 353.2126357 89503 303591743 591544 a-Alanine, conf. II
121545.0978 2.6950 -5.1547 3 301.1698303 89503 303503020 502921 a-Alanine, conf. II
121545.0980 2.6950 -5.1547 3 301.1698303 89503 303503021 502922 a-Alanine, conf. II
121596.9664 6.7629 -5.3885 3 532.2861417 89503 303693336 693237 a-Alanine, conf. II
121602.4090 0.9970 -5.7607 3 187.6247255 89503 303421627 411824 a-Alanine, conf. II
121612.4597 15.7118 -5.6678 3 850.2867537 89503 303893555 893356 a-Alanine, conf. II
121622.9512 0.7240 -5.3108 3 123.1078201 89503 303331716 331519 a-Alanine, conf. II
121623.6407 6.6341 -5.3883 3 532.2851417 89503 303693337 693238 a-Alanine, conf. II
121698.1955 54.4818 -5.2920 3 697.9711489 89503 303813052 812853 a-Alanine, conf. II
121704.8246 2.8443 -5.2982 3 181.6018219 89503 3033629 7 3628 8 a-Alanine, conf. II
121704.8246 2.8443 -5.2982 3 181.6018219 89503 3033629 8 3628 9 a-Alanine, conf. II
121727.3131 0.0273 -4.7274 3 50.3118147 89503 30324 321 23 420 a-Alanine, conf. II
121727.3166 0.0273 -3.5448 3 50.3118147 89503 30324 421 23 420 a-Alanine, conf. II
121727.3238 0.0273 -3.5448 3 50.3118147 89503 30324 321 23 320 a-Alanine, conf. II
121727.3273 0.0273 -4.7274 3 50.3118147 89503 30324 421 23 320 a-Alanine, conf. II
121750.7544 0.2513 -5.6791 3 91.1902177 89503 303291316 281415 a-Alanine, conf. II
121761.0513 1.9133 -5.2097 3 215.4449291 89503 30348 840 48 741 a-Alanine, conf. II
121761.0513 1.9133 -4.6351 3 215.4449291 89503 30348 840 48 841 a-Alanine, conf. II
121761.0513 1.9133 -4.6351 3 215.4449291 89503 30348 940 48 741 a-Alanine, conf. II
121761.0513 1.9133 -5.2097 3 215.4449291 89503 30348 940 48 841 a-Alanine, conf. II
121779.0447 0.4015 -5.3749 3 108.7649195 89503 303321220 311417 a-Alanine, conf. II
121821.6296 0.0260 -3.6675 3 47.0831129 89503 303211012 201011 a-Alanine, conf. II
121831.3271 2.2598 -5.3901 3 160.6876261 89503 30343 439 43 340 a-Alanine, conf. II
121831.3271 2.2598 -4.7843 3 160.6876261 89503 30343 439 43 440 a-Alanine, conf. II
121831.3271 2.2598 -4.7843 3 160.6876261 89503 30343 539 43 340 a-Alanine, conf. II
121831.3271 2.2598 -5.3901 3 160.6876261 89503 30343 539 43 440 a-Alanine, conf. II
121834.7229 0.0232 -3.6439 3 45.8533129 89503 30321 913 20 912 a-Alanine, conf. II
121851.3515 1.0549 -5.1714 3 262.6744315 89503 303521141 521042 a-Alanine, conf. II
121851.3515 1.0549 -4.6224 3 262.6744315 89503 303521141 521142 a-Alanine, conf. II
121851.3515 1.0549 -4.6224 3 262.6744315 89503 303521241 521042 a-Alanine, conf. II
121851.3515 1.0549 -5.1714 3 262.6744315 89503 303521241 521142 a-Alanine, conf. II
121900.6700 2.8844 -5.3371 3 174.8080213 89503 3033529 6 3528 7 a-Alanine, conf. II
121900.6700 2.8844 -5.3371 3 174.8080213 89503 3033529 7 3528 8 a-Alanine, conf. II
121916.0151 65.4180 -5.6992 3 733.7971501 89503 303833153 833054 a-Alanine, conf. II
121918.5415 23.4363 -4.9985 3 545.3900435 89503 303722448 722449 a-Alanine, conf. II
121925.2101 23.4083 -5.4135 3 545.3898435 89503 303722448 722349 a-Alanine, conf. II
121972.5162 23.2091 -5.4131 3 545.3900435 89503 303722548 722449 a-Alanine, conf. II
121979.1847 23.1811 -4.9981 3 545.3898435 89503 303722548 722349 a-Alanine, conf. II
121996.9946 28.3971 -5.2498 3 405.5561369 89503 303612636 612437 a-Alanine, conf. II
122063.6307 2.7137 -5.1514 3 291.6356297 89503 303493019 492920 a-Alanine, conf. II
122063.6307 2.7137 -5.1514 3 291.6356297 89503 303493020 492921 a-Alanine, conf. II
122067.9054 0.0178 -4.9649 3 47.4254135 89503 30322 616 21 715 a-Alanine, conf. II
122079.9750 2.9242 -5.3852 3 168.2076207 89503 3033429 5 3428 6 a-Alanine, conf. II
122079.9750 2.9242 -5.3852 3 168.2076207 89503 3033429 6 3428 7 a-Alanine, conf. II
122216.5839 62.7533 -5.3592 3 733.7871501 89503 303833153 832954 a-Alanine, conf. II
122223.9839 12.4638 -4.8607 3 467.3428405 89503 303672146 672147 a-Alanine, conf. II
122224.4864 12.4625 -5.3106 3 467.3428405 89503 303672146 672047 a-Alanine, conf. II
122228.8483 12.4503 -5.3105 3 467.3428405 89503 303672246 672147 a-Alanine, conf. II
122229.3508 12.4489 -4.8606 3 467.3428405 89503 303672246 672047 a-Alanine, conf. II
122237.3965 3.0885 -5.2020 3 377.4596345 89503 303573126 573027 a-Alanine, conf. II
122237.4295 3.0885 -5.2020 3 377.4596345 89503 303573127 573028 a-Alanine, conf. II
122243.7925 2.9634 -5.4457 3 161.8001201 89503 3033329 4 3328 5 a-Alanine, conf. II
122243.7925 2.9634 -5.4457 3 161.8001201 89503 3033329 5 3328 6 a-Alanine, conf. II
122250.6725 75.7062 -5.7573 3 770.4733513 89503 303853254 853155 a-Alanine, conf. II
122264.3746 0.0159 -3.6013 3 47.4254135 89503 30322 716 21 715 a-Alanine, conf. II
122384.2317183.8240 -5.6896 3 903.3933555 89503 303923458 923459 a-Alanine, conf. II
122393.1190 3.0020 -5.5241 3 155.5851195 89503 3033229 3 3228 4 a-Alanine, conf. II
122393.1190 3.0020 -5.5241 3 155.5851195 89503 3033229 4 3228 5 a-Alanine, conf. II
122398.2962 0.6511 -5.5942 3 80.5852159 89503 303261611 261412 a-Alanine, conf. II
122430.7443 0.6508 -5.5939 3 80.5841159 89503 303261610 261413 a-Alanine, conf. II
122447.8297 55.3242 -5.6629 3 867.8696543 89503 303903556 903357 a-Alanine, conf. II
122505.5343 2.3129 -5.4850 3 149.6256255 89503 30342 339 42 240 a-Alanine, conf. II
122505.5343 2.3129 -4.8718 3 149.6256255 89503 30342 339 42 340 a-Alanine, conf. II
122505.5343 2.3129 -4.8718 3 149.6256255 89503 30342 439 42 240 a-Alanine, conf. II
122505.5343 2.3129 -5.4850 3 149.6256255 89503 30342 439 42 340 a-Alanine, conf. II
122505.7651 10.1191 -5.4698 3 591.7054441 89503 303733439 733340 a-Alanine, conf. II
122521.0656 0.0152 -3.5992 3 47.4102135 89503 30322 616 21 615 a-Alanine, conf. II
122528.8989 3.0400 -5.6308 3 149.5624189 89503 3033129 2 3128 3 a-Alanine, conf. II
122528.8989 3.0400 -5.6308 3 149.5624189 89503 3033129 3 3128 4 a-Alanine, conf. II
122544.5981 4.0964 -5.2790 3 451.2345381 89503 303633231 633132 a-Alanine, conf. II
122545.7689 4.0927 -5.2790 3 451.2345381 89503 303633232 633133 a-Alanine, conf. II
122545.8849 2.7381 -5.1497 3 282.3012291 89503 303483018 482919 a-Alanine, conf. II
122545.8849 2.7381 -5.1497 3 282.3012291 89503 303483019 482920 a-Alanine, conf. II
122574.2285 27.1615 -5.6711 3 720.3511489 89503 303813645 813546 a-Alanine, conf. II
122596.1205 9.5584 -5.4692 3 591.7020441 89503 303733440 733341 a-Alanine, conf. II
122625.5952 0.7559 -5.3481 3 116.7183195 89503 303321716 321517 a-Alanine, conf. II
122632.3666 0.5665 -5.1706 3 299.5034333 89503 303551342 551243 a-Alanine, conf. II
122632.3666 0.5665 -4.6389 3 299.5034333 89503 303551342 551343 a-Alanine, conf. II
122632.3672 0.5665 -4.6389 3 299.5034333 89503 303551442 551243 a-Alanine, conf. II
122632.3672 0.5665 -5.1706 3 299.5034333 89503 303551442 551343 a-Alanine, conf. II
122660.6455 2.1614 -5.2345 3 203.1893285 89503 30347 740 47 641 a-Alanine, conf. II
122660.6455 2.1614 -4.6515 3 203.1893285 89503 30347 740 47 741 a-Alanine, conf. II
122660.6455 2.1614 -4.6515 3 203.1893285 89503 30347 840 47 641 a-Alanine, conf. II
122660.6455 2.1614 -5.2345 3 203.1893285 89503 30347 840 47 741 a-Alanine, conf. II
122669.0480 1.3490 -5.2808 3 165.7922237 89503 303391722 391525 a-Alanine, conf. II
122717.5349 0.0153 -4.9596 3 47.4102135 89503 30322 716 21 615 a-Alanine, conf. II
122719.8883 0.0375 -5.6001 3 14.8669 81 89503 30313 4 9 12 210 a-Alanine, conf. II
122725.0448 3.0965 -5.2049 3 204.6873261 89503 303432024 431825 a-Alanine, conf. II
122727.3379 70.9625 -5.4296 3 770.4574513 89503 303853254 853055 a-Alanine, conf. II
122813.1751 0.1748 -4.8705 3 23.3637 81 89503 3031312 2 1211 1 a-Alanine, conf. II
122813.1752 0.1748 -4.8705 3 23.3637 81 89503 3031312 1 1211 2 a-Alanine, conf. II
122821.9471 28.7300 -5.0494 3 577.3094447 89503 303742549 742550 a-Alanine, conf. II
122833.4921 28.6735 -5.4546 3 577.3090447 89503 303742549 742450 a-Alanine, conf. II
122850.4574 0.0400 -5.4257 3 15.7892 81 89503 30313 6 8 12 4 9 a-Alanine, conf. II
122865.5160 0.0432 -5.2490 3 33.0946111 89503 30318 811 17 710 a-Alanine, conf. II
122871.9023 0.8288 -5.2057 3 167.7495237 89503 303391821 391624 a-Alanine, conf. II
122897.1527 16.0556 -5.5637 3 654.3906465 89503 303773542 773443 a-Alanine, conf. II
122911.3576 28.2942 -5.4540 3 577.3094447 89503 303742649 742550 a-Alanine, conf. II
122922.3453 0.0366 -3.6591 3 47.1100129 89503 303211011 201010 a-Alanine, conf. II
122922.9026 28.2378 -5.0487 3 577.3090447 89503 303742649 742450 a-Alanine, conf. II
122960.0111 1.5003 -5.1768 3 249.4776309 89503 303511041 51 942 a-Alanine, conf. II
122960.0111 1.5003 -4.6183 3 249.4776309 89503 303511041 511042 a-Alanine, conf. II
122960.0111 1.5003 -4.6183 3 249.4776309 89503 303511141 51 942 a-Alanine, conf. II
122960.0111 1.5003 -5.1768 3 249.4776309 89503 303511141 511042 a-Alanine, conf. II
122961.7818 7.7307 -4.7843 3 422.3396387 89503 303641945 641946 a-Alanine, conf. II
122961.8395 7.7306 -5.2571 3 422.3395387 89503 303641945 641846 a-Alanine, conf. II
122962.4223 7.7294 -5.2571 3 422.3396387 89503 303642045 641946 a-Alanine, conf. II
122962.4801 7.7293 -4.7843 3 422.3395387 89503 303642045 641846 a-Alanine, conf. II
122971.4510 6.0071 -5.3638 3 518.9311411 89503 303683335 683236 a-Alanine, conf. II
122980.1477 21.7422 -5.2279 3 367.3594351 89503 303582534 582335 a-Alanine, conf. II
122982.9555 5.9543 -5.3638 3 518.9307411 89503 303683336 683237 a-Alanine, conf. II
122989.5362 3.0366 -5.1902 3 366.5332339 89503 303563125 563026 a-Alanine, conf. II
122989.5475 3.0366 -5.1902 3 366.5332339 89503 303563126 563027 a-Alanine, conf. II
122994.3044 2.7671 -5.1498 3 273.1659285 89503 303473017 472918 a-Alanine, conf. II
122994.3044 2.7671 -5.1498 3 273.1659285 89503 303473018 472919 a-Alanine, conf. II
123038.9952 0.0165 -3.6121 3 44.5014129 89503 30321 714 20 713 a-Alanine, conf. II
123053.8268 36.4970 -5.6707 3 832.7943531 89503 303883554 883355 a-Alanine, conf. II
123105.4572 1.9134 -4.6727 3 338.4016351 89503 303581543 581544 a-Alanine, conf. II
123105.4577 1.9134 -5.1860 3 338.4016351 89503 303581543 581444 a-Alanine, conf. II
123105.4642 1.9134 -5.1860 3 338.4016351 89503 303581643 581544 a-Alanine, conf. II
123105.4647 1.9134 -4.6727 3 338.4016351 89503 303581643 581444 a-Alanine, conf. II
123131.5798 2.3323 -5.6318 3 138.8015249 89503 30341 239 41 140 a-Alanine, conf. II
123131.5798 2.3323 -5.0115 3 138.8015249 89503 30341 239 41 240 a-Alanine, conf. II
123131.5798 2.3323 -5.0115 3 138.8015249 89503 30341 339 41 140 a-Alanine, conf. II
123131.5798 2.3323 -5.6318 3 138.8015249 89503 30341 339 41 240 a-Alanine, conf. II
123174.1882 0.0501 -3.5102 3 52.1826153 89503 30325 223 24 222 a-Alanine, conf. II
123174.1882 0.0501 -4.6594 3 52.1826153 89503 30325 223 24 322 a-Alanine, conf. II
123174.1882 0.0501 -3.5102 3 52.1826153 89503 30325 323 24 322 a-Alanine, conf. II
123174.1883 0.0501 -4.6594 3 52.1826153 89503 30325 323 24 222 a-Alanine, conf. II
123177.4264 13.8919 -5.5617 3 654.3796465 89503 303773543 773444 a-Alanine, conf. II
123232.1438 4.3097 -4.7216 3 379.3528369 89503 303611744 611745 a-Alanine, conf. II
123232.1495 4.3097 -5.2153 3 379.3528369 89503 303611744 611645 a-Alanine, conf. II
123232.2166 4.3096 -5.2153 3 379.3528369 89503 303611844 611745 a-Alanine, conf. II
123232.2222 4.3096 -4.7216 3 379.3528369 89503 303611844 611645 a-Alanine, conf. II
123280.7762 78.2957 -5.5028 3 807.9786525 89503 303873355 873156 a-Alanine, conf. II
123372.4365 19.7131 -5.6655 3 720.3194489 89503 303813646 813547 a-Alanine, conf. II
123411.1166 2.7999 -5.1516 3 264.2292279 89503 303463016 462917 a-Alanine, conf. II
123411.1166 2.7999 -5.1516 3 264.2292279 89503 303463017 462918 a-Alanine, conf. II
123478.9070 15.6710 -4.9014 3 497.0596417 89503 303692247 692248 a-Alanine, conf. II
123479.8304 15.6681 -5.3425 3 497.0595417 89503 303692247 692148 a-Alanine, conf. II
123487.4391 15.6428 -5.3424 3 497.0596417 89503 303692347 692248 a-Alanine, conf. II
123488.3625 15.6398 -4.9013 3 497.0595417 89503 303692347 692148 a-Alanine, conf. II
123496.9672 2.3576 -5.2691 3 191.1648279 89503 30346 640 46 541 a-Alanine, conf. II
123496.9672 2.3576 -4.6779 3 191.1648279 89503 30346 640 46 641 a-Alanine, conf. II
123496.9672 2.3576 -4.6779 3 191.1648279 89503 30346 740 46 541 a-Alanine, conf. II
123496.9672 2.3576 -5.2691 3 191.1648279 89503 30346 740 46 641 a-Alanine, conf. II
123544.6859 0.0168 -4.8440 3 49.9528141 89503 30323 518 22 617 a-Alanine, conf. II
123545.1610 0.8372 -5.2123 3 160.1268231 89503 303381820 381623 a-Alanine, conf. II
123550.5215 0.0168 -3.5688 3 49.9528141 89503 30323 618 22 617 a-Alanine, conf. II
123553.5193 3.8654 -5.2608 3 439.1027375 89503 303623230 623131 a-Alanine, conf. II
123553.9728 3.8640 -5.2608 3 439.1027375 89503 303623231 623132 a-Alanine, conf. II
123560.0645 0.0168 -3.5688 3 49.9523141 89503 30323 518 22 517 a-Alanine, conf. II
123565.9001 0.0167 -4.8439 3 49.9523141 89503 30323 618 22 517 a-Alanine, conf. II
123597.6820 0.6731 -5.6618 3 75.5914153 89503 303251610 251411 a-Alanine, conf. II
123598.0816 1.0670 -5.2641 3 145.5831219 89503 303361819 361620 a-Alanine, conf. II
123608.3773 0.6730 -5.6617 3 75.5911153 89503 3032516 9 251412 a-Alanine, conf. II
123609.2786 35.0403 -5.1038 3 610.0975459 89503 303762650 762651 a-Alanine, conf. II
123621.6064 0.9940 -5.2099 3 175.5558243 89503 303401822 401625 a-Alanine, conf. II
123625.5382 0.0375 -5.0816 3 48.7167135 89503 30322 715 21 814 a-Alanine, conf. II
123629.0052 34.9285 -5.4989 3 610.0968459 89503 303762650 762551 a-Alanine, conf. II
123653.5731 0.7295 -5.3419 3 116.6844195 89503 303321715 321518 a-Alanine, conf. II
123659.8572 2.1776 -5.7312 3 164.2478237 89503 303391623 381820 a-Alanine, conf. II
123689.7650 3.0043 -5.1797 3 355.8105333 89503 303553124 553025 a-Alanine, conf. II
123689.7688 3.0042 -5.1797 3 355.8105333 89503 303553125 553026 a-Alanine, conf. II
123712.7755 2.3214 -5.2769 3 128.2168243 89503 30340 139 40 140 a-Alanine, conf. II
123712.7755 2.3214 -5.2769 3 128.2168243 89503 30340 239 40 040 a-Alanine, conf. II
123755.5310 34.2208 -5.4980 3 610.0975459 89503 303762750 762651 a-Alanine, conf. II
123771.8026145.3979 -5.5979 3 863.7410543 89503 303903357 903358 a-Alanine, conf. II
123775.2576 34.1091 -5.1027 3 610.0968459 89503 303762750 762551 a-Alanine, conf. II
123790.8386 15.9694 -5.2108 3 331.0419333 89503 303552432 552233 a-Alanine, conf. II
123798.3603 2.8355 -5.1554 3 255.4904273 89503 303453015 452916 a-Alanine, conf. II
123798.3603 2.8355 -5.1554 3 255.4904273 89503 303453016 452917 a-Alanine, conf. II
123804.1420 0.0565 -5.2259 3 26.3521 99 89503 30316 8 8 15 7 9 a-Alanine, conf. II
123860.6318 4.9185 -5.1946 3 233.4285279 89503 303462126 461927 a-Alanine, conf. II
123898.7621 0.7804 -5.1672 3 285.6023327 89503 303541242 541143 a-Alanine, conf. II
123898.7621 0.7804 -4.6254 3 285.6023327 89503 303541242 541243 a-Alanine, conf. II
123898.7622 0.7804 -4.6254 3 285.6023327 89503 303541342 541143 a-Alanine, conf. II
123898.7622 0.7804 -5.1672 3 285.6023327 89503 303541342 541243 a-Alanine, conf. II
123920.7251 0.0491 -5.2273 3 36.7234117 89503 30319 812 18 711 a-Alanine, conf. II
123947.9778 83.4512 -5.5788 3 846.3468537 89503 303893456 893257 a-Alanine, conf. II
123981.1477 0.2212 -4.6297 3 75.1154135 89503 3032221 1 2121 0 a-Alanine, conf. II
123981.1477 0.2212 -4.6297 3 75.1154135 89503 3032221 2 2121 1 a-Alanine, conf. II
123989.9874 1.8933 -5.1875 3 236.5061303 89503 30350 941 50 842 a-Alanine, conf. II
123989.9874 1.8933 -4.6199 3 236.5061303 89503 30350 941 50 942 a-Alanine, conf. II
123989.9874 1.8933 -4.6199 3 236.5061303 89503 303501041 50 842 a-Alanine, conf. II
123989.9874 1.8933 -5.1875 3 236.5061303 89503 303501041 50 942 a-Alanine, conf. II
124008.9633 0.1363 -5.5234 3 65.8688153 89503 303251015 241114 a-Alanine, conf. II
124078.1196 0.1711 -5.7450 3 95.2514183 89503 303301219 291316 a-Alanine, conf. II
124100.9480 0.1954 -4.3319 3 72.1705135 89503 3032220 2 2120 1 a-Alanine, conf. II
124100.9480 0.1954 -4.3319 3 72.1705135 89503 3032220 3 2120 2 a-Alanine, conf. II
124106.5026 0.1245 -4.9210 3 24.3196 87 89503 3031411 4 1310 3 a-Alanine, conf. II
124106.5997 0.1245 -4.9210 3 24.3196 87 89503 3031411 3 1310 4 a-Alanine, conf. II
124122.5794 8.6828 -5.4413 3 577.5417435 89503 303723438 723339 a-Alanine, conf. II
124157.9102 2.8735 -5.1614 3 246.9489267 89503 303443014 442915 a-Alanine, conf. II
124157.9102 2.8735 -5.1614 3 246.9489267 89503 303443015 442916 a-Alanine, conf. II
124163.4982 8.4382 -5.4410 3 577.5402435 89503 303723439 723340 a-Alanine, conf. II
124171.1133 1.3442 -5.7528 3 195.8422261 89503 303431628 421825 a-Alanine, conf. II
124188.9175 0.2194 -5.6637 3 96.8262183 89503 303301318 291415 a-Alanine, conf. II
124235.0182 5.4276 -5.3407 3 505.7893405 89503 303673334 673235 a-Alanine, conf. II
124239.8466 5.4066 -5.3407 3 505.7891405 89503 303673335 673236 a-Alanine, conf. II
124240.8969 0.1709 -4.1595 3 69.3733135 89503 3032219 3 2119 2 a-Alanine, conf. II
124240.8969 0.1709 -4.1595 3 69.3733135 89503 3032219 4 2119 3 a-Alanine, conf. II
124266.4973 42.5969 -5.1619 3 643.7519471 89503 303782751 782752 a-Alanine, conf. II
124274.8619 2.5057 -5.3166 3 179.3732273 89503 30345 540 45 441 a-Alanine, conf. II
124274.8619 2.5057 -4.7176 3 179.3732273 89503 30345 540 45 541 a-Alanine, conf. II
124274.8619 2.5057 -4.7176 3 179.3732273 89503 30345 640 45 441 a-Alanine, conf. II
124274.8619 2.5057 -5.3166 3 179.3732273 89503 30345 640 45 541 a-Alanine, conf. II
124291.6369 11.2420 -5.1990 3 296.6104315 89503 303522330 522131 a-Alanine, conf. II
124299.7842 42.3801 -5.5466 3 643.7508471 89503 303782751 782652 a-Alanine, conf. II
124333.5068 36.6139 -5.7487 3 772.9596507 89503 303843747 843648 a-Alanine, conf. II
124342.0895 2.9877 -5.1706 3 345.2907327 89503 303543123 543024 a-Alanine, conf. II
124342.0907 2.9877 -5.1706 3 345.2907327 89503 303543124 543025 a-Alanine, conf. II
124352.8526 7.5847 -5.1931 3 264.0708297 89503 303492228 492029 a-Alanine, conf. II
124405.8987 0.1475 -4.0386 3 66.7248135 89503 3032218 4 2118 3 a-Alanine, conf. II
124405.8987 0.1475 -4.0386 3 66.7248135 89503 3032218 5 2118 4 a-Alanine, conf. II
124416.0722 10.0381 -4.8185 3 450.7149399 89503 303662046 662047 a-Alanine, conf. II
124416.1838 10.0379 -5.2830 3 450.7149399 89503 303662046 661947 a-Alanine, conf. II
124417.2508 10.0352 -5.2830 3 450.7149399 89503 303662146 662047 a-Alanine, conf. II
124417.3625 10.0349 -4.8185 3 450.7149399 89503 303662146 661947 a-Alanine, conf. II
124490.3576 3.6900 -5.2440 3 427.1785369 89503 303613229 613130 a-Alanine, conf. II
124490.5284 3.6896 -5.2440 3 427.1785369 89503 303613230 613131 a-Alanine, conf. II
124491.4967 2.9132 -5.1696 3 238.6043261 89503 303433013 432914 a-Alanine, conf. II
124491.4967 2.9132 -5.1696 3 238.6043261 89503 303433014 432915 a-Alanine, conf. II
124502.8137 41.0848 -5.5452 3 643.7519471 89503 303782851 782752 a-Alanine, conf. II
124536.1006 40.8679 -5.1601 3 643.7508471 89503 303782851 782652 a-Alanine, conf. II
124551.2570 1.0157 -4.6513 3 323.8045345 89503 303571443 571444 a-Alanine, conf. II
124551.2571 1.0157 -5.1755 3 323.8045345 89503 303571443 571344 a-Alanine, conf. II
124551.2582 1.0157 -5.1755 3 323.8045345 89503 303571543 571444 a-Alanine, conf. II
124551.2583 1.0157 -4.6513 3 323.8045345 89503 303571543 571344 a-Alanine, conf. II
124570.3042 36.3603 -5.7414 3 907.4756555 89503 303923657 923458 a-Alanine, conf. II
124602.5550 0.1254 -3.9461 3 64.2260135 89503 3032217 5 2117 4 a-Alanine, conf. II
124602.5550 0.1254 -3.9461 3 64.2260135 89503 3032217 6 2117 5 a-Alanine, conf. II
124626.3776 0.6966 -5.7386 3 70.8023147 89503 3032416 9 241410 a-Alanine, conf. II
124629.6515 0.6966 -5.7386 3 70.8022147 89503 3032416 8 241411 a-Alanine, conf. II
124630.5412 0.0925 -3.4763 3 53.8688159 89503 30326 125 25 124 a-Alanine, conf. II
124630.5412 0.0925 -4.5993 3 53.8688159 89503 30326 125 25 224 a-Alanine, conf. II
124630.5412 0.0925 -4.5993 3 53.8688159 89503 30326 225 25 124 a-Alanine, conf. II
124630.5412 0.0925 -3.4763 3 53.8688159 89503 30326 225 25 224 a-Alanine, conf. II
124638.7903116.3001 -5.5129 3 824.9382531 89503 303883256 883257 a-Alanine, conf. II
124649.5754 19.4803 -4.9456 3 527.6515429 89503 303712348 712349 a-Alanine, conf. II
124651.2453 19.4739 -5.3777 3 527.6515429 89503 303712348 712249 a-Alanine, conf. II
124664.3245 19.4229 -5.3776 3 527.6515429 89503 303712448 712349 a-Alanine, conf. II
124665.9944 19.4165 -4.9455 3 527.6515429 89503 303712448 712249 a-Alanine, conf. II
124771.2458 0.0476 -4.9761 3 22.3183 93 89503 30315 7 8 14 5 9 a-Alanine, conf. II
124774.6674 51.7166 -5.2237 3 678.2705483 89503 303802852 802853 a-Alanine, conf. II
124800.7230 2.9542 -5.1805 3 230.4560255 89503 303423012 422913 a-Alanine, conf. II
124800.7230 2.9542 -5.1805 3 230.4560255 89503 303423013 422914 a-Alanine, conf. II
124826.2405 84.4544 -5.6572 3 885.5575549 89503 303913557 913358 a-Alanine, conf. II
124830.1644 51.3034 -5.5975 3 678.2686483 89503 303802852 802753 a-Alanine, conf. II
124836.7816 13.2372 -5.5307 3 639.4116459 89503 303763541 763442 a-Alanine, conf. II
124839.9959 0.1046 -3.8717 3 61.8782135 89503 3032216 7 2116 6 a-Alanine, conf. II
124839.9961 0.1046 -3.8717 3 61.8782135 89503 3032216 6 2116 5 a-Alanine, conf. II
124858.4751 5.9266 -4.7491 3 406.3780381 89503 303631845 631846 a-Alanine, conf. II
124858.4868 5.9266 -5.2349 3 406.3780381 89503 303631845 631746 a-Alanine, conf. II
124858.6164 5.9264 -5.2349 3 406.3780381 89503 303631945 631846 a-Alanine, conf. II
124858.6281 5.9263 -4.7491 3 406.3780381 89503 303631945 631746 a-Alanine, conf. II
124885.0396 2.9809 -4.6931 3 364.0686363 89503 303601644 601645 a-Alanine, conf. II
124885.0407 2.9809 -5.1987 3 364.0686363 89503 303601644 601545 a-Alanine, conf. II
124885.0541 2.9809 -5.1987 3 364.0686363 89503 303601744 601645 a-Alanine, conf. II
124885.0552 2.9809 -4.6931 3 364.0686363 89503 303601744 601545 a-Alanine, conf. II
124910.4045 0.0210 -4.7543 3 52.2629147 89503 30324 420 23 519 a-Alanine, conf. II
124910.5073 0.0210 -3.5356 3 52.2629147 89503 30324 520 23 519 a-Alanine, conf. II
124910.7020 0.0210 -3.5356 3 52.2629147 89503 30324 420 23 419 a-Alanine, conf. II
124910.8048 0.0210 -4.7543 3 52.2629147 89503 30324 520 23 419 a-Alanine, conf. II
124911.3555 0.0502 -5.1788 3 40.5343123 89503 30320 813 19 712 a-Alanine, conf. II
124947.9872 2.2260 -5.2044 3 223.7620297 89503 30349 841 49 742 a-Alanine, conf. II
124947.9872 2.2260 -4.6282 3 223.7620297 89503 30349 841 49 842 a-Alanine, conf. II
124947.9872 2.2260 -4.6282 3 223.7620297 89503 30349 941 49 742 a-Alanine, conf. II
124947.9872 2.2260 -5.2044 3 223.7620297 89503 30349 941 49 842 a-Alanine, conf. II
124950.0636 2.9840 -5.1628 3 334.9729321 89503 303533122 533023 a-Alanine, conf. II
124950.0640 2.9840 -5.1628 3 334.9729321 89503 303533123 533024 a-Alanine, conf. II
124969.9200 12.2354 -5.5298 3 639.4065459 89503 303763542 763443 a-Alanine, conf. II
124986.4701 21.3377 -5.6327 3 704.5472483 89503 303803644 803545 a-Alanine, conf. II
124998.6311 2.6093 -5.3825 3 167.8163267 89503 30344 440 44 341 a-Alanine, conf. II
124998.6311 2.6093 -4.7760 3 167.8163267 89503 30344 440 44 441 a-Alanine, conf. II
124998.6311 2.6093 -4.7760 3 167.8163267 89503 30344 540 44 341 a-Alanine, conf. II
124998.6311 2.6093 -5.3825 3 167.8163267 89503 30344 540 44 441 a-Alanine, conf. II
125041.6128 0.0481 -5.3776 3 16.6011 81 89503 30313 7 7 12 5 8 a-Alanine, conf. II
125074.3262 1.2927 -5.1679 3 271.9224321 89503 303531142 531043 a-Alanine, conf. II
125074.3262 1.2927 -4.6165 3 271.9224321 89503 303531142 531143 a-Alanine, conf. II
125074.3263 1.2927 -4.6165 3 271.9224321 89503 303531242 531043 a-Alanine, conf. II
125074.3263 1.2927 -5.1679 3 271.9224321 89503 303531242 531143 a-Alanine, conf. II
125076.4286 0.0607 -5.3454 3 18.1462 87 89503 30314 5 9 13 310 a-Alanine, conf. II
125087.0799 2.9962 -5.1944 3 222.5034249 89503 303413011 412912 a-Alanine, conf. II
125087.0799 2.9962 -5.1944 3 222.5034249 89503 303413012 412913 a-Alanine, conf. II
125092.8850 0.8672 -5.2260 3 152.6971225 89503 303371819 371622 a-Alanine, conf. II
125096.5489 94.0044 -5.4335 3 786.9872519 89503 303863155 863156 a-Alanine, conf. II
125108.0141 62.8472 -5.2894 3 713.6508495 89503 303822953 822954 a-Alanine, conf. II
125108.8702 20.4628 -5.7434 3 889.4404549 89503 303913656 913457 a-Alanine, conf. II
125131.2919 0.0850 -3.8098 3 59.6834135 89503 3032215 8 2115 7 a-Alanine, conf. II
125131.2999 0.0850 -3.8098 3 59.6834135 89503 3032215 7 2115 6 a-Alanine, conf. II
125147.1559 0.7481 -5.3807 3 110.4858189 89503 303311715 311516 a-Alanine, conf. II
125151.9530 48.9771 -5.5953 3 678.2705483 89503 303802952 802853 a-Alanine, conf. II
125190.4534 0.4827 -5.7051 3 109.7173195 89503 303321319 321122 a-Alanine, conf. II
125199.4709 62.0735 -5.6519 3 713.6478495 89503 303822953 822854 a-Alanine, conf. II
125207.4500 48.5640 -5.2208 3 678.2686483 89503 303802952 802753 a-Alanine, conf. II
125231.3176 76.6327 -5.3592 3 749.8905507 89503 303843054 843055 a-Alanine, conf. II
125302.7674 0.0867 -4.9833 3 25.6422 93 89503 3031510 6 14 9 5 a-Alanine, conf. II
125316.6733 0.0868 -4.9832 3 25.6419 93 89503 3031510 5 14 9 6 a-Alanine, conf. II
125326.8347 0.0179 -3.5894 3 48.7167135 89503 30322 815 21 814 a-Alanine, conf. II
125351.9576 3.0388 -5.2116 3 214.7462243 89503 303403010 402911 a-Alanine, conf. II
125351.9576 3.0388 -5.2116 3 214.7462243 89503 303403011 402912 a-Alanine, conf. II
125361.7479 3.5588 -5.2284 3 415.4609363 89503 303603228 603129 a-Alanine, conf. II
125361.8103 3.5587 -5.2284 3 415.4609363 89503 303603229 603130 a-Alanine, conf. II
125380.3385 75.2083 -5.7098 3 749.8856507 89503 303843054 842955 a-Alanine, conf. II
125384.4640 17.6745 -5.6300 3 704.5316483 89503 303803645 803546 a-Alanine, conf. II
125402.0737 4.9789 -5.3190 3 492.8589399 89503 303663333 663234 a-Alanine, conf. II
125404.0460 4.9708 -5.3190 3 492.8589399 89503 303663334 663235 a-Alanine, conf. II
125428.0269 24.6133 -5.7412 3 772.9158507 89503 303843748 843649 a-Alanine, conf. II
125466.3303 0.0297 -5.5973 3 14.8686 81 89503 30313 5 9 12 310 a-Alanine, conf. II
125493.1149 2.1466 -5.7115 3 167.1242243 89503 303401327 391524 a-Alanine, conf. II
125495.9798 0.0670 -3.7569 3 57.6443135 89503 3032214 9 2114 8 a-Alanine, conf. II
125496.1628 0.0670 -3.7569 3 57.6443135 89503 3032214 8 2114 7 a-Alanine, conf. II
125516.8621 2.9906 -5.1564 3 324.8563315 89503 303523121 523022 a-Alanine, conf. II
125516.8622 2.9906 -5.1564 3 324.8563315 89503 303523122 523023 a-Alanine, conf. II
125557.2135 0.1998 -5.6183 3 84.0412171 89503 303281216 271315 a-Alanine, conf. II
125585.8478 0.7377 -5.3780 3 110.4713189 89503 303311714 311517 a-Alanine, conf. II
125594.9183 7.6041 -5.4144 3 563.5947429 89503 303713437 713338 a-Alanine, conf. II
125596.6569 3.0817 -5.2328 3 207.1838237 89503 3033930 9 392910 a-Alanine, conf. II
125596.6569 3.0817 -5.2328 3 207.1838237 89503 303393010 392911 a-Alanine, conf. II
125612.9540 7.5008 -5.4143 3 563.5941429 89503 303713438 713339 a-Alanine, conf. II
125623.3645 0.8368 -5.5364 3 135.6220219 89503 303361224 351421 a-Alanine, conf. II
125666.0987 0.2949 -5.6600 3 104.4747189 89503 303311418 301515 a-Alanine, conf. II
125672.1207 2.6724 -5.4771 3 156.4956261 89503 30343 340 43 241 a-Alanine, conf. II
125672.1207 2.6724 -4.8633 3 156.4956261 89503 30343 340 43 341 a-Alanine, conf. II
125672.1207 2.6724 -4.8633 3 156.4956261 89503 30343 440 43 241 a-Alanine, conf. II
125672.1207 2.6724 -5.4771 3 156.4956261 89503 30343 440 43 341 a-Alanine, conf. II
125703.2473 57.9733 -5.6485 3 713.6508495 89503 303823053 822954 a-Alanine, conf. II
125731.3795 23.9877 -4.9932 3 559.1167441 89503 303732449 732450 a-Alanine, conf. II
125734.3549 23.9743 -5.4162 3 559.1166441 89503 303732449 732350 a-Alanine, conf. II
125756.5272 23.8734 -5.4160 3 559.1167441 89503 303732549 732450 a-Alanine, conf. II
125759.5027 23.8600 -4.9930 3 559.1166441 89503 303732549 732350 a-Alanine, conf. II
125778.4727 0.0665 -5.5673 3 15.1208 75 89503 30312 8 4 11 6 5 a-Alanine, conf. II
125794.7042 57.1999 -5.2848 3 713.6478495 89503 303823053 822854 a-Alanine, conf. II
125796.9780 12.8044 -4.8563 3 479.9696411 89503 303682147 682148 a-Alanine, conf. II
125797.1898 12.8038 -5.3124 3 479.9695411 89503 303682147 682048 a-Alanine, conf. II
125799.1106 12.7980 -5.3124 3 479.9696411 89503 303682247 682148 a-Alanine, conf. II
125799.3225 12.7974 -4.8563 3 479.9695411 89503 303682247 682048 a-Alanine, conf. II
125822.3981 3.1247 -5.2586 3 199.8158231 89503 3033830 8 3829 9 a-Alanine, conf. II
125822.3981 3.1247 -5.2586 3 199.8158231 89503 3033830 9 382910 a-Alanine, conf. II
125839.8459 2.4996 -5.2290 3 211.2474291 89503 30348 741 48 642 a-Alanine, conf. II
125839.8459 2.4996 -4.6445 3 211.2474291 89503 30348 741 48 742 a-Alanine, conf. II
125839.8459 2.4996 -4.6445 3 211.2474291 89503 30348 841 48 642 a-Alanine, conf. II
125839.8459 2.4996 -5.2290 3 211.2474291 89503 30348 841 48 742 a-Alanine, conf. II
125866.4615 0.0586 -5.0752 3 27.3717 99 89503 30316 9 8 15 8 7 a-Alanine, conf. II
125890.9758 0.5834 -4.6339 3 309.4240339 89503 303561343 561344 a-Alanine, conf. II
125890.9759 0.5834 -5.1684 3 309.4240339 89503 303561343 561244 a-Alanine, conf. II
125890.9760 0.5834 -5.1684 3 309.4240339 89503 303561443 561344 a-Alanine, conf. II
125890.9761 0.5834 -4.6339 3 309.4240339 89503 303561443 561244 a-Alanine, conf. II
125935.7748 0.8007 -5.5956 3 124.3404207 89503 303341420 341223 a-Alanine, conf. II
125941.1312 0.0471 -3.6073 3 46.0221129 89503 30321 912 20 911 a-Alanine, conf. II
125964.2148 0.0508 -3.7109 3 55.7648135 89503 303221310 2113 9 a-Alanine, conf. II
125967.3676 0.0508 -3.7108 3 55.7649135 89503 3032213 9 2113 8 a-Alanine, conf. II
126030.3290 3.1677 -5.2901 3 192.6418225 89503 3033730 7 3729 8 a-Alanine, conf. II
126030.3290 3.1677 -5.2901 3 192.6418225 89503 3033730 8 3729 9 a-Alanine, conf. II
126044.7493 78.4524 -5.7378 3 925.6056561 89503 303933658 933459 a-Alanine, conf. II
126045.3385 3.0057 -5.1514 3 314.9403309 89503 303513120 513021 a-Alanine, conf. II
126045.3385 3.0057 -5.1514 3 314.9403309 89503 303513121 513022 a-Alanine, conf. II
126086.5639 0.1617 -3.4433 3 55.3741165 89503 30327 027 26 026 a-Alanine, conf. II
126086.5639 0.1617 -4.5450 3 55.3741165 89503 30327 027 26 126 a-Alanine, conf. II
126086.5639 0.1617 -4.5450 3 55.3741165 89503 30327 127 26 026 a-Alanine, conf. II
126086.5639 0.1617 -3.4433 3 55.3741165 89503 30327 127 26 126 a-Alanine, conf. II
126159.3004 68.1172 -5.7045 3 749.8905507 89503 303843154 843055 a-Alanine, conf. II
126167.4008 1.7845 -5.1731 3 258.4659315 89503 303521042 52 943 a-Alanine, conf. II
126167.4008 1.7845 -4.6124 3 258.4659315 89503 303521042 521043 a-Alanine, conf. II
126167.4008 1.7845 -4.6124 3 258.4659315 89503 303521142 52 943 a-Alanine, conf. II
126167.4008 1.7845 -5.1731 3 258.4659315 89503 303521142 521043 a-Alanine, conf. II
126173.3514 3.4628 -5.2141 3 403.9487357 89503 303593227 593128 a-Alanine, conf. II
126173.3736 3.4627 -5.2141 3 403.9487357 89503 303593228 593129 a-Alanine, conf. II
126221.5317 3.2103 -5.3287 3 185.6614219 89503 3033630 6 3629 7 a-Alanine, conf. II
126221.5317 3.2103 -5.3287 3 185.6614219 89503 3033630 7 3629 8 a-Alanine, conf. II
126298.7916 2.6985 -5.6235 3 145.4127255 89503 30342 240 42 141 a-Alanine, conf. II
126298.7916 2.6985 -5.0027 3 145.4127255 89503 30342 240 42 241 a-Alanine, conf. II
126298.7916 2.6985 -5.0027 3 145.4127255 89503 30342 340 42 141 a-Alanine, conf. II
126298.7916 2.6985 -5.6235 3 145.4127255 89503 30342 340 42 241 a-Alanine, conf. II
126306.9195 0.3913 -5.6756 3 112.4713195 89503 303321518 311615 a-Alanine, conf. II
126308.3214 66.6934 -5.3520 3 749.8856507 89503 303843154 842955 a-Alanine, conf. II
126333.0037 0.0346 -4.6801 3 54.3722153 89503 30325 322 24 421 a-Alanine, conf. II
126333.0048 0.0346 -3.5021 3 54.3722153 89503 30325 422 24 421 a-Alanine, conf. II
126333.0072 0.0346 -3.5021 3 54.3722153 89503 30325 322 24 321 a-Alanine, conf. II
126333.0083 0.0346 -4.6801 3 54.3722153 89503 30325 422 24 321 a-Alanine, conf. II
126373.4180 0.0440 -5.1106 3 44.5014129 89503 30321 814 20 713 a-Alanine, conf. II
126397.0287 3.2527 -5.3766 3 178.8742213 89503 3033530 5 3529 6 a-Alanine, conf. II
126397.0287 3.2527 -5.3766 3 178.8742213 89503 3033530 6 3529 7 a-Alanine, conf. II
126412.1661 1.8300 -4.6683 3 348.9959357 89503 303591544 591545 a-Alanine, conf. II
126412.1663 1.8300 -5.1851 3 348.9959357 89503 303591544 591445 a-Alanine, conf. II
126412.1688 1.8299 -5.1851 3 348.9959357 89503 303591644 591545 a-Alanine, conf. II
126412.1690 1.8299 -4.6683 3 348.9959357 89503 303591644 591445 a-Alanine, conf. II
126418.3159 7.9002 -4.7803 3 434.2864393 89503 303651946 651947 a-Alanine, conf. II
126418.3393 7.9002 -5.2582 3 434.2864393 89503 303651946 651847 a-Alanine, conf. II
126418.5848 7.8996 -5.2582 3 434.2864393 89503 303652046 651947 a-Alanine, conf. II
126418.6082 7.8996 -4.7803 3 434.2864393 89503 303652046 651847 a-Alanine, conf. II
126457.5541 1.5603 -5.2305 3 183.5358249 89503 303411823 411626 a-Alanine, conf. II
126483.6398 4.6302 -5.2986 3 480.1385393 89503 303653332 653233 a-Alanine, conf. II
126484.4239 4.6272 -5.2986 3 480.1385393 89503 303653333 653234 a-Alanine, conf. II
126538.0724 3.0276 -5.1480 3 305.2241303 89503 303503119 503020 a-Alanine, conf. II
126538.0724 3.0276 -5.1480 3 305.2241303 89503 303503120 503021 a-Alanine, conf. II
126541.7860 0.0623 -5.0723 3 27.3539 99 89503 30316 9 7 15 8 8 a-Alanine, conf. II
126557.7880 3.2944 -5.4368 3 172.2797207 89503 3033430 4 3429 5 a-Alanine, conf. II
126557.7880 3.2944 -5.4368 3 172.2797207 89503 3033430 5 3429 6 a-Alanine, conf. II
126572.6148 11.2084 -5.4999 3 624.6543453 89503 303753540 753441 a-Alanine, conf. II
126576.2651 0.0374 -3.6699 3 54.0512135 89503 303221211 211210 a-Alanine, conf. II
126603.0094 4.3327 -4.7175 3 390.6224375 89503 303621745 621746 a-Alanine, conf. II
126603.0116 4.3327 -5.2155 3 390.6224375 89503 303621745 621646 a-Alanine, conf. II
126603.0387 4.3327 -5.2155 3 390.6224375 89503 303621845 621746 a-Alanine, conf. II
126603.0409 4.3327 -4.7175 3 390.6224375 89503 303621845 621646 a-Alanine, conf. II
126616.9356 0.0379 -3.6696 3 54.0518135 89503 303221210 2112 9 a-Alanine, conf. II
126620.6439 0.0685 -5.5652 3 15.0922 75 89503 30312 8 5 11 6 6 a-Alanine, conf. II
126634.1346 10.7597 -5.4995 3 624.6519453 89503 303753541 753442 a-Alanine, conf. II
126670.6852 2.7173 -5.2632 3 198.9640285 89503 30347 641 47 542 a-Alanine, conf. II
126670.6852 2.7173 -4.6708 3 198.9640285 89503 30347 641 47 642 a-Alanine, conf. II
126670.6852 2.7173 -4.6708 3 198.9640285 89503 30347 741 47 542 a-Alanine, conf. II
126670.6852 2.7173 -5.2632 3 198.9640285 89503 30347 741 47 642 a-Alanine, conf. II
126704.7277 3.3356 -5.5150 3 165.8777201 89503 3033330 3 3329 4 a-Alanine, conf. II
126704.7277 3.3356 -5.5150 3 165.8777201 89503 3033330 4 3329 5 a-Alanine, conf. II
126718.6049 29.3089 -5.0442 3 591.4530453 89503 303752550 752551 a-Alanine, conf. II
126723.8332 29.2815 -5.4579 3 591.4529453 89503 303752550 752451 a-Alanine, conf. II
126725.9439 0.5040 -5.6980 3 120.8090201 89503 303331618 321715 a-Alanine, conf. II
126760.9249 29.0863 -5.4576 3 591.4530453 89503 303752650 752551 a-Alanine, conf. II
126766.0830 76.8197 -5.4225 3 786.9792519 89503 303863255 863056 a-Alanine, conf. II
126766.1531 29.0588 -5.0439 3 591.4529453 89503 303752650 752451 a-Alanine, conf. II
126775.4579 0.0172 -4.8957 3 51.5037141 89503 30323 617 22 716 a-Alanine, conf. II
126838.7201 3.3761 -5.6214 3 159.6677195 89503 3033230 2 3229 3 a-Alanine, conf. II
126838.7201 3.3761 -5.6214 3 159.6677195 89503 3033230 3 3229 4 a-Alanine, conf. II
126839.1155 1.2205 -5.4967 3 139.8495219 89503 303361521 361324 a-Alanine, conf. II
126852.4261 0.0291 -3.5800 3 45.2479129 89503 30321 813 20 812 a-Alanine, conf. II
126857.4889 0.0164 -3.5566 3 51.5037141 89503 30323 717 22 716 a-Alanine, conf. II
126881.7774 2.6915 -5.2679 3 134.5692249 89503 30341 140 41 141 a-Alanine, conf. II
126881.7774 2.6915 -5.2679 3 134.5692249 89503 30341 240 41 041 a-Alanine, conf. II
126930.0707 3.3949 -5.2011 3 392.6411351 89503 303583226 583127 a-Alanine, conf. II
126930.0783 3.3949 -5.2011 3 392.6411351 89503 303583227 583128 a-Alanine, conf. II
126946.4734 6.7750 -5.3891 3 549.8622423 89503 303703436 703337 a-Alanine, conf. II
126954.2145 6.7327 -5.3890 3 549.8619423 89503 303703437 703338 a-Alanine, conf. II
126959.9610 0.0166 -3.5748 3 48.6055135 89503 30322 715 21 714 a-Alanine, conf. II
126971.9271 0.0159 -3.5557 3 51.4971141 89503 30323 617 22 616 a-Alanine, conf. II
126972.0400 28.3564 -5.7075 3 756.5561501 89503 303833746 833647 a-Alanine, conf. II
126982.2165 94.4954 -5.5421 3 708.6455489 89503 303813349 813150 a-Alanine, conf. II
126997.4075 3.0550 -5.1461 3 295.7072297 89503 303493118 493019 a-Alanine, conf. II
126997.4075 3.0550 -5.1461 3 295.7072297 89503 303493119 493020 a-Alanine, conf. II
127031.4264 96.6263 -5.6040 3 761.0976507 89503 303843451 843252 a-Alanine, conf. II
127052.4313 0.5205 -5.6955 3 120.8086201 89503 303331617 321716 a-Alanine, conf. II
127053.9581 0.0156 -4.8936 3 51.4971141 89503 30323 717 22 616 a-Alanine, conf. II
127082.8497 17.3500 -5.5974 3 688.9724477 89503 303793643 793544 a-Alanine, conf. II
127089.5087 0.0721 -5.0932 3 21.6261 93 89503 30315 6 9 14 410 a-Alanine, conf. II
127095.1104 0.8831 -5.2449 3 145.4686219 89503 303361818 361621 a-Alanine, conf. II
127101.9084 16.0974 -4.8975 3 510.1017423 89503 303702248 702249 a-Alanine, conf. II
127102.3035 16.0960 -5.3451 3 510.1017423 89503 303702248 702149 a-Alanine, conf. II
127105.7073 16.0839 -5.3451 3 510.1017423 89503 303702348 702249 a-Alanine, conf. II
127106.1025 16.0825 -4.8975 3 510.1017423 89503 303702348 702149 a-Alanine, conf. II
127126.9909 0.2317 -4.7994 3 25.0141 81 89503 3031313 0 1212 1 a-Alanine, conf. II
127126.9909 0.2317 -4.7994 3 25.0141 81 89503 3031313 1 1212 0 a-Alanine, conf. II
127135.2279 0.9878 -5.1649 3 295.2627333 89503 303551243 551144 a-Alanine, conf. II
127135.2279 0.9878 -4.6205 3 295.2627333 89503 303551243 551244 a-Alanine, conf. II
127135.2279 0.9878 -4.6205 3 295.2627333 89503 303551343 551144 a-Alanine, conf. II
127135.2279 0.9878 -5.1649 3 295.2627333 89503 303551343 551244 a-Alanine, conf. II
127175.2278 0.7541 -5.4206 3 104.4747183 89503 303301714 301515 a-Alanine, conf. II
127179.2930 0.6326 -5.7226 3 129.4848207 89503 303341718 331815 a-Alanine, conf. II
127185.1415 2.2147 -5.1835 3 245.2351309 89503 30351 942 51 843 a-Alanine, conf. II
127185.1415 2.2147 -4.6141 3 245.2351309 89503 30351 942 51 943 a-Alanine, conf. II
127185.1415 2.2147 -4.6141 3 245.2351309 89503 303511042 51 843 a-Alanine, conf. II
127185.1415 2.2147 -5.1835 3 245.2351309 89503 303511042 51 943 a-Alanine, conf. II
127196.0566 87.1274 -5.4960 3 824.9254531 89503 303883356 883157 a-Alanine, conf. II
127209.4963 1.5463 -5.2211 3 169.8840237 89503 303391921 391722 a-Alanine, conf. II
127272.0143 0.6396 -5.7219 3 129.4847207 89503 303341717 331816 a-Alanine, conf. II
127275.5592 15.6118 -5.5961 3 688.9649477 89503 303793644 793545 a-Alanine, conf. II
127321.2247 0.0289 -3.6333 3 52.5114135 89503 303221112 211111 a-Alanine, conf. II
127342.8573 88.6118 -5.4850 3 658.0281471 89503 303783247 783048 a-Alanine, conf. II
127351.1574 0.7503 -5.4195 3 104.4689183 89503 303301713 301516 a-Alanine, conf. II
127370.2090 0.4252 -5.6671 3 112.4697195 89503 303321517 311616 a-Alanine, conf. II
127375.7696 0.0223 -3.5873 3 49.9172135 89503 30322 914 21 913 a-Alanine, conf. II
127377.3698 0.0799 -5.4980 3 25.4248 99 89503 30316 7 9 15 610 a-Alanine, conf. II
127382.0548 0.6218 -5.3902 3 123.1819207 89503 303341321 331518 a-Alanine, conf. II
127425.4833 3.0869 -5.1459 3 286.3889291 89503 303483117 483018 a-Alanine, conf. II
127425.4833 3.0869 -5.1459 3 286.3889291 89503 303483118 483019 a-Alanine, conf. II
127445.0365 2.8830 -5.3104 3 186.9137279 89503 30346 541 46 442 a-Alanine, conf. II
127445.0365 2.8830 -4.7103 3 186.9137279 89503 30346 541 46 542 a-Alanine, conf. II
127445.0365 2.8830 -4.7103 3 186.9137279 89503 30346 641 46 442 a-Alanine, conf. II
127445.0365 2.8830 -5.3104 3 186.9137279 89503 30346 641 46 542 a-Alanine, conf. II
127488.5231 4.3598 -5.2795 3 467.6267387 89503 303643331 643232 a-Alanine, conf. II
127488.8264 4.3587 -5.2795 3 467.6266387 89503 303643332 643233 a-Alanine, conf. II
127514.1190 94.1689 -5.6710 3 815.3790525 89503 303873553 873354 a-Alanine, conf. II
127528.1607 22.3104 -5.7037 3 756.5341501 89503 303833747 833648 a-Alanine, conf. II
127554.5560 0.0732 -5.1796 3 54.1660141 89503 30323 815 22 914 a-Alanine, conf. II
127568.2665 0.1127 -5.3446 3 59.8737147 89503 30324 915 231014 a-Alanine, conf. II
127578.8790 0.9688 -5.2778 3 138.5020213 89503 303351818 351619 a-Alanine, conf. II
127604.0188 35.5876 -5.0986 3 624.6584465 89503 303772651 772652 a-Alanine, conf. II
127613.0852 35.5325 -5.5027 3 624.6581465 89503 303772651 772552 a-Alanine, conf. II
127636.1985 3.3497 -5.1893 3 381.5370345 89503 303573225 573126 a-Alanine, conf. II
127636.2010 3.3497 -5.1893 3 381.5370345 89503 303573226 573127 a-Alanine, conf. II
127640.3553 96.8196 -5.5726 3 863.7209543 89503 303903457 903258 a-Alanine, conf. II
127674.3493 35.1620 -5.5023 3 624.6584465 89503 303772751 772652 a-Alanine, conf. II
127683.4157 35.1069 -5.0980 3 624.6581465 89503 303772751 772552 a-Alanine, conf. II
127696.1971 0.0327 -3.6307 3 52.5191135 89503 303221111 211110 a-Alanine, conf. II
127780.7342 0.0648 -3.4691 3 56.2912159 89503 30326 224 25 223 a-Alanine, conf. II
127780.7342 0.0648 -4.6157 3 56.2912159 89503 30326 224 25 323 a-Alanine, conf. II
127780.7342 0.0648 -4.6157 3 56.2912159 89503 30326 324 25 223 a-Alanine, conf. II
127780.7342 0.0648 -3.4691 3 56.2912159 89503 30326 324 25 323 a-Alanine, conf. II
127824.2620 3.1225 -5.1476 3 277.2686285 89503 303473116 473017 a-Alanine, conf. II
127824.2620 3.1225 -5.1476 3 277.2686285 89503 303473117 473018 a-Alanine, conf. II
127827.4087 0.9105 -5.1746 3 334.1378351 89503 303581444 581345 a-Alanine, conf. II
127827.4087 0.9105 -4.6472 3 334.1378351 89503 303581444 581445 a-Alanine, conf. II
127827.4091 0.9105 -5.1746 3 334.1378351 89503 303581544 581445 a-Alanine, conf. II
127827.4092 0.9105 -4.6472 3 334.1378351 89503 303581544 581345 a-Alanine, conf. II
127867.6055 0.0257 -3.6033 3 51.1466135 89503 303221013 211012 a-Alanine, conf. II
127909.9720 10.2828 -4.8152 3 463.0762405 89503 303672047 672048 a-Alanine, conf. II
127910.0179 10.2827 -5.2851 3 463.0762405 89503 303672047 671948 a-Alanine, conf. II
127910.4746 10.2814 -5.2851 3 463.0762405 89503 303672147 672048 a-Alanine, conf. II
127910.5205 10.2813 -4.8152 3 463.0762405 89503 303672147 671948 a-Alanine, conf. II
128065.6907 79.9406 -5.4329 3 609.2511453 89503 303753145 752946 a-Alanine, conf. II
128073.4921 1.6975 -5.4095 3 156.2434231 89503 303381622 381425 a-Alanine, conf. II
128133.7496 2.5790 -5.2001 3 232.2320303 89503 30350 842 50 743 a-Alanine, conf. II
128133.7496 2.5790 -4.6223 3 232.2320303 89503 30350 842 50 843 a-Alanine, conf. II
128133.7496 2.5790 -4.6223 3 232.2320303 89503 30350 942 50 743 a-Alanine, conf. II
128133.7496 2.5790 -5.2001 3 232.2320303 89503 30350 942 50 843 a-Alanine, conf. II
128135.3871 0.0183 -4.7885 3 54.0740147 89503 30324 519 23 618 a-Alanine, conf. II
128137.5537 0.0183 -3.5256 3 54.0740147 89503 30324 619 23 618 a-Alanine, conf. II
128141.2226 0.0183 -3.5255 3 54.0738147 89503 30324 519 23 518 a-Alanine, conf. II
128143.3892 0.0183 -4.7885 3 54.0738147 89503 30324 619 23 518 a-Alanine, conf. II
128147.8146 9.6940 -5.4709 3 610.1152447 89503 303743539 743440 a-Alanine, conf. II
128159.7377104.5935 -5.6518 3 903.3619555 89503 303923558 923359 a-Alanine, conf. II
128166.9384 3.0008 -5.3759 3 175.0980273 89503 30345 441 45 342 a-Alanine, conf. II
128166.9384 3.0008 -4.7686 3 175.0980273 89503 30345 441 45 442 a-Alanine, conf. II
128166.9384 3.0008 -4.7686 3 175.0980273 89503 30345 541 45 342 a-Alanine, conf. II
128166.9384 3.0008 -5.3759 3 175.0980273 89503 30345 541 45 442 a-Alanine, conf. II
128175.4933 9.4992 -5.4707 3 610.1141447 89503 303743540 743441 a-Alanine, conf. II
128194.0307 6.1283 -5.3652 3 536.3421417 89503 303693435 693336 a-Alanine, conf. II
128195.5500 3.1609 -5.1512 3 268.3458279 89503 303463115 463016 a-Alanine, conf. II
128195.5500 3.1609 -5.1512 3 268.3458279 89503 303463116 463017 a-Alanine, conf. II
128197.2671 6.1115 -5.3652 3 536.3420417 89503 303693436 693337 a-Alanine, conf. II
128214.2626 2.9298 -4.6895 3 375.0760369 89503 303611645 611646 a-Alanine, conf. II
128214.2630 2.9298 -5.1989 3 375.0760369 89503 303611645 611546 a-Alanine, conf. II
128214.2683 2.9298 -5.1989 3 375.0760369 89503 303611745 611646 a-Alanine, conf. II
128214.2687 2.9298 -4.6895 3 375.0760369 89503 303611745 611546 a-Alanine, conf. II
128258.1895 6.0062 -4.7458 3 418.0613387 89503 303641846 641847 a-Alanine, conf. II
128258.1941 6.0062 -5.2362 3 418.0613387 89503 303641846 641747 a-Alanine, conf. II
128258.2473 6.0060 -5.2362 3 418.0613387 89503 303641946 641847 a-Alanine, conf. II
128258.2519 6.0060 -4.7458 3 418.0613387 89503 303641946 641747 a-Alanine, conf. II
128292.9690 1.5703 -5.1653 3 281.3229327 89503 303541143 541044 a-Alanine, conf. II
128292.9690 1.5703 -4.6116 3 281.3229327 89503 303541143 541144 a-Alanine, conf. II
128292.9690 1.5703 -4.6116 3 281.3229327 89503 303541243 541044 a-Alanine, conf. II
128292.9690 1.5703 -5.1653 3 281.3229327 89503 303541243 541144 a-Alanine, conf. II
128295.5275 3.3230 -5.1787 3 370.6357339 89503 303563224 563125 a-Alanine, conf. II
128295.5283 3.3230 -5.1787 3 370.6357339 89503 303563225 563126 a-Alanine, conf. II
128327.8421 19.9949 -4.9421 3 541.1093435 89503 303722349 722350 a-Alanine, conf. II
128328.5673 19.9919 -5.3812 3 541.1092435 89503 303722349 722250 a-Alanine, conf. II
128334.5106 19.9670 -5.3811 3 541.1093435 89503 303722449 722350 a-Alanine, conf. II
128335.2359 19.9640 -4.9421 3 541.1092435 89503 303722449 722250 a-Alanine, conf. II
128378.2747 43.0067 -5.1564 3 658.7305477 89503 303792752 792753 a-Alanine, conf. II
128393.8007 42.8982 -5.5507 3 658.7300477 89503 303792752 792653 a-Alanine, conf. II
128423.9944 4.1516 -5.2616 3 455.3222381 89503 303633330 633231 a-Alanine, conf. II
128424.1086 4.1512 -5.2616 3 455.3222381 89503 303633331 633232 a-Alanine, conf. II
128437.3750 0.1697 -4.8446 3 25.8147 87 89503 3031412 3 1311 2 a-Alanine, conf. II
128437.3769 0.1697 -4.8446 3 25.8147 87 89503 3031412 2 1311 3 a-Alanine, conf. II
128493.7492 42.2083 -5.5501 3 658.7305477 89503 303792852 792753 a-Alanine, conf. II
128509.2753 42.0998 -5.1555 3 658.7300477 89503 303792852 792653 a-Alanine, conf. II
128541.0168 3.2016 -5.1569 3 259.6199273 89503 303453114 453015 a-Alanine, conf. II
128541.0168 3.2016 -5.1569 3 259.6199273 89503 303453115 453016 a-Alanine, conf. II
128661.2575 0.0331 -5.0350 3 48.6055135 89503 30322 815 21 714 a-Alanine, conf. II
128680.3838 1.1282 -5.7243 3 206.4306267 89503 303441728 431925 a-Alanine, conf. II
128685.4024 0.3312 -5.2663 3 115.1003201 89503 303331221 321418 a-Alanine, conf. II
128790.6866 0.3520 -5.6328 3 104.4689189 89503 303311417 301516 a-Alanine, conf. II
128840.0139 3.0747 -5.4701 3 163.5186267 89503 30344 341 44 242 a-Alanine, conf. II
128840.0139 3.0747 -4.8557 3 163.5186267 89503 30344 341 44 342 a-Alanine, conf. II
128840.0139 3.0747 -4.8557 3 163.5186267 89503 30344 441 44 242 a-Alanine, conf. II
128840.0139 3.0747 -5.4701 3 163.5186267 89503 30344 441 44 342 a-Alanine, conf. II
128857.8762165.8686 -5.6679 3 921.3073561 89503 303933459 933460 a-Alanine, conf. II
128860.7481 0.7686 -5.4671 3 98.6783177 89503 303291713 291514 a-Alanine, conf. II
128862.2113 3.2440 -5.1649 3 251.0904267 89503 303443113 443014 a-Alanine, conf. II
128862.2113 3.2440 -5.1649 3 251.0904267 89503 303443114 443015 a-Alanine, conf. II
128911.4336 3.3111 -5.1695 3 359.9364333 89503 303553223 553124 a-Alanine, conf. II
128911.4338 3.3111 -5.1695 3 359.9364333 89503 303553224 553125 a-Alanine, conf. II
128927.1161 0.7673 -5.4666 3 98.6761177 89503 303291712 291515 a-Alanine, conf. II
128946.4978 14.5117 -5.5643 3 673.6212471 89503 303783642 783543 a-Alanine, conf. II
129018.6480 2.8795 -5.2243 3 219.4584297 89503 30349 742 49 643 a-Alanine, conf. II
129018.6480 2.8795 -4.6385 3 219.4584297 89503 30349 742 49 743 a-Alanine, conf. II
129018.6480 2.8795 -4.6385 3 219.4584297 89503 30349 842 49 643 a-Alanine, conf. II
129018.6480 2.8795 -5.2243 3 219.4584297 89503 30349 842 49 743 a-Alanine, conf. II
129029.0611 51.8079 -5.2176 3 693.6672489 89503 303812853 812854 a-Alanine, conf. II
129037.2715 13.7137 -5.5637 3 673.6177471 89503 303783643 783544 a-Alanine, conf. II
129055.3317 51.5981 -5.6019 3 693.6663489 89503 303812853 812754 a-Alanine, conf. II
129078.5853 69.5041 -5.3853 3 562.3209435 89503 303723043 722844 a-Alanine, conf. II
129142.2457 0.6735 -5.1673 3 319.4968345 89503 303571344 571245 a-Alanine, conf. II
129142.2457 0.6735 -4.6299 3 319.4968345 89503 303571344 571345 a-Alanine, conf. II
129142.2458 0.6735 -4.6299 3 319.4968345 89503 303571444 571245 a-Alanine, conf. II
129142.2458 0.6735 -5.1673 3 319.4968345 89503 303571444 571345 a-Alanine, conf. II
129150.1151 1.0989 -5.1772 3 193.7726255 89503 303421923 421726 a-Alanine, conf. II
129160.5748 3.2877 -5.1755 3 242.7569261 89503 303433112 433013 a-Alanine, conf. II
129160.5748 3.2877 -5.1755 3 242.7569261 89503 303433113 433014 a-Alanine, conf. II
129216.4394 50.3366 -5.6008 3 693.6672489 89503 303812953 812854 a-Alanine, conf. II
129235.9880 0.1180 -3.4367 3 58.0260165 89503 30327 126 26 125 a-Alanine, conf. II
129235.9880 0.1180 -4.5584 3 58.0260165 89503 30327 126 26 225 a-Alanine, conf. II
129235.9880 0.1180 -4.5584 3 58.0260165 89503 30327 226 26 125 a-Alanine, conf. II
129235.9880 0.1180 -3.4367 3 58.0260165 89503 30327 226 26 225 a-Alanine, conf. II
129241.3475 22.7516 -5.6696 3 740.3849495 89503 303823745 823646 a-Alanine, conf. II
129242.7100 50.1269 -5.2162 3 693.6663489 89503 303812953 812754 a-Alanine, conf. II
129246.2484 0.9821 -5.1756 3 185.5611249 89503 303411922 411725 a-Alanine, conf. II
129254.1109 0.8882 -5.2682 3 138.4469213 89503 303351817 351620 a-Alanine, conf. II
129285.7988 0.0276 -4.9821 3 52.8972141 89503 30323 716 22 815 a-Alanine, conf. II
129296.2016 3.9929 -5.2449 3 443.2240375 89503 303623329 623230 a-Alanine, conf. II
129296.2434 3.9928 -5.2449 3 443.2240375 89503 303623330 623231 a-Alanine, conf. II
129331.5227 13.1335 -4.8536 3 492.7455417 89503 303692148 692149 a-Alanine, conf. II
129331.6110 13.1332 -5.3154 3 492.7455417 89503 303692148 692049 a-Alanine, conf. II
129332.4460 13.1305 -5.3154 3 492.7455417 89503 303692248 692149 a-Alanine, conf. II
129332.5344 13.1302 -4.8536 3 492.7455417 89503 303692248 692049 a-Alanine, conf. II
129350.1383 5.6201 -5.3426 3 523.0330411 89503 303683434 683335 a-Alanine, conf. II
129351.4564 5.6136 -5.3426 3 523.0329411 89503 303683435 683336 a-Alanine, conf. II
129371.8474 2.1091 -5.1703 3 267.6070321 89503 303531043 53 944 a-Alanine, conf. II
129371.8474 2.1091 -4.6076 3 267.6070321 89503 303531043 531044 a-Alanine, conf. II
129371.8474 2.1091 -4.6076 3 267.6070321 89503 303531143 53 944 a-Alanine, conf. II
129371.8474 2.1091 -5.1703 3 267.6070321 89503 303531143 531044 a-Alanine, conf. II
129437.4530 3.3324 -5.1891 3 234.6189255 89503 303423111 423012 a-Alanine, conf. II
129437.4530 3.3324 -5.1891 3 234.6189255 89503 303423112 423013 a-Alanine, conf. II
129467.5337 3.1085 -5.6161 3 152.1770261 89503 30343 241 43 142 a-Alanine, conf. II
129467.5337 3.1085 -4.9949 3 152.1770261 89503 30343 241 43 242 a-Alanine, conf. II
129467.5337 3.1085 -4.9949 3 152.1770261 89503 30343 341 43 142 a-Alanine, conf. II
129467.5337 3.1085 -5.6161 3 152.1770261 89503 30343 341 43 242 a-Alanine, conf. II
129471.2098 24.5870 -4.9901 3 572.9903447 89503 303742450 742451 a-Alanine, conf. II
129472.5211 24.5806 -5.4204 3 572.9903447 89503 303742450 742351 a-Alanine, conf. II
129482.7548 24.5305 -5.4203 3 572.9903447 89503 303742550 742451 a-Alanine, conf. II
129484.0660 24.5242 -4.9900 3 572.9903447 89503 303742550 742351 a-Alanine, conf. II
129486.9412 3.3115 -5.1616 3 349.4383327 89503 303543222 543123 a-Alanine, conf. II
129486.9413 3.3115 -5.1616 3 349.4383327 89503 303543223 543124 a-Alanine, conf. II
129511.3816 0.0252 -4.7054 3 56.4295153 89503 30325 421 24 520 a-Alanine, conf. II
129511.4166 0.0252 -3.4937 3 56.4295153 89503 30325 521 24 520 a-Alanine, conf. II
129511.4844 0.0252 -3.4937 3 56.4295153 89503 30325 421 24 420 a-Alanine, conf. II
129511.5193 0.0252 -4.7054 3 56.4295153 89503 30325 521 24 420 a-Alanine, conf. II
129515.6429 19.8151 -5.6678 3 740.3741495 89503 303823746 823647 a-Alanine, conf. II
129539.8954 62.3203 -5.2825 3 729.4661501 89503 303832954 832955 a-Alanine, conf. II
129583.8354 61.9215 -5.6563 3 729.4646501 89503 303832954 832855 a-Alanine, conf. II
129590.8853 8.5311 -5.4434 3 595.7918441 89503 303733538 733439 a-Alanine, conf. II
129595.4868134.2848 -5.5814 3 881.2347549 89503 303913358 913359 a-Alanine, conf. II
129603.0186 8.4492 -5.4433 3 595.7913441 89503 303733539 733440 a-Alanine, conf. II
129605.7105 0.2553 -4.6060 3 82.3398141 89503 3032322 1 2222 0 a-Alanine, conf. II
129605.7105 0.2553 -4.6060 3 82.3398141 89503 3032322 2 2222 1 a-Alanine, conf. II
129694.1057 3.3776 -5.2061 3 226.6759249 89503 303413110 413011 a-Alanine, conf. II
129694.1057 3.3776 -5.2061 3 226.6759249 89503 303413111 413012 a-Alanine, conf. II
129704.7103 0.1211 -4.8971 3 26.9723 93 89503 3031511 5 1410 4 a-Alanine, conf. II
129705.2773 0.1211 -4.8971 3 26.9723 93 89503 3031511 4 1410 5 a-Alanine, conf. II
129707.3911 1.7189 -5.1852 3 359.7420363 89503 303601545 601446 a-Alanine, conf. II
129707.3911 1.7189 -4.6650 3 359.7420363 89503 303601545 601546 a-Alanine, conf. II
129707.3921 1.7189 -5.1852 3 359.7420363 89503 303601645 601546 a-Alanine, conf. II
129707.3922 1.7189 -4.6650 3 359.7420363 89503 303601645 601446 a-Alanine, conf. II
129724.1432 0.2270 -4.3075 3 79.2510141 89503 3032321 2 2221 1 a-Alanine, conf. II
129724.1432 0.2270 -4.3075 3 79.2510141 89503 3032321 3 2221 2 a-Alanine, conf. II
129784.5054 2.1817 -5.3350 3 173.5209243 89503 303401723 401526 a-Alanine, conf. II
129829.5046 0.0619 -5.4251 3 17.4656 81 89503 30313 8 5 12 6 6 a-Alanine, conf. II
129840.4641 59.6556 -5.6546 3 729.4661501 89503 303833054 832955 a-Alanine, conf. II
129844.6182 3.1200 -5.2582 3 206.9162291 89503 30348 642 48 543 a-Alanine, conf. II
129844.6182 3.1200 -4.6646 3 206.9162291 89503 30348 642 48 643 a-Alanine, conf. II
129844.6182 3.1200 -4.6646 3 206.9162291 89503 30348 742 48 543 a-Alanine, conf. II
129844.6182 3.1200 -5.2582 3 206.9162291 89503 30348 742 48 643 a-Alanine, conf. II
129849.2540 8.0467 -4.7778 3 446.3836399 89503 303661947 661948 a-Alanine, conf. II
129849.2634 8.0467 -5.2605 3 446.3836399 89503 303661947 661848 a-Alanine, conf. II
129849.3657 8.0465 -5.2605 3 446.3836399 89503 303662047 661948 a-Alanine, conf. II
129849.3750 8.0464 -4.7778 3 446.3836399 89503 303662047 661848 a-Alanine, conf. II
129861.4737 0.2000 -4.1343 3 76.3100141 89503 3032320 3 2220 2 a-Alanine, conf. II
129861.4737 0.2000 -4.1343 3 76.3100141 89503 3032320 4 2220 3 a-Alanine, conf. II
129876.6687 0.2154 -5.6346 3 102.6780189 89503 303311319 301416 a-Alanine, conf. II
129884.4041 59.2569 -5.2802 3 729.4646501 89503 303833054 832855 a-Alanine, conf. II
129888.4400 75.0050 -5.3510 3 766.1248513 89503 303853055 853056 a-Alanine, conf. II
129931.7157 3.4232 -5.2270 3 218.9275243 89503 3034031 9 403010 a-Alanine, conf. II
129931.7157 3.4232 -5.2270 3 218.9275243 89503 303403110 403011 a-Alanine, conf. II
129956.6056 4.3272 -4.7147 3 402.0431381 89503 303631746 631747 a-Alanine, conf. II
129956.6064 4.3272 -5.2168 3 402.0431381 89503 303631746 631647 a-Alanine, conf. II
129956.6172 4.3272 -5.2168 3 402.0431381 89503 303631846 631747 a-Alanine, conf. II
129956.6181 4.3272 -4.7147 3 402.0431381 89503 303631846 631647 a-Alanine, conf. II
129961.1155 74.2594 -5.7139 3 766.1224513 89503 303853055 852956 a-Alanine, conf. II
129965.4738109.8222 -5.5001 3 842.0116537 89503 303893257 893258 a-Alanine, conf. II
130011.2613 0.0435 -3.5869 3 51.2103135 89503 303221012 211011 a-Alanine, conf. II
130022.0398 0.1742 -4.0127 3 73.5176141 89503 3032319 4 2219 3 a-Alanine, conf. II
130022.0398 0.1742 -4.0127 3 73.5176141 89503 3032319 5 2219 4 a-Alanine, conf. II
130024.7760 3.3218 -5.1551 3 339.1408321 89503 303533221 533122 a-Alanine, conf. II
130024.7761 3.3218 -5.1551 3 339.1408321 89503 303533222 533123 a-Alanine, conf. II
130044.2005 90.5212 -5.4234 3 803.6408525 89503 303873156 873157 a-Alanine, conf. II
130052.4670 3.1060 -5.2599 3 141.0747255 89503 30342 141 42 142 a-Alanine, conf. II
130052.4670 3.1060 -5.2599 3 141.0747255 89503 30342 241 42 042 a-Alanine, conf. II
130096.4988 0.0174 -3.5441 3 52.8972141 89503 30323 816 22 815 a-Alanine, conf. II
130110.4323 3.8742 -5.2295 3 431.3311369 89503 303613328 613229 a-Alanine, conf. II
130110.4472 3.8742 -5.2295 3 431.3311369 89503 303613329 613230 a-Alanine, conf. II
130143.6151 0.5407 -5.3776 3 128.5411213 89503 303351223 341420 a-Alanine, conf. II
130151.3965 3.4689 -5.2525 3 211.3733237 89503 3033931 8 3930 9 a-Alanine, conf. II
130151.3965 3.4689 -5.2525 3 211.3733237 89503 3033931 9 393010 a-Alanine, conf. II
130152.5612 2.3835 -5.1930 3 196.0866255 89503 303422023 421824 a-Alanine, conf. II
130211.5850 0.1497 -3.9195 3 70.8746141 89503 3032318 5 2218 4 a-Alanine, conf. II
130211.5850 0.1497 -3.9195 3 70.8746141 89503 3032318 6 2218 5 a-Alanine, conf. II
130286.9068 58.2899 -5.3423 3 517.2443417 89503 303692941 692742 a-Alanine, conf. II
130293.3570 0.7885 -5.5202 3 93.0923171 89503 303281712 281513 a-Alanine, conf. II
130316.8873 0.7880 -5.5200 3 93.0915171 89503 303281711 281514 a-Alanine, conf. II
130354.1983 3.5145 -5.2838 3 204.0128231 89503 3033831 7 3830 8 a-Alanine, conf. II
130354.1983 3.5145 -5.2838 3 204.0128231 89503 3033831 8 3830 9 a-Alanine, conf. II
130365.1054 70.2607 -5.7112 3 766.1248513 89503 303853155 853056 a-Alanine, conf. II
130366.3111 1.2428 -5.1635 3 305.0754339 89503 303561244 561145 a-Alanine, conf. II
130366.3111 1.2428 -4.6166 3 305.0754339 89503 303561244 561245 a-Alanine, conf. II
130366.3111 1.2428 -4.6166 3 305.0754339 89503 303561344 561145 a-Alanine, conf. II
130366.3111 1.2428 -5.1635 3 305.0754339 89503 303561344 561245 a-Alanine, conf. II
130378.4642 2.5782 -5.1804 3 254.1170315 89503 30352 943 52 844 a-Alanine, conf. II
130378.4642 2.5782 -4.6092 3 254.1170315 89503 30352 943 52 944 a-Alanine, conf. II
130378.4642 2.5782 -4.6092 3 254.1170315 89503 303521043 52 844 a-Alanine, conf. II
130378.4642 2.5782 -5.1804 3 254.1170315 89503 303521043 52 944 a-Alanine, conf. II
130424.6310 5.2200 -5.3213 3 509.9333405 89503 303673433 673334 a-Alanine, conf. II
130425.1540 5.2176 -5.3213 3 509.9333405 89503 303673434 673335 a-Alanine, conf. II
130437.7809 69.5154 -5.3474 3 766.1224513 89503 303853155 852956 a-Alanine, conf. II
130437.8980 0.1265 -3.8444 3 68.3823141 89503 3032317 7 2217 6 a-Alanine, conf. II
130437.8981 0.1265 -3.8444 3 68.3823141 89503 3032317 6 2217 5 a-Alanine, conf. II
130503.5832 1.0263 -5.1822 3 177.5385243 89503 303401921 401724 a-Alanine, conf. II
130527.4076 3.3402 -5.1500 3 329.0431315 89503 303523220 523121 a-Alanine, conf. II
130527.4076 3.3402 -5.1500 3 329.0431315 89503 303523221 523122 a-Alanine, conf. II
130527.7265 29.9792 -5.0413 3 605.7429459 89503 303762551 762552 a-Alanine, conf. II
130530.0643 29.9661 -5.4628 3 605.7428459 89503 303762551 762452 a-Alanine, conf. II
130541.1141 3.5599 -5.3221 3 196.8458225 89503 3033731 6 3730 7 a-Alanine, conf. II
130541.1141 3.5599 -5.3221 3 196.8458225 89503 3033731 7 3730 8 a-Alanine, conf. II
130547.4532 29.8675 -5.4627 3 605.7429459 89503 303762651 762552 a-Alanine, conf. II
130549.7910 29.8544 -5.0412 3 605.7428459 89503 303762651 762452 a-Alanine, conf. II
130594.0097 0.0558 -5.0743 3 30.4818105 89503 30317 9 9 16 8 8 a-Alanine, conf. II
130615.9078 3.3047 -5.3050 3 194.6071285 89503 30347 542 47 443 a-Alanine, conf. II
130615.9078 3.3047 -4.7040 3 194.6071285 89503 30347 542 47 543 a-Alanine, conf. II
130615.9078 3.3047 -4.7040 3 194.6071285 89503 30347 642 47 443 a-Alanine, conf. II
130615.9078 3.3047 -5.3050 3 194.6071285 89503 30347 642 47 543 a-Alanine, conf. II
130628.0734 0.9240 -5.3003 3 131.6605207 89503 303341817 341618 a-Alanine, conf. II
130630.3773 12.4115 -5.5331 3 658.4900465 89503 303773641 773542 a-Alanine, conf. II
130672.0221 12.0564 -5.5328 3 658.4884465 89503 303773642 773543 a-Alanine, conf. II
130680.7817 16.5191 -4.8954 3 523.2924429 89503 303712249 712250 a-Alanine, conf. II
130680.9489 16.5185 -5.3490 3 523.2924429 89503 303712249 712150 a-Alanine, conf. II
130682.4515 16.5127 -5.3490 3 523.2924429 89503 303712349 712250 a-Alanine, conf. II
130682.6188 16.5121 -4.8954 3 523.2924429 89503 303712349 712150 a-Alanine, conf. II
130690.1017 0.2026 -3.4051 3 59.5799171 89503 30328 028 27 027 a-Alanine, conf. II
130690.1017 0.2026 -4.5064 3 59.5799171 89503 30328 028 27 127 a-Alanine, conf. II
130690.1017 0.2026 -4.5064 3 59.5799171 89503 30328 128 27 027 a-Alanine, conf. II
130690.1017 0.2026 -3.4051 3 59.5799171 89503 30328 128 27 127 a-Alanine, conf. II
130711.8596 0.1045 -3.7817 3 66.0424141 89503 3032316 8 2216 7 a-Alanine, conf. II
130711.8610 0.1045 -3.7817 3 66.0424141 89503 3032316 7 2216 6 a-Alanine, conf. II
130713.0847 3.6048 -5.3697 3 189.8717219 89503 3033631 5 3630 6 a-Alanine, conf. II
130713.0847 3.6048 -5.3697 3 189.8717219 89503 3033631 6 3630 7 a-Alanine, conf. II
130806.5624 0.0850 -4.9648 3 28.5068 99 89503 3031610 7 15 9 6 a-Alanine, conf. II
130836.1426 1.7008 -5.1915 3 202.1631261 89503 303431924 431727 a-Alanine, conf. II
130859.1822 0.0853 -4.9645 3 28.5053 99 89503 3031610 6 15 9 7 a-Alanine, conf. II
130871.0026 3.6492 -5.4297 3 183.0903213 89503 3033531 4 3530 5 a-Alanine, conf. II
130871.0026 3.6492 -5.4297 3 183.0903213 89503 3033531 5 3530 6 a-Alanine, conf. II
130871.2926 3.7878 -5.2152 3 419.6425363 89503 303603327 603228 a-Alanine, conf. II
130871.2978 3.7878 -5.2152 3 419.6425363 89503 303603328 603229 a-Alanine, conf. II
130910.4585 80.8461 -5.4179 3 803.6368525 89503 303873256 873057 a-Alanine, conf. II
130921.5589 7.6210 -5.4174 3 581.6820435 89503 303723537 723438 a-Alanine, conf. II
130926.7432 7.5875 -5.4173 3 581.6818435 89503 303723538 723439 a-Alanine, conf. II
130936.7931 0.1625 -5.5083 3 77.2244165 89503 303271116 261215 a-Alanine, conf. II
130938.4940 0.0444 -4.6355 3 58.5862159 89503 30326 323 25 422 a-Alanine, conf. II
130938.4943 0.0444 -3.4617 3 58.5862159 89503 30326 423 25 422 a-Alanine, conf. II
130938.4951 0.0444 -3.4617 3 58.5862159 89503 30326 323 25 322 a-Alanine, conf. II
130938.4955 0.0444 -4.6355 3 58.5862159 89503 30326 423 25 322 a-Alanine, conf. II
130987.0953 0.0158 -3.5369 3 52.8404141 89503 30323 716 22 715 a-Alanine, conf. II
130997.0841 3.3652 -5.1464 3 319.1447309 89503 303513219 513120 a-Alanine, conf. II
130997.0841 3.3652 -5.1464 3 319.1447309 89503 303513220 513121 a-Alanine, conf. II
131015.7166 3.6930 -5.5077 3 176.5012207 89503 3033431 3 3430 4 a-Alanine, conf. II
131015.7166 3.6930 -5.5077 3 176.5012207 89503 3033431 4 3430 5 a-Alanine, conf. II
131049.2625 0.0840 -3.7282 3 63.8573141 89503 3032315 9 2215 8 a-Alanine, conf. II
131049.2980 0.0840 -3.7282 3 63.8573141 89503 3032315 8 2215 7 a-Alanine, conf. II
131094.8370 0.8069 -5.1745 3 344.6231357 89503 303591445 591346 a-Alanine, conf. II
131094.8370 0.8069 -4.6441 3 344.6231357 89503 303591445 591446 a-Alanine, conf. II
131094.8372 0.8069 -4.6441 3 344.6231357 89503 303591545 591346 a-Alanine, conf. II
131094.8372 0.8069 -5.1745 3 344.6231357 89503 303591545 591446 a-Alanine, conf. II
131148.0344 3.7361 -5.6138 3 170.1041201 89503 3033331 2 3330 3 a-Alanine, conf. II
131148.0344 3.7361 -5.6138 3 170.1041201 89503 3033331 3 3330 4 a-Alanine, conf. II
131243.2168 18.8095 -5.6342 3 724.4398489 89503 303813744 813645 a-Alanine, conf. II
131316.2477 93.0536 -5.4914 3 842.0052537 89503 303893357 893158 a-Alanine, conf. II
131318.5706 2.9757 -5.1966 3 240.8548309 89503 30351 843 51 744 a-Alanine, conf. II
131318.5706 2.9757 -4.6173 3 240.8548309 89503 30351 843 51 844 a-Alanine, conf. II
131318.5706 2.9757 -4.6173 3 240.8548309 89503 30351 943 51 744 a-Alanine, conf. II
131318.5706 2.9757 -5.1966 3 240.8548309 89503 30351 943 51 844 a-Alanine, conf. II
131336.3160 3.4378 -5.3702 3 182.5328279 89503 30346 442 46 343 a-Alanine, conf. II
131336.3160 3.4378 -4.7620 3 182.5328279 89503 30346 442 46 443 a-Alanine, conf. II
131336.3160 3.4378 -4.7620 3 182.5328279 89503 30346 542 46 343 a-Alanine, conf. II
131336.3160 3.4378 -5.3702 3 182.5328279 89503 30346 542 46 443 a-Alanine, conf. II
131374.7119 10.5067 -4.8134 3 475.5874411 89503 303682048 682049 a-Alanine, conf. II
131374.7305 10.5066 -5.2883 3 475.5874411 89503 303682048 681949 a-Alanine, conf. II
131374.8234 17.4296 -5.6333 3 724.4346489 89503 303813745 813646 a-Alanine, conf. II
131374.9237 10.5061 -5.2883 3 475.5874411 89503 303682148 682049 a-Alanine, conf. II
131374.9424 10.5060 -4.8134 3 475.5874411 89503 303682148 681949 a-Alanine, conf. II
131379.4193 0.8909 -5.2959 3 131.6357207 89503 303341816 341619 a-Alanine, conf. II
131401.3367 0.0175 -4.8338 3 55.7352147 89503 30324 618 23 717 a-Alanine, conf. II
131425.5118 4.9058 -5.3012 3 497.0419399 89503 303663432 663333 a-Alanine, conf. II
131425.7139 4.9049 -5.3012 3 497.0419399 89503 303663433 663334 a-Alanine, conf. II
131434.5298 0.0172 -3.5144 3 55.7352147 89503 30324 718 23 717 a-Alanine, conf. II
131435.8617 3.3957 -5.1443 3 309.4450303 89503 303503218 503119 a-Alanine, conf. II
131435.8617 3.3957 -5.1443 3 309.4450303 89503 303503219 503120 a-Alanine, conf. II
131446.2040 0.3400 -5.2728 3 121.6936207 89503 303341222 331419 a-Alanine, conf. II
131474.0497 0.0650 -3.6817 3 61.8303141 89503 303231410 2214 9 a-Alanine, conf. II
131474.7339 0.0650 -3.6817 3 61.8304141 89503 3032314 9 2214 8 a-Alanine, conf. II
131483.3676 0.0168 -3.5141 3 55.7324147 89503 30324 618 23 617 a-Alanine, conf. II
131492.1503 36.2979 -5.0959 3 639.3647471 89503 303782652 782653 a-Alanine, conf. II
131496.2631 36.2712 -5.5082 3 639.3645471 89503 303782652 782553 a-Alanine, conf. II
131507.7942 1.8909 -5.1637 3 290.8760333 89503 303551144 551045 a-Alanine, conf. II
131507.7942 1.8909 -4.6078 3 290.8760333 89503 303551144 551145 a-Alanine, conf. II
131507.7942 1.8909 -4.6078 3 290.8760333 89503 303551244 551045 a-Alanine, conf. II
131507.7942 1.8909 -5.1637 3 290.8760333 89503 303551244 551145 a-Alanine, conf. II
131516.5608 0.0166 -4.8330 3 55.7324147 89503 30324 718 23 617 a-Alanine, conf. II
131525.4372 36.0812 -5.5081 3 639.3647471 89503 303782752 782653 a-Alanine, conf. II
131527.3160 0.8119 -5.5803 3 87.7134165 89503 303271711 271512 a-Alanine, conf. II
131529.5500 36.0544 -5.0956 3 639.3645471 89503 303782752 782553 a-Alanine, conf. II
131530.1631 2.8475 -4.6871 3 386.2350375 89503 303621646 621647 a-Alanine, conf. II
131530.1632 2.8475 -5.2001 3 386.2350375 89503 303621646 621547 a-Alanine, conf. II
131530.1653 2.8475 -5.2001 3 386.2350375 89503 303621746 621647 a-Alanine, conf. II
131530.1654 2.8475 -4.6871 3 386.2350375 89503 303621746 621547 a-Alanine, conf. II
131535.1381 0.8117 -5.5802 3 87.7132165 89503 303271710 271513 a-Alanine, conf. II
131577.5749 47.1624 -5.3035 3 474.0285399 89503 303662839 662640 a-Alanine, conf. II
131582.8345 3.7275 -5.2021 3 408.1574357 89503 303593326 593227 a-Alanine, conf. II
131582.8363 3.7275 -5.2021 3 408.1574357 89503 303593327 593228 a-Alanine, conf. II
131615.1393 0.0729 -5.2563 3 29.4307105 89503 30317 8 9 16 710 a-Alanine, conf. II
131638.1360 6.0575 -4.7438 3 429.8954393 89503 303651847 651848 a-Alanine, conf. II
131638.1378 6.0575 -5.2384 3 429.8954393 89503 303651847 651748 a-Alanine, conf. II
131638.1594 6.0575 -5.2384 3 429.8954393 89503 303651947 651848 a-Alanine, conf. II
131638.1612 6.0575 -4.7438 3 429.8954393 89503 303651947 651748 a-Alanine, conf. II
131677.8161105.7167 -5.5681 3 881.2244549 89503 303913458 913259 a-Alanine, conf. II
131797.7953 0.0227 -4.9613 3 52.8404141 89503 30323 816 22 715 a-Alanine, conf. II
131845.6290 3.4306 -5.1439 3 299.9434297 89503 303493217 493118 a-Alanine, conf. II
131845.6290 3.4306 -5.1439 3 299.9434297 89503 303493218 493119 a-Alanine, conf. II
131884.6906 0.0209 -3.5367 3 49.4793135 89503 30322 814 21 813 a-Alanine, conf. II
131893.8571 0.0662 -4.8995 3 25.2741 99 89503 30316 7 9 15 510 a-Alanine, conf. II
131935.9658 0.0671 -5.4238 3 17.3935 81 89503 30313 8 6 12 6 7 a-Alanine, conf. II
131955.2462 20.5156 -4.9405 3 554.7151441 89503 303732350 732351 a-Alanine, conf. II
131955.5577 20.5143 -5.3859 3 554.7150441 89503 303732350 732251 a-Alanine, conf. II
131956.8156 1.0012 -5.4248 3 138.5020219 89503 303361422 351619 a-Alanine, conf. II
131958.2216 20.5023 -5.3859 3 554.7151441 89503 303732450 732351 a-Alanine, conf. II
131958.5331 20.5009 -4.9405 3 554.7150441 89503 303732450 732251 a-Alanine, conf. II
132009.2623 3.5235 -5.4640 3 170.6946273 89503 30345 342 45 243 a-Alanine, conf. II
132009.2623 3.5235 -4.8490 3 170.6946273 89503 30345 342 45 343 a-Alanine, conf. II
132009.2623 3.5235 -4.8490 3 170.6946273 89503 30345 442 45 243 a-Alanine, conf. II
132009.2623 3.5235 -5.4640 3 170.6946273 89503 30345 442 45 343 a-Alanine, conf. II
132022.3830 0.0481 -3.6403 3 59.9665141 89503 303231311 221310 a-Alanine, conf. II
132030.1378118.0649 -5.6478 3 921.2910561 89503 303933559 933360 a-Alanine, conf. II
132032.4812 0.0482 -3.6402 3 59.9667141 89503 303231310 2213 9 a-Alanine, conf. II
132036.6814 1.3040 -5.2251 3 162.1798231 89503 303381920 381721 a-Alanine, conf. II
132075.0816 1.5104 -5.7056 3 215.0384273 89503 303451729 441926 a-Alanine, conf. II
132077.9052 2.6194 -5.2735 3 191.6809255 89503 303421824 421627 a-Alanine, conf. II
132137.7364 0.2901 -5.5822 3 96.8063183 89503 303301317 291416 a-Alanine, conf. II
132154.2397 6.9005 -5.3927 3 567.7841429 89503 303713536 713437 a-Alanine, conf. II
132156.3994 6.8873 -5.3927 3 567.7841429 89503 303713537 713438 a-Alanine, conf. II
132168.9711 10.8062 -5.5035 3 643.5757459 89503 303763640 763541 a-Alanine, conf. II
132187.5943 10.6528 -5.5034 3 643.5750459 89503 303763641 763542 a-Alanine, conf. II
132197.2202 3.3048 -5.2205 3 227.8224303 89503 30350 743 50 644 a-Alanine, conf. II
132197.2202 3.3048 -4.6334 3 227.8224303 89503 30350 743 50 744 a-Alanine, conf. II
132197.2202 3.3048 -4.6334 3 227.8224303 89503 30350 843 50 644 a-Alanine, conf. II
132197.2202 3.3048 -5.2205 3 227.8224303 89503 30350 843 50 744 a-Alanine, conf. II
132204.2269 0.0466 -5.3727 3 18.1568 87 89503 30314 6 9 13 410 a-Alanine, conf. II
132218.9368 0.0541 -5.2833 3 19.0537 87 89503 30314 7 8 13 5 9 a-Alanine, conf. II
132228.1272 3.4690 -5.1453 3 290.6393291 89503 303483216 483117 a-Alanine, conf. II
132228.1272 3.4690 -5.1453 3 290.6393291 89503 303483217 483118 a-Alanine, conf. II
132248.6516 3.6885 -5.1903 3 396.8750351 89503 303583325 583226 a-Alanine, conf. II
132248.6522 3.6885 -5.1903 3 396.8750351 89503 303583326 583227 a-Alanine, conf. II
132357.9336 43.6978 -5.1537 3 673.8536483 89503 303802753 802754 a-Alanine, conf. II
132359.4760 4.6605 -5.2823 3 484.3575393 89503 303653431 653332 a-Alanine, conf. II
132359.5521 4.6602 -5.2823 3 484.3575393 89503 303653432 653333 a-Alanine, conf. II
132365.0783 43.6444 -5.5568 3 673.8534483 89503 303802753 802654 a-Alanine, conf. II
132380.1119 0.0654 -5.0679 3 30.4358105 89503 30317 9 8 16 8 9 a-Alanine, conf. II
132386.6341 0.0833 -3.4301 3 60.5536165 89503 30327 225 26 224 a-Alanine, conf. II
132386.6341 0.0833 -4.5744 3 60.5536165 89503 30327 225 26 324 a-Alanine, conf. II
132386.6341 0.0833 -4.5744 3 60.5536165 89503 30327 325 26 224 a-Alanine, conf. II
132386.6341 0.0833 -3.4301 3 60.5536165 89503 30327 325 26 324 a-Alanine, conf. II
132386.9847 0.8446 -5.1670 3 329.7218351 89503 303581345 581246 a-Alanine, conf. II
132386.9847 0.8446 -4.6270 3 329.7218351 89503 303581345 581346 a-Alanine, conf. II
132386.9847 0.8446 -4.6270 3 329.7218351 89503 303581445 581246 a-Alanine, conf. II
132386.9847 0.8446 -5.1670 3 329.7218351 89503 303581445 581346 a-Alanine, conf. II
132393.7507 3.7919 -5.1779 3 224.1920273 89503 303452125 451926 a-Alanine, conf. II
132413.4306 43.2848 -5.5565 3 673.8536483 89503 303802853 802754 a-Alanine, conf. II
132420.5753 43.2314 -5.1533 3 673.8534483 89503 303802853 802654 a-Alanine, conf. II
132429.0501 1.0674 -5.1944 3 169.7137237 89503 303391920 391723 a-Alanine, conf. II
132522.2246 0.2939 -5.6042 3 110.4858195 89503 303321419 311516 a-Alanine, conf. II
132573.7338 2.4777 -5.1683 3 276.9007327 89503 303541044 54 945 a-Alanine, conf. II
132573.7338 2.4777 -4.6038 3 276.9007327 89503 303541044 541045 a-Alanine, conf. II
132573.7338 2.4777 -4.6038 3 276.9007327 89503 303541144 54 945 a-Alanine, conf. II
132573.7338 2.4777 -5.1683 3 276.9007327 89503 303541144 541045 a-Alanine, conf. II
132584.9678 3.5102 -5.1487 3 281.5323285 89503 303473215 473116 a-Alanine, conf. II
132584.9678 3.5102 -5.1487 3 281.5323285 89503 303473216 473117 a-Alanine, conf. II
132597.6035 0.8375 -5.6482 3 82.5394159 89503 303261710 261511 a-Alanine, conf. II
132600.0326 0.8375 -5.6482 3 82.5393159 89503 3032617 9 261512 a-Alanine, conf. II
132637.8425 3.5657 -5.6096 3 159.0943267 89503 30344 242 44 143 a-Alanine, conf. II
132637.8425 3.5657 -4.9879 3 159.0943267 89503 30344 242 44 243 a-Alanine, conf. II
132637.8425 3.5657 -4.9879 3 159.0943267 89503 30344 342 44 143 a-Alanine, conf. II
132637.8425 3.5657 -5.6096 3 159.0943267 89503 30344 342 44 243 a-Alanine, conf. II
132662.4580 0.0210 -3.5371 3 54.1660141 89503 30323 915 22 914 a-Alanine, conf. II
132726.5962 0.0206 -4.7369 3 58.3482153 89503 30325 520 24 619 a-Alanine, conf. II
132727.3853 0.0206 -3.4846 3 58.3482153 89503 30325 620 24 619 a-Alanine, conf. II
132728.7628 0.0206 -3.4846 3 58.3481153 89503 30325 520 24 519 a-Alanine, conf. II
132729.2498 0.0346 -3.6030 3 58.2733141 89503 303231212 221211 a-Alanine, conf. II
132729.5519 0.0206 -4.7369 3 58.3481153 89503 30325 620 24 519 a-Alanine, conf. II
132755.7824 0.2253 -4.7746 3 27.4603 87 89503 3031413 2 1312 1 a-Alanine, conf. II
132755.7825 0.2253 -4.7746 3 27.4603 87 89503 3031413 1 1312 2 a-Alanine, conf. II
132824.5562 36.8003 -5.2689 3 432.6809381 89503 303632737 632538 a-Alanine, conf. II
132832.8869 13.4452 -4.8524 3 505.6708423 89503 303702149 702150 a-Alanine, conf. II
132832.9234 13.4451 -5.3195 3 505.6708423 89503 303702149 702050 a-Alanine, conf. II
132833.2820 13.4438 -5.3195 3 505.6708423 89503 303702249 702150 a-Alanine, conf. II
132833.3185 13.4437 -4.8524 3 505.6708423 89503 303702249 702050 a-Alanine, conf. II
132840.2948 0.0357 -3.6023 3 58.2753141 89503 303231211 221210 a-Alanine, conf. II
132848.9254 1.7236 -5.5501 3 159.2478237 89503 303391326 381523 a-Alanine, conf. II
132871.9529 3.6669 -5.1797 3 385.7945345 89503 303573324 573225 a-Alanine, conf. II
132871.9530 3.6669 -5.1797 3 385.7945345 89503 303573325 573226 a-Alanine, conf. II
132917.6472 3.5537 -5.1541 3 272.6219279 89503 303463214 463115 a-Alanine, conf. II
132917.6472 3.5537 -5.1541 3 272.6219279 89503 303463215 463116 a-Alanine, conf. II
132932.6592 0.0434 -3.5376 3 50.2231135 89503 30322 913 21 912 a-Alanine, conf. II
132992.3832 1.5797 -5.1862 3 370.6399369 89503 303611546 611447 a-Alanine, conf. II
132992.3832 1.5797 -4.6629 3 370.6399369 89503 303611546 611547 a-Alanine, conf. II
132992.3836 1.5797 -4.6629 3 370.6399369 89503 303611646 611447 a-Alanine, conf. II
132992.3836 1.5797 -5.1862 3 370.6399369 89503 303611646 611547 a-Alanine, conf. II
133018.8874 3.5695 -5.2540 3 215.0214297 89503 30349 643 49 544 a-Alanine, conf. II
133018.8874 3.5695 -4.6594 3 215.0214297 89503 30349 643 49 644 a-Alanine, conf. II
133018.8874 3.5695 -4.6594 3 215.0214297 89503 30349 743 49 544 a-Alanine, conf. II
133018.8874 3.5695 -5.2540 3 215.0214297 89503 30349 743 49 644 a-Alanine, conf. II
133042.5743 15.9238 -5.6008 3 708.7163483 89503 303803743 803644 a-Alanine, conf. II
133048.4077 0.9095 -5.3301 3 125.0467201 89503 303331816 331617 a-Alanine, conf. II
133082.0522 0.0581 -5.2906 3 20.0404 87 89503 30314 8 6 13 6 7 a-Alanine, conf. II
133104.0857 15.2951 -5.6004 3 708.7140483 89503 303803744 803645 a-Alanine, conf. II
133116.7201 52.3739 -5.2148 3 709.2075495 89503 303822854 822855 a-Alanine, conf. II
133128.9834 52.2691 -5.6084 3 709.2071495 89503 303822854 822755 a-Alanine, conf. II
133152.0248 25.2095 -4.9889 3 587.0114453 89503 303752451 752452 a-Alanine, conf. II
133152.5961 25.2066 -5.4259 3 587.0114453 89503 303752451 752352 a-Alanine, conf. II
133157.2531 25.1821 -5.4259 3 587.0114453 89503 303752551 752452 a-Alanine, conf. II
133157.8243 25.1791 -4.9889 3 587.0114453 89503 303752551 752352 a-Alanine, conf. II
133208.1770 51.6007 -5.6079 3 709.2075495 89503 303822954 822855 a-Alanine, conf. II
133220.4402 51.4959 -5.2141 3 709.2071495 89503 303822954 822755 a-Alanine, conf. II
133224.8745 3.5685 -5.2526 3 147.7331261 89503 30343 142 43 143 a-Alanine, conf. II
133224.8745 3.5685 -5.2526 3 147.7331261 89503 30343 242 43 043 a-Alanine, conf. II
133227.5595 3.5988 -5.1619 3 263.9075273 89503 303453213 453114 a-Alanine, conf. II
133227.5595 3.5988 -5.1619 3 263.9075273 89503 303453214 453115 a-Alanine, conf. II
133232.2383 4.4708 -5.2645 3 471.8792387 89503 303643430 643331 a-Alanine, conf. II
133232.2662 4.4707 -5.2645 3 471.8792387 89503 303643431 643332 a-Alanine, conf. II
133257.6671 8.1661 -4.7766 3 458.6312405 89503 303671948 671949 a-Alanine, conf. II
133257.6708 8.1661 -5.2638 3 458.6312405 89503 303671948 671849 a-Alanine, conf. II
133257.7129 8.1660 -5.2638 3 458.6312405 89503 303672048 671949 a-Alanine, conf. II
133257.7167 8.1660 -4.7766 3 458.6312405 89503 303672048 671849 a-Alanine, conf. II
133294.8683 4.2895 -4.7132 3 413.6151387 89503 303641747 641748 a-Alanine, conf. II
133294.8686 4.2895 -5.2190 3 413.6151387 89503 303641747 641648 a-Alanine, conf. II
133294.8729 4.2895 -5.2190 3 413.6151387 89503 303641847 641748 a-Alanine, conf. II
133294.8733 4.2895 -4.7132 3 413.6151387 89503 303641847 641648 a-Alanine, conf. II
133299.9856 6.3272 -5.3692 3 554.0966423 89503 303703535 703436 a-Alanine, conf. II
133300.8628 6.3220 -5.3692 3 554.0966423 89503 303703536 703437 a-Alanine, conf. II
133365.7355 0.8966 -5.3282 3 125.0362201 89503 303331815 331618 a-Alanine, conf. II
133455.6215 3.6595 -5.1704 3 374.9152339 89503 303563323 563224 a-Alanine, conf. II
133455.6215 3.6595 -5.1704 3 374.9152339 89503 303563324 563225 a-Alanine, conf. II
133497.4655 0.0271 -3.5699 3 56.7584141 89503 303231113 221112 a-Alanine, conf. II
133516.0074 3.6453 -5.1723 3 255.3888267 89503 303443212 443113 a-Alanine, conf. II
133516.0074 3.6453 -5.1723 3 255.3888267 89503 303443213 443114 a-Alanine, conf. II
133570.2389 2.9873 -5.1781 3 263.1516321 89503 30353 944 53 845 a-Alanine, conf. II
133570.2389 2.9873 -4.6053 3 263.1516321 89503 30353 944 53 945 a-Alanine, conf. II
133570.2389 2.9873 -4.6053 3 263.1516321 89503 303531044 53 845 a-Alanine, conf. II
133570.2389 2.9873 -5.1781 3 263.1516321 89503 303531044 53 945 a-Alanine, conf. II
133579.7780 0.3990 -5.6098 3 118.6521201 89503 303331519 321616 a-Alanine, conf. II
133585.6573 9.5495 -5.4754 3 628.8763453 89503 303753639 753540 a-Alanine, conf. II
133592.6190 1.5463 -5.1630 3 315.0406345 89503 303571245 571146 a-Alanine, conf. II
133592.6190 1.5463 -4.6138 3 315.0406345 89503 303571245 571246 a-Alanine, conf. II
133592.6190 1.5463 -4.6138 3 315.0406345 89503 303571345 571146 a-Alanine, conf. II
133592.6190 1.5463 -5.1630 3 315.0406345 89503 303571345 571246 a-Alanine, conf. II
133593.7794 9.4852 -5.4753 3 628.8760453 89503 303753640 753541 a-Alanine, conf. II
133757.6220 62.5803 -5.2792 3 745.4239507 89503 303842955 842956 a-Alanine, conf. II
133764.7055 0.0246 -3.5454 3 55.4118141 89503 303231014 221013 a-Alanine, conf. II
133778.4294 62.3783 -5.6630 3 745.4232507 89503 303842955 842856 a-Alanine, conf. II
133784.2115 3.6927 -5.1856 3 247.0652261 89503 303433211 433112 a-Alanine, conf. II
133784.2115 3.6927 -5.1856 3 247.0652261 89503 303433212 433113 a-Alanine, conf. II
133787.5624 3.7745 -5.3004 3 202.4536291 89503 30348 543 48 444 a-Alanine, conf. II
133787.5624 3.7745 -4.6986 3 202.4536291 89503 30348 543 48 544 a-Alanine, conf. II
133787.5624 3.7745 -4.6986 3 202.4536291 89503 30348 643 48 444 a-Alanine, conf. II
133787.5624 3.7745 -5.3004 3 202.4536291 89503 30348 643 48 544 a-Alanine, conf. II
133840.6155 0.1491 -3.3992 3 62.3369171 89503 30328 127 27 126 a-Alanine, conf. II
133840.6155 0.1491 -4.5197 3 62.3369171 89503 30328 127 27 226 a-Alanine, conf. II
133840.6155 0.1491 -4.5197 3 62.3369171 89503 30328 227 27 126 a-Alanine, conf. II
133840.6155 0.1491 -3.3992 3 62.3369171 89503 30328 227 27 226 a-Alanine, conf. II
133895.1851 27.6680 -5.2387 3 393.2087363 89503 303602635 602436 a-Alanine, conf. II
133906.6430 61.1568 -5.6622 3 745.4239507 89503 303843055 842956 a-Alanine, conf. II
133924.9831 6.0182 -5.1740 3 254.2002291 89503 303482227 482028 a-Alanine, conf. II
133927.4504 60.9548 -5.2782 3 745.4232507 89503 303843055 842856 a-Alanine, conf. II
134002.2622 3.6638 -5.1623 3 364.2364333 89503 303553322 553223 a-Alanine, conf. II
134002.2622 3.6638 -5.1623 3 364.2364333 89503 303553323 553224 a-Alanine, conf. II
134033.3188 3.7406 -5.2023 3 238.9364255 89503 303423210 423111 a-Alanine, conf. II
134033.3188 3.7406 -5.2023 3 238.9364255 89503 303423211 423112 a-Alanine, conf. II
134036.8025 0.5202 -5.6292 3 127.1648207 89503 303341619 331716 a-Alanine, conf. II
134048.7480 4.3262 -5.2480 3 459.6059381 89503 303633429 633330 a-Alanine, conf. II
134048.7579 4.3261 -5.2480 3 459.6059381 89503 303633430 633331 a-Alanine, conf. II
134053.4939 0.1649 -4.8208 3 28.4593 93 89503 3031512 4 1411 3 a-Alanine, conf. II
134053.5093 0.1649 -4.8208 3 28.4593 93 89503 3031512 3 1411 4 a-Alanine, conf. II
134113.0534 0.0312 -4.6594 3 60.7495159 89503 30326 422 25 521 a-Alanine, conf. II
134113.0652 0.0312 -3.4540 3 60.7495159 89503 30326 522 25 521 a-Alanine, conf. II
134113.0884 0.0312 -3.4540 3 60.7495159 89503 30326 422 25 421 a-Alanine, conf. II
134113.1002 0.0312 -4.6594 3 60.7495159 89503 30326 522 25 421 a-Alanine, conf. II
134123.0814 0.2099 -5.6437 3 108.7649195 89503 303321320 311417 a-Alanine, conf. II
134221.8916 16.9286 -4.8948 3 536.6321435 89503 303722250 722251 a-Alanine, conf. II
134221.9617 16.9283 -5.3541 3 536.6321435 89503 303722250 722151 a-Alanine, conf. II
134222.6169 16.9256 -5.3541 3 536.6321435 89503 303722350 722251 a-Alanine, conf. II
134222.6869 16.9254 -4.8948 3 536.6321435 89503 303722350 722151 a-Alanine, conf. II
134264.4093 3.7890 -5.2229 3 231.0020249 89503 3034132 9 413110 a-Alanine, conf. II
134264.4093 3.7890 -5.2229 3 231.0020249 89503 303413210 413111 a-Alanine, conf. II
134266.1883 74.6591 -5.3471 3 782.5005519 89503 303863056 863057 a-Alanine, conf. II
134267.7374 30.7002 -5.0405 3 620.1794465 89503 303772552 772553 a-Alanine, conf. II
134268.7704 30.6940 -5.4691 3 620.1793465 89503 303772552 772453 a-Alanine, conf. II
134276.8038 30.6451 -5.4690 3 620.1794465 89503 303772652 772553 a-Alanine, conf. II
134277.8368 30.6389 -5.0405 3 620.1793465 89503 303772652 772453 a-Alanine, conf. II
134345.1931 0.0349 -3.5641 3 56.7786141 89503 303231112 221111 a-Alanine, conf. II
134354.4830 0.7355 -5.1753 3 355.2604363 89503 303601446 601347 a-Alanine, conf. II
134354.4830 0.7355 -4.6422 3 355.2604363 89503 303601446 601447 a-Alanine, conf. II
134354.4831 0.7355 -4.6422 3 355.2604363 89503 303601546 601347 a-Alanine, conf. II
134354.4831 0.7355 -5.1753 3 355.2604363 89503 303601546 601447 a-Alanine, conf. II
134367.6486 5.8704 -5.3470 3 540.6182417 89503 303693534 693435 a-Alanine, conf. II
134367.9959 5.8685 -5.3470 3 540.6182417 89503 303693535 693436 a-Alanine, conf. II
134383.2276 0.6548 -5.6532 3 136.0181213 89503 303351719 341816 a-Alanine, conf. II
134390.3329 0.0220 -4.9020 3 57.2367147 89503 30324 717 23 816 a-Alanine, conf. II
134464.9489154.8007 -5.6562 3 939.3588567 89503 303943460 943461 a-Alanine, conf. II
134478.5028 3.8374 -5.2482 3 223.2615243 89503 3034032 8 4031 9 a-Alanine, conf. II
134478.5028 3.8374 -5.2482 3 223.2615243 89503 3034032 9 403110 a-Alanine, conf. II
134502.6588 3.4199 -5.1940 3 249.6304315 89503 30352 844 52 745 a-Alanine, conf. II
134502.6588 3.4199 -4.6133 3 249.6304315 89503 30352 844 52 845 a-Alanine, conf. II
134502.6588 3.4199 -4.6133 3 249.6304315 89503 30352 944 52 745 a-Alanine, conf. II
134502.6588 3.4199 -5.1940 3 249.6304315 89503 30352 944 52 845 a-Alanine, conf. II
134506.8259 3.9240 -5.3652 3 190.1205285 89503 30347 443 47 344 a-Alanine, conf. II
134506.8259 3.9240 -4.7564 3 190.1205285 89503 30347 443 47 444 a-Alanine, conf. II
134506.8259 3.9240 -4.7564 3 190.1205285 89503 30347 543 47 344 a-Alanine, conf. II
134506.8259 3.9240 -5.3652 3 190.1205285 89503 30347 543 47 444 a-Alanine, conf. II
134514.2400 3.6776 -5.1556 3 353.7575327 89503 303543321 543222 a-Alanine, conf. II
134514.2400 3.6776 -5.1556 3 353.7575327 89503 303543322 543223 a-Alanine, conf. II
134541.2374 71.6978 -5.3454 3 782.4994519 89503 303863156 862957 a-Alanine, conf. II
134544.6768 0.0526 -5.0849 3 33.8209111 89503 30318 910 17 8 9 a-Alanine, conf. II
134617.7316 0.6742 -5.6515 3 136.0178213 89503 303351718 341817 a-Alanine, conf. II
134622.9495 89.0844 -5.4185 3 820.4349531 89503 303883157 883158 a-Alanine, conf. II
134656.9996 20.0200 -5.2132 3 355.6186345 89503 303572533 572334 a-Alanine, conf. II
134658.1605 1.0821 -5.2110 3 162.0939231 89503 303381919 381722 a-Alanine, conf. II
134676.5638 3.8857 -5.2791 3 215.7146237 89503 3033932 7 3931 8 a-Alanine, conf. II
134676.5638 3.8857 -5.2791 3 215.7146237 89503 3033932 8 3931 9 a-Alanine, conf. II
134681.2818 13.7341 -5.5692 3 693.2114477 89503 303793742 793643 a-Alanine, conf. II
134709.3148 13.4559 -5.5690 3 693.2103477 89503 303793743 793644 a-Alanine, conf. II
134719.2578 2.2577 -5.1629 3 300.5817339 89503 303561145 561046 a-Alanine, conf. II
134719.2578 2.2577 -4.6049 3 300.5817339 89503 303561145 561146 a-Alanine, conf. II
134719.2578 2.2577 -4.6049 3 300.5817339 89503 303561245 561046 a-Alanine, conf. II
134719.2578 2.2577 -5.1629 3 300.5817339 89503 303561245 561146 a-Alanine, conf. II
134734.2177 0.0384 -5.5665 3 17.1318 87 89503 30314 410 13 211 a-Alanine, conf. II
134757.0635 0.0171 -3.5022 3 57.2367147 89503 30324 817 23 816 a-Alanine, conf. II
134765.2681127.9664 -5.5728 3 898.8666555 89503 303923359 923360 a-Alanine, conf. II
134769.8678 9.3187 -5.1797 3 286.1095309 89503 303512329 512130 a-Alanine, conf. II
134801.4004106.5298 -5.4937 3 859.2244543 89503 303903258 903259 a-Alanine, conf. II
134805.4247 0.8048 -5.6788 3 145.2092219 89503 303361819 351916 a-Alanine, conf. II
134813.3393 4.2183 -5.2325 3 447.5369375 89503 303623428 623329 a-Alanine, conf. II
134813.3427 4.2183 -5.2325 3 447.5369375 89503 303623429 623330 a-Alanine, conf. II
134813.3912 0.5643 -5.6234 3 127.1636207 89503 303341618 331717 a-Alanine, conf. II
134813.8715 10.7053 -4.8129 3 488.2486417 89503 303692049 692050 a-Alanine, conf. II
134813.8790 10.7053 -5.2926 3 488.2486417 89503 303692049 691950 a-Alanine, conf. II
134813.9598 10.7050 -5.2926 3 488.2486417 89503 303692149 692050 a-Alanine, conf. II
134813.9673 10.7050 -4.8129 3 488.2486417 89503 303692149 691950 a-Alanine, conf. II
134834.1855 2.7311 -4.6859 3 397.5455381 89503 303631647 631648 a-Alanine, conf. II
134834.1856 2.7311 -5.2022 3 397.5455381 89503 303631647 631548 a-Alanine, conf. II
134834.1864 2.7311 -4.6859 3 397.5455381 89503 303631747 631548 a-Alanine, conf. II
134834.1864 2.7311 -5.2022 3 397.5455381 89503 303631747 631648 a-Alanine, conf. II
134859.5066 3.9338 -5.3172 3 208.3610231 89503 3033832 6 3831 7 a-Alanine, conf. II
134859.5066 3.9338 -5.3172 3 208.3610231 89503 3033832 7 3831 8 a-Alanine, conf. II
134871.3515 0.8124 -5.6783 3 145.2092219 89503 303361818 351917 a-Alanine, conf. II
134897.1090 8.5506 -5.4486 3 614.3897447 89503 303743638 743539 a-Alanine, conf. II
134900.5649 8.5244 -5.4486 3 614.3896447 89503 303743639 743540 a-Alanine, conf. II
134953.1717 0.0538 -5.0406 3 58.5912147 89503 30324 816 23 915 a-Alanine, conf. II
134985.0800 13.9278 -5.1932 3 319.9171327 89503 303542431 542232 a-Alanine, conf. II
134993.7125 3.6994 -5.1503 3 343.4779321 89503 303533320 533221 a-Alanine, conf. II
134993.7125 3.6994 -5.1503 3 343.4779321 89503 303533321 533222 a-Alanine, conf. II
135000.5472 6.0769 -4.7431 3 441.8804399 89503 303661848 661849 a-Alanine, conf. II
135000.5479 6.0769 -5.2417 3 441.8804399 89503 303661848 661749 a-Alanine, conf. II
135000.5566 6.0769 -5.2417 3 441.8804399 89503 303661948 661849 a-Alanine, conf. II
135000.5573 6.0769 -4.7431 3 441.8804399 89503 303661948 661749 a-Alanine, conf. II
135014.5705 2.9592 -5.2245 3 210.7229267 89503 303441925 441728 a-Alanine, conf. II
135028.1996 3.9814 -5.3645 3 201.2001225 89503 3033732 5 3731 6 a-Alanine, conf. II
135028.1996 3.9814 -5.3645 3 201.2001225 89503 3033732 6 3731 7 a-Alanine, conf. II
135040.8750 0.9122 -5.3661 3 118.6521195 89503 303321815 321616 a-Alanine, conf. II
135063.6341 83.7749 -5.4158 3 820.4329531 89503 303883257 883058 a-Alanine, conf. II
135112.5943 1.2059 -5.1519 3 212.8758267 89503 303442024 441827 a-Alanine, conf. II
135167.4184 0.9074 -5.3653 3 118.6479195 89503 303321814 321617 a-Alanine, conf. II
135179.9110 4.0224 -5.4587 3 178.0236279 89503 30346 343 46 244 a-Alanine, conf. II
135179.9110 4.0224 -4.8431 3 178.0236279 89503 30346 343 46 344 a-Alanine, conf. II
135179.9110 4.0224 -4.8431 3 178.0236279 89503 30346 443 46 244 a-Alanine, conf. II
135179.9110 4.0224 -5.4587 3 178.0236279 89503 30346 443 46 344 a-Alanine, conf. II
135183.4683 4.0285 -5.4243 3 194.2318219 89503 3033632 4 3631 5 a-Alanine, conf. II
135183.4683 4.0285 -5.4243 3 194.2318219 89503 3033632 5 3631 6 a-Alanine, conf. II
135201.0328 0.0154 -3.4989 3 57.2097147 89503 30324 717 23 716 a-Alanine, conf. II
135229.5645 0.2929 -4.5846 3 89.8955147 89503 3032423 1 2323 0 a-Alanine, conf. II
135229.5645 0.2929 -4.5846 3 89.8955147 89503 3032423 2 2323 1 a-Alanine, conf. II
135280.7727 0.1180 -4.8762 3 29.8220 99 89503 3031611 6 1510 5 a-Alanine, conf. II
135283.5063 0.1180 -4.8761 3 29.8219 99 89503 3031611 5 1510 6 a-Alanine, conf. II
135292.7266 0.2513 -3.3689 3 63.9392177 89503 30329 029 28 028 a-Alanine, conf. II
135292.7266 0.2513 -4.4699 3 63.9392177 89503 30329 029 28 128 a-Alanine, conf. II
135292.7266 0.2513 -4.4699 3 63.9392177 89503 30329 129 28 028 a-Alanine, conf. II
135292.7266 0.2513 -3.3689 3 63.9392177 89503 30329 129 28 128 a-Alanine, conf. II
135298.3723 37.1036 -5.0953 3 654.2169477 89503 303792653 792654 a-Alanine, conf. II
135300.2153 37.0908 -5.5152 3 654.2169477 89503 303792653 792554 a-Alanine, conf. II
135313.8983 36.9951 -5.5151 3 654.2169477 89503 303792753 792654 a-Alanine, conf. II
135315.7413 36.9823 -5.0952 3 654.2169477 89503 303792753 792554 a-Alanine, conf. II
135326.0994 4.0750 -5.5020 3 187.4557213 89503 3033532 3 3531 4 a-Alanine, conf. II
135326.0994 4.0750 -5.5020 3 187.4557213 89503 3033532 4 3531 5 a-Alanine, conf. II
135346.7455 0.2620 -4.2854 3 86.6629147 89503 3032422 2 2322 1 a-Alanine, conf. II
135346.7455 0.2620 -4.2854 3 86.6629147 89503 3032422 3 2322 2 a-Alanine, conf. II
135364.5451 5.5075 -5.3259 3 527.3476411 89503 303683533 683434 a-Alanine, conf. II
135364.6792 5.5068 -5.3259 3 527.3476411 89503 303683534 683435 a-Alanine, conf. II
135375.7146 3.7792 -5.2175 3 236.3392309 89503 30351 744 51 645 a-Alanine, conf. II
135375.7146 3.7792 -4.6292 3 236.3392309 89503 30351 744 51 745 a-Alanine, conf. II
135375.7146 3.7792 -4.6292 3 236.3392309 89503 30351 844 51 645 a-Alanine, conf. II
135375.7146 3.7792 -5.2175 3 236.3392309 89503 30351 844 51 745 a-Alanine, conf. II
135384.0601 20.4380 -5.6740 3 760.7914501 89503 303833845 833746 a-Alanine, conf. II
135442.6563 3.7275 -5.1465 3 333.3970315 89503 303523319 523220 a-Alanine, conf. II
135442.6563 3.7275 -5.1465 3 333.3970315 89503 303523320 523221 a-Alanine, conf. II
135455.4663149.2010 -5.6674 3 798.0373519 89503 303863552 863353 a-Alanine, conf. II
135456.8432 4.1208 -5.6079 3 180.8714207 89503 3033432 2 3431 3 a-Alanine, conf. II
135456.8432 4.1208 -5.6079 3 180.8714207 89503 3033432 3 3431 4 a-Alanine, conf. II
135473.3570 19.3547 -5.6735 3 760.7880501 89503 303833846 833747 a-Alanine, conf. II
135481.7166 0.2324 -4.1116 3 83.5781147 89503 3032421 3 2321 2 a-Alanine, conf. II
135481.7166 0.2324 -4.1116 3 83.5781147 89503 3032421 4 2321 3 a-Alanine, conf. II
135499.9298 97.1588 -5.4893 3 859.2213543 89503 303903358 903159 a-Alanine, conf. II
135529.8412 4.1404 -5.2183 3 435.6711369 89503 303613427 613328 a-Alanine, conf. II
135529.8423 4.1404 -5.2183 3 435.6711369 89503 303613428 613329 a-Alanine, conf. II
135539.5933 21.0318 -4.9405 3 568.4692447 89503 303742351 742352 a-Alanine, conf. II
135539.7257 21.0312 -5.3918 3 568.4692447 89503 303742351 742252 a-Alanine, conf. II
135540.9046 21.0255 -5.3918 3 568.4692447 89503 303742451 742352 a-Alanine, conf. II
135541.0370 21.0249 -4.9405 3 568.4692447 89503 303742451 742252 a-Alanine, conf. II
135543.6606 0.0571 -4.5934 3 62.9538165 89503 30327 324 26 423 a-Alanine, conf. II
135543.6607 0.0571 -3.4234 3 62.9538165 89503 30327 424 26 423 a-Alanine, conf. II
135543.6609 0.0571 -3.4234 3 62.9538165 89503 30327 324 26 323 a-Alanine, conf. II
135543.6611 0.0571 -4.5934 3 62.9538165 89503 30327 424 26 323 a-Alanine, conf. II
135567.7635 0.0167 -4.8931 3 57.2097147 89503 30324 817 23 716 a-Alanine, conf. II
135609.9268 1.5851 -5.4710 3 154.7244231 89503 303381523 371720 a-Alanine, conf. II
135613.2481 0.1088 -5.6547 3 15.9881 75 89503 30312 9 3 11 7 4 a-Alanine, conf. II
135625.9036 1.0908 -5.1676 3 340.0991357 89503 303591346 591247 a-Alanine, conf. II
135625.9036 1.0908 -4.6251 3 340.0991357 89503 303591346 591347 a-Alanine, conf. II
135625.9036 1.0908 -4.6251 3 340.0991357 89503 303591446 591247 a-Alanine, conf. II
135625.9036 1.0908 -5.1676 3 340.0991357 89503 303591446 591347 a-Alanine, conf. II
135638.3411 0.2042 -3.9893 3 80.6417147 89503 3032420 4 2320 3 a-Alanine, conf. II
135638.3411 0.2042 -3.9893 3 80.6417147 89503 3032420 5 2320 4 a-Alanine, conf. II
135678.8409 0.1090 -5.6544 3 15.9859 75 89503 30312 9 4 11 7 5 a-Alanine, conf. II
135707.4246 0.1326 -5.3422 3 70.7266159 89503 303261016 251115 a-Alanine, conf. II
135712.6801 1.1766 -5.2383 3 154.7244225 89503 303371919 371720 a-Alanine, conf. II
135718.2701 0.0567 -5.1490 3 22.8447 93 89503 30315 8 7 14 6 8 a-Alanine, conf. II
135773.4010 2.8940 -5.1672 3 286.3471333 89503 303551045 55 946 a-Alanine, conf. II
135773.4010 2.8940 -4.6008 3 286.3471333 89503 303551045 551046 a-Alanine, conf. II
135773.4010 2.8940 -4.6008 3 286.3471333 89503 303551145 55 946 a-Alanine, conf. II
135773.4010 2.8940 -5.1672 3 286.3471333 89503 303551145 551046 a-Alanine, conf. II
135776.9395 1.7592 -5.1620 3 221.6739273 89503 303452025 451828 a-Alanine, conf. II
135809.7524 4.0740 -5.6038 3 166.1645273 89503 30345 243 45 144 a-Alanine, conf. II
135809.7524 4.0740 -4.9818 3 166.1645273 89503 30345 243 45 244 a-Alanine, conf. II
135809.7524 4.0740 -4.9818 3 166.1645273 89503 30345 343 45 144 a-Alanine, conf. II
135809.7524 4.0740 -5.6038 3 166.1645273 89503 30345 343 45 244 a-Alanine, conf. II
135821.6603 0.1772 -3.8954 3 77.8546147 89503 3032419 5 2319 4 a-Alanine, conf. II
135821.6603 0.1772 -3.8954 3 77.8546147 89503 3032419 6 2319 5 a-Alanine, conf. II
135860.6227111.6872 -5.5660 3 898.8615555 89503 303923459 923260 a-Alanine, conf. II
135862.8896 3.7610 -5.1442 3 323.5143309 89503 303513318 513219 a-Alanine, conf. II
135862.8896 3.7610 -5.1442 3 323.5143309 89503 303513319 513220 a-Alanine, conf. II
135926.6674 0.4842 -5.5912 3 118.6479201 89503 303331518 321617 a-Alanine, conf. II
135934.9240 1.1842 -5.1516 3 204.2620261 89503 303432023 431826 a-Alanine, conf. II
135945.9422 1.8710 -5.1881 3 187.7540249 89503 303412022 411823 a-Alanine, conf. II
135994.9735 0.0187 -4.7775 3 60.1194153 89503 30325 619 24 718 a-Alanine, conf. II
136008.0501 0.0185 -3.4745 3 60.1194153 89503 30325 719 24 718 a-Alanine, conf. II
136028.1667 0.0184 -3.4743 3 60.1182153 89503 30325 619 24 618 a-Alanine, conf. II
136038.3920 0.1515 -3.8196 3 75.2180147 89503 3032418 6 2318 5 a-Alanine, conf. II
136038.3920 0.1515 -3.8196 3 75.2180147 89503 3032418 7 2318 6 a-Alanine, conf. II
136041.2433 0.0182 -4.7771 3 60.1182153 89503 30325 719 24 618 a-Alanine, conf. II
136115.8493 7.7497 -5.4231 3 600.1145441 89503 303733637 733538 a-Alanine, conf. II
136117.2841 7.7393 -5.4231 3 600.1144441 89503 303733638 733539 a-Alanine, conf. II
136123.8943 0.0329 -5.5627 3 17.1325 87 89503 30314 510 13 311 a-Alanine, conf. II
136144.7482138.8191 -5.6003 3 744.3021501 89503 303833450 833251 a-Alanine, conf. II
136163.7972126.9749 -5.6457 3 939.3505567 89503 303943560 943361 a-Alanine, conf. II
136175.0407 0.0183 -3.5029 3 53.8785141 89503 30323 815 22 814 a-Alanine, conf. II
136187.2210 12.0251 -5.5390 3 677.9224471 89503 303783741 783642 a-Alanine, conf. II
136193.6030 4.0697 -5.2506 3 223.2794303 89503 30350 644 50 545 a-Alanine, conf. II
136193.6030 4.0697 -4.6550 3 223.2794303 89503 30350 644 50 645 a-Alanine, conf. II
136193.6030 4.0697 -4.6550 3 223.2794303 89503 30350 744 50 545 a-Alanine, conf. II
136193.6030 4.0697 -5.2506 3 223.2794303 89503 30350 744 50 645 a-Alanine, conf. II
136199.6863 11.9055 -5.5389 3 677.9219471 89503 303783742 783643 a-Alanine, conf. II
136201.6616 4.0869 -5.2051 3 424.0079363 89503 303603426 603327 a-Alanine, conf. II
136201.6620 4.0869 -5.2051 3 424.0079363 89503 303603427 603328 a-Alanine, conf. II
136213.3554 0.0833 -4.9511 3 31.5749105 89503 3031710 8 16 9 7 a-Alanine, conf. II
136239.0819 44.5571 -5.1534 3 689.1219489 89503 303812754 812755 a-Alanine, conf. II
136242.3286 44.5313 -5.5644 3 689.1218489 89503 303812754 812655 a-Alanine, conf. II
136256.0914 3.7988 -5.1436 3 313.8292303 89503 303503317 503218 a-Alanine, conf. II
136256.0914 3.7988 -5.1436 3 313.8292303 89503 303503318 503219 a-Alanine, conf. II
136265.3525 44.3475 -5.5643 3 689.1219489 89503 303812854 812755 a-Alanine, conf. II
136268.2314 1.4146 -5.1882 3 381.6896375 89503 303621547 621448 a-Alanine, conf. II
136268.2314 1.4146 -4.6618 3 381.6896375 89503 303621547 621548 a-Alanine, conf. II
136268.2315 1.4146 -4.6618 3 381.6896375 89503 303621647 621448 a-Alanine, conf. II
136268.2315 1.4146 -5.1882 3 381.6896375 89503 303621647 621548 a-Alanine, conf. II
136268.5992 44.3216 -5.1532 3 689.1218489 89503 303812854 812655 a-Alanine, conf. II
136296.8654 5.2208 -5.3060 3 514.2838405 89503 303673532 673433 a-Alanine, conf. II
136296.9159 5.2205 -5.3060 3 514.2838405 89503 303673533 673434 a-Alanine, conf. II
136297.7248 0.1271 -3.7563 3 72.7332147 89503 3032417 8 2317 7 a-Alanine, conf. II
136297.7250 0.1271 -3.7563 3 72.7332147 89503 3032417 7 2317 6 a-Alanine, conf. II
136305.2668 13.7343 -4.8527 3 518.7458429 89503 303712150 712151 a-Alanine, conf. II
136305.2817 13.7343 -5.3247 3 518.7458429 89503 303712150 712051 a-Alanine, conf. II
136305.4340 13.7337 -5.3247 3 518.7458429 89503 303712250 712151 a-Alanine, conf. II
136305.4489 13.7337 -4.8527 3 518.7458429 89503 303712250 712051 a-Alanine, conf. II
136384.9427 0.4878 -5.2387 3 129.8898213 89503 303351322 341519 a-Alanine, conf. II
136388.1542 0.0844 -4.9503 3 31.5702105 89503 3031710 7 16 9 8 a-Alanine, conf. II
136399.0282 4.0829 -5.2462 3 154.5445267 89503 30344 143 44 144 a-Alanine, conf. II
136399.0282 4.0829 -5.2462 3 154.5445267 89503 30344 243 44 044 a-Alanine, conf. II
136612.6471 0.1040 -3.7022 3 70.4025147 89503 3032416 9 2316 8 a-Alanine, conf. II
136612.6538 0.1040 -3.7022 3 70.4025147 89503 3032416 8 2316 7 a-Alanine, conf. II
136619.4598 4.2162 -4.7128 3 425.3383393 89503 303651748 651749 a-Alanine, conf. II
136619.4599 4.2162 -5.2222 3 425.3383393 89503 303651748 651649 a-Alanine, conf. II
136619.4616 4.2162 -5.2222 3 425.3383393 89503 303651848 651749 a-Alanine, conf. II
136619.4617 4.2162 -4.7128 3 425.3383393 89503 303651848 651649 a-Alanine, conf. II
136623.8172 3.8401 -5.1448 3 304.3413297 89503 303493316 493217 a-Alanine, conf. II
136623.8172 3.8401 -5.1448 3 304.3413297 89503 303493317 493218 a-Alanine, conf. II
136646.1289 8.2543 -4.7767 3 471.0293411 89503 303681949 681950 a-Alanine, conf. II
136646.1304 8.2543 -5.2680 3 471.0293411 89503 303681949 681850 a-Alanine, conf. II
136646.1476 8.2542 -5.2680 3 471.0293411 89503 303682049 681950 a-Alanine, conf. II
136646.1490 8.2542 -4.7767 3 471.0293411 89503 303682049 681850 a-Alanine, conf. II
136727.3691 0.9254 -5.4078 3 112.4713189 89503 303311814 311615 a-Alanine, conf. II
136760.7196 3.4460 -5.1766 3 272.3389327 89503 30354 945 54 846 a-Alanine, conf. II
136760.7196 3.4460 -4.6022 3 272.3389327 89503 30354 945 54 946 a-Alanine, conf. II
136760.7196 3.4460 -4.6022 3 272.3389327 89503 303541045 54 846 a-Alanine, conf. II
136760.7196 3.4460 -5.1766 3 272.3389327 89503 303541045 54 946 a-Alanine, conf. II
136775.0414 0.9237 -5.4076 3 112.4697189 89503 303311813 311616 a-Alanine, conf. II
136783.5683 25.8391 -4.9894 3 601.1802459 89503 303762452 762453 a-Alanine, conf. II
136783.8145 25.8377 -5.4327 3 601.1802459 89503 303762452 762353 a-Alanine, conf. II
136785.9061 25.8260 -5.4327 3 601.1802459 89503 303762552 762453 a-Alanine, conf. II
136786.1523 25.8246 -4.9894 3 601.1802459 89503 303762552 762353 a-Alanine, conf. II
136814.6888 1.9003 -5.1633 3 325.1582351 89503 303581246 581147 a-Alanine, conf. II
136814.6888 1.9003 -4.6119 3 325.1582351 89503 303581246 581247 a-Alanine, conf. II
136814.6888 1.9003 -4.6119 3 325.1582351 89503 303581346 581147 a-Alanine, conf. II
136814.6888 1.9003 -5.1633 3 325.1582351 89503 303581346 581247 a-Alanine, conf. II
136831.8532 4.0536 -5.1932 3 412.5466357 89503 303593425 593326 a-Alanine, conf. II
136831.8533 4.0536 -5.1932 3 412.5466357 89503 303593426 593327 a-Alanine, conf. II
136943.6524 1.0819 -5.2315 3 154.6839225 89503 303371918 371721 a-Alanine, conf. II
136960.0795 4.2961 -5.2967 3 210.4529297 89503 30349 544 49 445 a-Alanine, conf. II
136960.0795 4.2961 -4.6939 3 210.4529297 89503 30349 544 49 545 a-Alanine, conf. II
136960.0795 4.2961 -4.6939 3 210.4529297 89503 30349 644 49 445 a-Alanine, conf. II
136960.0795 4.2961 -5.2967 3 210.4529297 89503 30349 644 49 545 a-Alanine, conf. II
136967.5134 3.8842 -5.1479 3 295.0500291 89503 303483315 483216 a-Alanine, conf. II
136967.5134 3.8842 -5.1479 3 295.0500291 89503 303483316 483217 a-Alanine, conf. II
136991.8344 0.1061 -3.3932 3 64.9695171 89503 30328 226 27 225 a-Alanine, conf. II
136991.8344 0.1061 -4.5354 3 64.9695171 89503 30328 226 27 325 a-Alanine, conf. II
136991.8344 0.1061 -4.5354 3 64.9695171 89503 30328 326 27 225 a-Alanine, conf. II
136991.8344 0.1061 -3.3932 3 64.9695171 89503 30328 326 27 325 a-Alanine, conf. II
137002.2993 0.0824 -3.6550 3 68.2287147 89503 303241510 2315 9 a-Alanine, conf. II
137002.4403 0.0824 -3.6550 3 68.2287147 89503 3032415 9 2315 8 a-Alanine, conf. II
137069.1273 0.2923 -4.7094 3 29.2546 87 89503 3031414 0 1313 1 a-Alanine, conf. II
137069.1273 0.2923 -4.7094 3 29.2546 87 89503 3031414 1 1313 0 a-Alanine, conf. II
137083.8872 53.2276 -5.2146 3 724.8920501 89503 303832855 832856 a-Alanine, conf. II
137089.5381 53.1761 -5.6166 3 724.8918501 89503 303832855 832756 a-Alanine, conf. II
137127.8272 52.8291 -5.6163 3 724.8920501 89503 303832955 832856 a-Alanine, conf. II
137128.1756 17.4784 -5.6403 3 744.6959495 89503 303823844 823745 a-Alanine, conf. II
137133.4781 52.7776 -5.2142 3 724.8918501 89503 303832955 832756 a-Alanine, conf. II
137169.6120 16.9882 -5.6401 3 744.6943495 89503 303823845 823746 a-Alanine, conf. II
137169.9362 4.9960 -5.2872 3 501.4258399 89503 303663531 663432 a-Alanine, conf. II
137169.9547 4.9959 -5.2872 3 501.4258399 89503 303663532 663433 a-Alanine, conf. II
137175.1040124.9370 -5.5376 3 692.4021483 89503 303803348 803149 a-Alanine, conf. II
137251.7235 7.1050 -5.3988 3 586.0491435 89503 303723636 723537 a-Alanine, conf. II
137252.3048 7.1010 -5.3988 3 586.0491435 89503 303723637 723538 a-Alanine, conf. II
137288.5287 3.9304 -5.1531 3 285.9549285 89503 303473314 473215 a-Alanine, conf. II
137288.5287 3.9304 -5.1531 3 285.9549285 89503 303473315 473216 a-Alanine, conf. II
137319.4986 0.0242 -4.6887 3 62.7755159 89503 30326 521 25 620 a-Alanine, conf. II
137319.7811 0.0242 -3.4457 3 62.7755159 89503 30326 621 25 620 a-Alanine, conf. II
137320.2877 0.0242 -3.4457 3 62.7755159 89503 30326 521 25 520 a-Alanine, conf. II
137320.5702 0.0242 -4.6887 3 62.7755159 89503 30326 621 25 520 a-Alanine, conf. II
137374.5423 0.0474 -3.5170 3 55.5470141 89503 303231013 221012 a-Alanine, conf. II
137406.2913 0.0530 -5.1040 3 37.3985117 89503 30319 911 18 810 a-Alanine, conf. II
137412.2484 0.0948 -5.1651 3 64.5252153 89503 30325 916 241015 a-Alanine, conf. II
137423.1658 4.0368 -5.1825 3 401.2864351 89503 303583424 583325 a-Alanine, conf. II
137423.1658 4.0368 -5.1825 3 401.2864351 89503 303583425 583326 a-Alanine, conf. II
137495.0898 0.0681 -5.3002 3 19.8871 87 89503 30314 8 7 13 6 8 a-Alanine, conf. II
137495.9245 0.0624 -3.6132 3 66.2159147 89503 303241411 231410 a-Alanine, conf. II
137498.2666 0.0624 -3.6132 3 66.2159147 89503 303241410 2314 9 a-Alanine, conf. II
137524.5748 0.2262 -5.4922 3 89.4787177 89503 303291217 281316 a-Alanine, conf. II
137579.8440 10.6651 -5.5102 3 662.8473465 89503 303773740 773641 a-Alanine, conf. II
137585.2546 10.6151 -5.5102 3 662.8471465 89503 303773741 773642 a-Alanine, conf. II
137588.1243 3.9784 -5.1606 3 277.0555279 89503 303463313 463214 a-Alanine, conf. II
137588.1243 3.9784 -5.1606 3 277.0555279 89503 303463314 463215 a-Alanine, conf. II
137607.1723 0.7476 -5.1770 3 366.0498369 89503 303611447 611348 a-Alanine, conf. II
137607.1723 0.7476 -4.6412 3 366.0498369 89503 303611447 611448 a-Alanine, conf. II
137607.1724 0.7476 -4.6412 3 366.0498369 89503 303611547 611348 a-Alanine, conf. II
137607.1724 0.7476 -5.1770 3 366.0498369 89503 303611547 611448 a-Alanine, conf. II
137676.5492 1.2673 -5.1576 3 195.8422255 89503 303422022 421825 a-Alanine, conf. II
137678.5255 4.4633 -5.3611 3 197.8611291 89503 30348 444 48 345 a-Alanine, conf. II
137678.5255 4.4633 -4.7515 3 197.8611291 89503 30348 444 48 445 a-Alanine, conf. II
137678.5255 4.4633 -4.7515 3 197.8611291 89503 30348 544 48 345 a-Alanine, conf. II
137678.5255 4.4633 -5.3611 3 197.8611291 89503 30348 544 48 445 a-Alanine, conf. II
137686.2021 3.9155 -5.1922 3 258.5589321 89503 30353 845 53 746 a-Alanine, conf. II
137686.2021 3.9155 -4.6101 3 258.5589321 89503 30353 845 53 846 a-Alanine, conf. II
137686.2021 3.9155 -4.6101 3 258.5589321 89503 30353 945 53 746 a-Alanine, conf. II
137686.2021 3.9155 -5.1922 3 258.5589321 89503 30353 945 53 846 a-Alanine, conf. II
137707.7129 0.0195 -3.4924 3 58.5912147 89503 30324 916 23 915 a-Alanine, conf. II
137730.1967 17.3195 -4.8957 3 550.1209441 89503 303732251 732252 a-Alanine, conf. II
137730.2258 17.3194 -5.3602 3 550.1209441 89503 303732251 732152 a-Alanine, conf. II
137730.5082 17.3182 -5.3602 3 550.1209441 89503 303732351 732252 a-Alanine, conf. II
137730.5372 17.3180 -4.8957 3 550.1209441 89503 303732351 732152 a-Alanine, conf. II
137825.2519 63.3228 -5.2789 3 761.5250513 89503 303852956 852957 a-Alanine, conf. II
137834.9741 63.2221 -5.6717 3 761.5247513 89503 303852956 852857 a-Alanine, conf. II
137849.0347 0.0677 -5.3326 3 20.6760 93 89503 30315 510 14 311 a-Alanine, conf. II
137867.4833 4.0277 -5.1707 3 268.3515273 89503 303453312 453213 a-Alanine, conf. II
137867.4833 4.0277 -5.1707 3 268.3515273 89503 303453313 453214 a-Alanine, conf. II
137897.9274 62.5777 -5.6713 3 761.5250513 89503 303853056 852957 a-Alanine, conf. II
137907.6496 62.4770 -5.2784 3 761.5247513 89503 303853056 852857 a-Alanine, conf. II
137927.7653 2.6744 -5.1629 3 310.4398345 89503 303571146 571047 a-Alanine, conf. II
137927.7653 2.6744 -4.6030 3 310.4398345 89503 303571146 571147 a-Alanine, conf. II
137927.7653 2.6744 -4.6030 3 310.4398345 89503 303571246 571047 a-Alanine, conf. II
137927.7653 2.6744 -5.1629 3 310.4398345 89503 303571246 571147 a-Alanine, conf. II
137951.0398 31.4463 -5.0415 3 634.7630471 89503 303782553 782554 a-Alanine, conf. II
137951.4912 31.4434 -5.4766 3 634.7630471 89503 303782553 782454 a-Alanine, conf. II
137955.1525 31.4195 -5.4766 3 634.7630471 89503 303782653 782554 a-Alanine, conf. II
137955.6039 31.4166 -5.0415 3 634.7630471 89503 303782653 782454 a-Alanine, conf. II
137978.0898 4.0336 -5.1730 3 390.2266345 89503 303573423 573324 a-Alanine, conf. II
137978.0898 4.0336 -5.1730 3 390.2266345 89503 303573424 573325 a-Alanine, conf. II
137988.3988 4.8220 -5.2695 3 488.7726393 89503 303653530 653431 a-Alanine, conf. II
137988.4054 4.8220 -5.2695 3 488.7726393 89503 303653531 653432 a-Alanine, conf. II
138127.5836 2.5781 -4.6857 3 409.0076387 89503 303641648 641649 a-Alanine, conf. II
138127.5837 2.5781 -5.2052 3 409.0076387 89503 303641648 641549 a-Alanine, conf. II
138127.5840 2.5781 -4.6857 3 409.0076387 89503 303641748 641549 a-Alanine, conf. II
138127.5840 2.5781 -5.2052 3 409.0076387 89503 303641748 641649 a-Alanine, conf. II
138127.7179 4.0778 -5.1837 3 259.8424267 89503 303443311 443212 a-Alanine, conf. II
138127.7179 4.0778 -5.1837 3 259.8424267 89503 303443312 443213 a-Alanine, conf. II
138134.3317 0.0446 -3.5756 3 64.3703147 89503 303241312 231311 a-Alanine, conf. II
138164.1128 0.0450 -3.5754 3 64.3708147 89503 303241311 231310 a-Alanine, conf. II
138180.8215 0.9453 -5.4554 3 106.5003183 89503 303301813 301614 a-Alanine, conf. II
138197.7720 0.9448 -5.4553 3 106.4998183 89503 303301812 301615 a-Alanine, conf. II
138230.4216 10.8742 -4.8138 3 501.0600423 89503 303702050 702051 a-Alanine, conf. II
138230.4246 10.8742 -5.2978 3 501.0600423 89503 303702050 701951 a-Alanine, conf. II
138230.4581 10.8741 -5.2978 3 501.0600423 89503 303702150 702051 a-Alanine, conf. II
138230.4611 10.8740 -4.8138 3 501.0600423 89503 303702150 701951 a-Alanine, conf. II
138312.7581 6.5861 -5.3757 3 572.1923429 89503 303713635 713536 a-Alanine, conf. II
138312.9879 6.5846 -5.3757 3 572.1923429 89503 303713636 713537 a-Alanine, conf. II
138347.3310 6.0603 -4.7436 3 454.0164405 89503 303671849 671850 a-Alanine, conf. II
138347.3313 6.0603 -5.2459 3 454.0164405 89503 303671849 671750 a-Alanine, conf. II
138347.3347 6.0603 -5.2459 3 454.0164405 89503 303671949 671850 a-Alanine, conf. II
138347.3350 6.0603 -4.7436 3 454.0164405 89503 303671949 671750 a-Alanine, conf. II
138352.0021 4.5756 -5.4541 3 185.5055285 89503 30347 344 47 245 a-Alanine, conf. II
138352.0021 4.5756 -4.8380 3 185.5055285 89503 30347 344 47 345 a-Alanine, conf. II
138352.0021 4.5756 -4.8380 3 185.5055285 89503 30347 444 47 245 a-Alanine, conf. II
138352.0021 4.5756 -5.4541 3 185.5055285 89503 30347 444 47 345 a-Alanine, conf. II
138369.8763 4.1286 -5.2001 3 251.5278261 89503 303433310 433211 a-Alanine, conf. II
138369.8763 4.1286 -5.2001 3 251.5278261 89503 303433311 433212 a-Alanine, conf. II
138380.5469 0.2191 -4.7513 3 30.0989 93 89503 3031513 3 1412 2 a-Alanine, conf. II
138380.5472 0.2191 -4.7513 3 30.0989 93 89503 3031513 2 1412 3 a-Alanine, conf. II
138396.4283 0.0581 -4.9965 3 25.8653 99 89503 30316 8 8 15 6 9 a-Alanine, conf. II
138444.3871 0.1865 -3.3636 3 66.8013177 89503 30329 128 28 127 a-Alanine, conf. II
138444.3871 0.1865 -4.4831 3 66.8013177 89503 30329 128 28 227 a-Alanine, conf. II
138444.3871 0.1865 -4.4831 3 66.8013177 89503 30329 228 28 127 a-Alanine, conf. II
138444.3871 0.1865 -3.3636 3 66.8013177 89503 30329 228 28 227 a-Alanine, conf. II
138453.4664 75.1101 -5.3466 3 799.0185525 89503 303873057 873058 a-Alanine, conf. II
138472.5549108.8771 -5.4792 3 642.3439465 89503 303773246 773047 a-Alanine, conf. II
138484.4199 2.3984 -5.5229 3 171.8481243 89503 303401624 391821 a-Alanine, conf. II
138498.8912 4.0417 -5.1648 3 379.3668339 89503 303563422 563323 a-Alanine, conf. II
138498.8912 4.0417 -5.1648 3 379.3668339 89503 303563423 563324 a-Alanine, conf. II
138554.2692 4.3066 -5.2153 3 245.0088315 89503 30352 745 52 646 a-Alanine, conf. II
138554.2692 4.3066 -4.6258 3 245.0088315 89503 30352 745 52 746 a-Alanine, conf. II
138554.2692 4.3066 -4.6258 3 245.0088315 89503 30352 845 52 646 a-Alanine, conf. II
138554.2692 4.3066 -5.2153 3 245.0088315 89503 30352 845 52 746 a-Alanine, conf. II
138588.9071 73.5454 -5.3457 3 799.0180525 89503 303873157 872958 a-Alanine, conf. II
138591.7895 1.1172 -5.2592 3 147.5039219 89503 303361918 361719 a-Alanine, conf. II
138594.9487 4.1797 -5.2204 3 243.4073255 89503 3034233 9 423210 a-Alanine, conf. II
138594.9487 4.1797 -5.2204 3 243.4073255 89503 303423310 423211 a-Alanine, conf. II
138613.7259 3.1579 -5.1869 3 230.6463279 89503 303462026 461829 a-Alanine, conf. II
138715.1502 0.0394 -4.6161 3 65.2230165 89503 30327 423 26 522 a-Alanine, conf. II
138715.1541 0.0394 -3.4164 3 65.2230165 89503 30327 523 26 522 a-Alanine, conf. II
138715.1619 0.0394 -3.4164 3 65.2230165 89503 30327 423 26 422 a-Alanine, conf. II
138715.1658 0.0394 -4.6161 3 65.2230165 89503 30327 523 26 422 a-Alanine, conf. II
138723.3788 0.0728 -5.0754 3 33.7170111 89503 30318 9 9 17 810 a-Alanine, conf. II
138727.0254 15.1817 -5.6081 3 728.8176489 89503 303813843 813744 a-Alanine, conf. II
138731.6336 0.2828 -5.5685 3 116.7183201 89503 303331420 321517 a-Alanine, conf. II
138745.7928 14.9660 -5.6080 3 728.8168489 89503 303813844 813745 a-Alanine, conf. II
138756.3370 4.6895 -5.2530 3 476.3234387 89503 303643529 643430 a-Alanine, conf. II
138756.3393 4.6895 -5.2530 3 476.3234387 89503 303643530 643431 a-Alanine, conf. II
138771.7727 0.4233 -5.5477 3 110.4713195 89503 303321418 311517 a-Alanine, conf. II
138803.8723 4.2309 -5.2454 3 235.4806249 89503 3034133 8 4132 9 a-Alanine, conf. II
138803.8723 4.2309 -5.2454 3 235.4806249 89503 3034133 9 413210 a-Alanine, conf. II
138808.2799 1.2080 -5.3845 3 151.5543231 89503 303381325 371522 a-Alanine, conf. II
138859.6300 1.4047 -5.1690 3 350.6286363 89503 303601347 601248 a-Alanine, conf. II
138859.6300 1.4047 -4.6242 3 350.6286363 89503 303601347 601348 a-Alanine, conf. II
138859.6300 1.4047 -4.6242 3 350.6286363 89503 303601447 601248 a-Alanine, conf. II
138859.6300 1.4047 -5.1690 3 350.6286363 89503 303601447 601348 a-Alanine, conf. II
138873.4392 9.5695 -5.4827 3 647.9844459 89503 303763739 763640 a-Alanine, conf. II
138875.7323 9.5492 -5.4827 3 647.9843459 89503 303763740 763641 a-Alanine, conf. II
138926.7700 0.0310 -3.5413 3 62.7007147 89503 303241213 231212 a-Alanine, conf. II
138955.7662 88.9451 -5.4175 3 837.3701537 89503 303893158 893159 a-Alanine, conf. II
138971.1544 3.3619 -5.1669 3 295.9461339 89503 303561046 56 947 a-Alanine, conf. II
138971.1544 3.3619 -4.5988 3 295.9461339 89503 303561046 561047 a-Alanine, conf. II
138971.1544 3.3619 -4.5988 3 295.9461339 89503 303561146 56 947 a-Alanine, conf. II
138971.1544 3.3619 -5.1669 3 295.9461339 89503 303561146 561047 a-Alanine, conf. II
138983.2958 4.6375 -5.5989 3 173.3877279 89503 30346 244 46 145 a-Alanine, conf. II
138983.2958 4.6375 -4.9764 3 173.3877279 89503 30346 244 46 245 a-Alanine, conf. II
138983.2958 4.6375 -4.9764 3 173.3877279 89503 30346 344 46 145 a-Alanine, conf. II
138983.2958 4.6375 -5.5989 3 173.3877279 89503 30346 344 46 245 a-Alanine, conf. II
138987.6411 4.0590 -5.1579 3 368.7062333 89503 303553421 553322 a-Alanine, conf. II
138987.6411 4.0590 -5.1579 3 368.7062333 89503 303553422 553323 a-Alanine, conf. II
138997.5359 4.2820 -5.2761 3 227.7473243 89503 3034033 7 4032 8 a-Alanine, conf. II
138997.5359 4.2820 -5.2761 3 227.7473243 89503 3034033 8 4032 9 a-Alanine, conf. II
139038.7911 37.9629 -5.0968 3 669.2156483 89503 303802654 802655 a-Alanine, conf. II
139039.6077 37.9569 -5.5235 3 669.2155483 89503 303802654 802555 a-Alanine, conf. II
139045.9358 37.9096 -5.5235 3 669.2156483 89503 303802754 802655 a-Alanine, conf. II
139046.7523 37.9035 -5.0967 3 669.2155483 89503 303802754 802555 a-Alanine, conf. II
139086.8074 21.5351 -4.9421 3 582.3719453 89503 303752352 752353 a-Alanine, conf. II
139086.8630 21.5348 -5.3988 3 582.3719453 89503 303752352 752253 a-Alanine, conf. II
139087.3786 21.5322 -5.3988 3 582.3719453 89503 303752452 752353 a-Alanine, conf. II
139087.4343 21.5319 -4.9420 3 582.3719453 89503 303752452 752253 a-Alanine, conf. II
139121.3451 0.0594 -5.1199 3 41.2127123 89503 30320 912 19 811 a-Alanine, conf. II
139127.9987 0.1048 -5.5591 3 28.4538105 89503 30317 710 16 611 a-Alanine, conf. II
139136.3850 1.0789 -5.2561 3 147.4860219 89503 303361917 361720 a-Alanine, conf. II
139176.0582 86.0948 -5.4161 3 837.3692537 89503 303893258 893059 a-Alanine, conf. II
139176.7841 4.3329 -5.3139 3 220.2070237 89503 3033933 6 3932 7 a-Alanine, conf. II
139176.7841 4.3329 -5.3139 3 220.2070237 89503 3033933 7 3932 8 a-Alanine, conf. II
139197.0731 0.0196 -4.8343 3 61.7318153 89503 30325 718 24 817 a-Alanine, conf. II
139205.5992 0.0335 -3.5395 3 62.7064147 89503 303241212 231211 a-Alanine, conf. II
139251.2515 0.0338 -3.4808 3 54.6572141 89503 30323 914 22 913 a-Alanine, conf. II
139252.2439 2.8488 -5.1653 3 215.2265267 89503 303442124 441925 a-Alanine, conf. II
139305.6762 6.1695 -5.3536 3 558.5431423 89503 303703634 703535 a-Alanine, conf. II
139305.7648 6.1689 -5.3536 3 558.5431423 89503 303703635 703536 a-Alanine, conf. II
139315.0760105.3155 -5.4918 3 876.5773549 89503 303913259 913260 a-Alanine, conf. II
139342.4204 4.3833 -5.3609 3 212.8594231 89503 3033833 5 3832 6 a-Alanine, conf. II
139342.4204 4.3833 -5.3609 3 212.8594231 89503 3033833 6 3832 7 a-Alanine, conf. II
139356.3048 0.0174 -3.4631 3 61.7318153 89503 30325 818 24 817 a-Alanine, conf. II
139368.2251 0.0907 -5.1118 3 24.4319 99 89503 30316 610 15 411 a-Alanine, conf. II
139368.8654 4.6244 -5.2481 3 231.6903309 89503 30351 645 51 546 a-Alanine, conf. II
139368.8654 4.6244 -4.6514 3 231.6903309 89503 30351 645 51 646 a-Alanine, conf. II
139368.8654 4.6244 -4.6514 3 231.6903309 89503 30351 745 51 546 a-Alanine, conf. II
139368.8654 4.6244 -5.2481 3 231.6903309 89503 30351 745 51 646 a-Alanine, conf. II
139446.2402 4.0840 -5.1524 3 358.2444327 89503 303543420 543321 a-Alanine, conf. II
139446.2402 4.0840 -5.1524 3 358.2444327 89503 303543421 543322 a-Alanine, conf. II
139446.5970 0.9697 -5.5091 3 100.7365177 89503 303291812 291613 a-Alanine, conf. II
139448.1502 0.0229 -3.4937 3 59.8737147 89503 303241015 231014 a-Alanine, conf. II
139452.2736 0.9695 -5.5090 3 100.7363177 89503 303291811 291614 a-Alanine, conf. II
139477.3731 4.5911 -5.2375 3 464.0773381 89503 303633528 633429 a-Alanine, conf. II
139477.3739 4.5911 -5.2375 3 464.0773381 89503 303633529 633430 a-Alanine, conf. II
139495.2109 4.4332 -5.4204 3 205.7042225 89503 3033733 4 3732 5 a-Alanine, conf. II
139495.2109 4.4332 -5.4204 3 205.7042225 89503 3033733 5 3732 6 a-Alanine, conf. II
139503.6475148.7107 -5.6513 3 957.5481573 89503 303953461 953462 a-Alanine, conf. II
139507.2978 3.1334 -5.5702 3 184.7651255 89503 303421428 411625 a-Alanine, conf. II
139508.2495124.9085 -5.5697 3 916.6375561 89503 303933360 933361 a-Alanine, conf. II
139535.8886 1.2315 -5.1909 3 392.8911381 89503 303631548 631449 a-Alanine, conf. II
139535.8886 1.2315 -4.6618 3 392.8911381 89503 303631548 631549 a-Alanine, conf. II
139535.8887 1.2315 -4.6618 3 392.8911381 89503 303631648 631449 a-Alanine, conf. II
139535.8887 1.2315 -5.1909 3 392.8911381 89503 303631648 631549 a-Alanine, conf. II
139563.8037 0.0160 -3.4616 3 61.7195153 89503 30325 718 24 717 a-Alanine, conf. II
139574.9550 4.6531 -5.2405 3 161.5088273 89503 30345 144 45 145 a-Alanine, conf. II
139574.9550 4.6531 -5.2405 3 161.5088273 89503 30345 244 45 045 a-Alanine, conf. II
139624.6554 0.0248 -3.5119 3 61.2114147 89503 303241114 231113 a-Alanine, conf. II
139635.8865 4.4825 -5.4979 3 198.7411219 89503 3033633 3 3632 4 a-Alanine, conf. II
139635.8865 4.4825 -5.4979 3 198.7411219 89503 3033633 4 3632 5 a-Alanine, conf. II
139657.4811 0.1604 -4.7992 3 31.2988 99 89503 3031612 5 1511 4 a-Alanine, conf. II
139657.5782 0.1604 -4.7992 3 31.2988 99 89503 3031612 4 1511 5 a-Alanine, conf. II
139669.6633100.2013 -5.4897 3 876.5758549 89503 303913359 913160 a-Alanine, conf. II
139691.8405 1.7154 -5.5803 3 146.8947225 89503 303371522 371325 a-Alanine, conf. II
139723.0355 0.0155 -4.8305 3 61.7195153 89503 30325 818 24 717 a-Alanine, conf. II
139752.1012 13.9960 -4.8542 3 531.9705435 89503 303722151 722152 a-Alanine, conf. II
139752.1073 13.9959 -5.3309 3 531.9705435 89503 303722151 722052 a-Alanine, conf. II
139752.1713 13.9957 -5.3309 3 531.9705435 89503 303722251 722152 a-Alanine, conf. II
139752.1773 13.9957 -4.8542 3 531.9705435 89503 303722251 722052 a-Alanine, conf. II
139765.1457 4.5310 -5.6036 3 191.9697213 89503 3033533 2 3532 3 a-Alanine, conf. II
139765.1457 4.5310 -5.6036 3 191.9697213 89503 3033533 3 3532 4 a-Alanine, conf. II
139837.7607 2.4661 -5.4913 3 163.7082237 89503 303391623 391426 a-Alanine, conf. II
139876.4397 4.1153 -5.1484 3 347.9808321 89503 303533419 533320 a-Alanine, conf. II
139876.4397 4.1153 -5.1484 3 347.9808321 89503 303533420 533321 a-Alanine, conf. II
139894.4056 0.3088 -3.3345 3 68.4521183 89503 30330 030 29 029 a-Alanine, conf. II
139894.4056 0.3088 -4.4352 3 68.4521183 89503 30330 030 29 129 a-Alanine, conf. II
139894.4056 0.3088 -4.4352 3 68.4521183 89503 30330 130 29 029 a-Alanine, conf. II
139894.4056 0.3088 -3.3345 3 68.4521183 89503 30330 130 29 129 a-Alanine, conf. II
139902.4827 1.3128 -5.1681 3 187.6247249 89503 303412021 411824 a-Alanine, conf. II
139931.8179 4.1035 -4.7135 3 437.2128399 89503 303661749 661750 a-Alanine, conf. II
139931.8180 4.1035 -5.2262 3 437.2128399 89503 303661749 661650 a-Alanine, conf. II
139931.8186 4.1035 -5.2262 3 437.2128399 89503 303661849 661750 a-Alanine, conf. II
139931.8187 4.1035 -4.7135 3 437.2128399 89503 303661849 661650 a-Alanine, conf. II
139943.0932 91.9107 -5.4248 3 594.1347447 89503 303743144 742945 a-Alanine, conf. II
139950.1349 3.9583 -5.1760 3 281.6789333 89503 30355 946 55 847 a-Alanine, conf. II
139950.1349 3.9583 -4.6001 3 281.6789333 89503 30355 946 55 947 a-Alanine, conf. II
139950.1349 3.9583 -4.6001 3 281.6789333 89503 303551046 55 847 a-Alanine, conf. II
139950.1349 3.9583 -5.1760 3 281.6789333 89503 303551046 55 947 a-Alanine, conf. II
139981.8317 0.0672 -5.1178 3 45.2479129 89503 30321 913 20 812 a-Alanine, conf. II
140016.8267 8.3070 -4.7779 3 483.5781417 89503 303691950 691951 a-Alanine, conf. II
140016.8273 8.3070 -5.2732 3 483.5781417 89503 303691950 691851 a-Alanine, conf. II
140016.8343 8.3070 -5.2732 3 483.5781417 89503 303692050 691951 a-Alanine, conf. II
140016.8348 8.3070 -4.7779 3 483.5781417 89503 303692050 691851 a-Alanine, conf. II
140032.9979 2.3077 -5.1644 3 335.4281357 89503 303591247 591148 a-Alanine, conf. II
140032.9979 2.3077 -4.6109 3 335.4281357 89503 303591247 591248 a-Alanine, conf. II
140032.9979 2.3077 -4.6109 3 335.4281357 89503 303591347 591148 a-Alanine, conf. II
140032.9979 2.3077 -5.1644 3 335.4281357 89503 303591347 591248 a-Alanine, conf. II
140043.0438 45.5160 -5.1551 3 704.5357495 89503 303822755 822756 a-Alanine, conf. II
140044.5020 45.5036 -5.5734 3 704.5357495 89503 303822755 822656 a-Alanine, conf. II
140055.3071 45.4113 -5.5733 3 704.5357495 89503 303822855 822756 a-Alanine, conf. II
140056.7653 45.3989 -5.1550 3 704.5357495 89503 303822855 822656 a-Alanine, conf. II
140061.0738 0.0182 -3.4725 3 58.4208147 89503 30324 816 23 815 a-Alanine, conf. II
140073.1131115.8692 -5.5663 3 916.6350561 89503 303933460 933261 a-Alanine, conf. II
140079.0234 8.6812 -5.4564 3 633.3322453 89503 303753738 753639 a-Alanine, conf. II
140079.9725 8.6731 -5.4564 3 633.3322453 89503 303753739 753640 a-Alanine, conf. II
140133.5322 4.8738 -5.2937 3 218.6051303 89503 30350 545 50 446 a-Alanine, conf. II
140133.5322 4.8738 -4.6902 3 218.6051303 89503 30350 545 50 546 a-Alanine, conf. II
140133.5322 4.8738 -4.6902 3 218.6051303 89503 30350 645 50 446 a-Alanine, conf. II
140133.5322 4.8738 -5.2937 3 218.6051303 89503 30350 645 50 546 a-Alanine, conf. II
140148.3991 0.0732 -4.5537 3 67.4751171 89503 30328 325 27 424 a-Alanine, conf. II
140148.3991 0.0732 -3.3871 3 67.4751171 89503 30328 425 27 424 a-Alanine, conf. II
140148.3992 0.0732 -3.3871 3 67.4751171 89503 30328 325 27 324 a-Alanine, conf. II
140148.3992 0.0732 -4.5537 3 67.4751171 89503 30328 425 27 324 a-Alanine, conf. II
140154.7414 4.5208 -5.2232 3 452.0337375 89503 303623527 623428 a-Alanine, conf. II
140154.7417 4.5208 -5.2232 3 452.0337375 89503 303623528 623429 a-Alanine, conf. II
140203.4658 13.3568 -5.5774 3 713.1542483 89503 303803842 803743 a-Alanine, conf. II
140211.7670 13.2645 -5.5773 3 713.1539483 89503 303803843 803744 a-Alanine, conf. II
140214.1472 3.2919 -5.4107 3 181.4051249 89503 303411724 411527 a-Alanine, conf. II
140236.2206 5.8366 -5.3327 3 545.1002417 89503 303693633 693534 a-Alanine, conf. II
140236.2539 5.8364 -5.3327 3 545.1002417 89503 303693634 693535 a-Alanine, conf. II
140273.3094 0.0622 -5.2125 3 21.6731 93 89503 30315 7 9 14 510 a-Alanine, conf. II
140279.8586 4.1518 -5.1459 3 337.9149315 89503 303523418 523319 a-Alanine, conf. II
140279.8586 4.1518 -5.1459 3 337.9149315 89503 303523419 523320 a-Alanine, conf. II
140362.6728 1.5701 -5.1926 3 179.6793243 89503 303402021 401822 a-Alanine, conf. II
140373.0167 26.4642 -4.9916 3 615.4970465 89503 303772453 772454 a-Alanine, conf. II
140373.1217 26.4636 -5.4405 3 615.4970465 89503 303772453 772354 a-Alanine, conf. II
140374.0497 26.4580 -5.4405 3 615.4970465 89503 303772553 772454 a-Alanine, conf. II
140374.1547 26.4574 -4.9915 3 615.4970465 89503 303772553 772354 a-Alanine, conf. II
140394.1567132.9726 -5.6460 3 957.5439573 89503 303953561 953362 a-Alanine, conf. II
140505.1753 0.0700 -5.0895 3 49.4793135 89503 30322 914 21 813 a-Alanine, conf. II
140554.9972 0.9971 -5.5694 3 95.1777171 89503 303281811 281612 a-Alanine, conf. II
140556.7821 0.9971 -5.5694 3 95.1776171 89503 303281810 281613 a-Alanine, conf. II
140578.4651 0.0210 -4.7256 3 64.6561159 89503 30326 620 25 719 a-Alanine, conf. II
140583.4981 0.0209 -3.4366 3 64.6561159 89503 30326 720 25 719 a-Alanine, conf. II
140591.5417 0.0209 -3.4365 3 64.6557159 89503 30326 620 25 619 a-Alanine, conf. II
140596.5747 0.0208 -4.7255 3 64.6557159 89503 30326 720 25 619 a-Alanine, conf. II
140641.7653 0.1034 -5.5001 3 18.2867 81 89503 30313 9 4 12 7 5 a-Alanine, conf. II
140657.9990 4.1925 -5.1450 3 328.0462309 89503 303513417 513318 a-Alanine, conf. II
140657.9990 4.1925 -5.1450 3 328.0462309 89503 303513418 513319 a-Alanine, conf. II
140686.5073 0.4014 -5.5548 3 125.0467207 89503 303341520 331617 a-Alanine, conf. II
140748.9980 3.4434 -5.5758 3 189.8723255 89503 303421725 411922 a-Alanine, conf. II
140791.3476 4.4737 -5.2100 3 440.1919369 89503 303613526 613427 a-Alanine, conf. II
140791.3477 4.4737 -5.2100 3 440.1919369 89503 303613527 613428 a-Alanine, conf. II
140824.3562 0.1154 -4.8583 3 32.8703105 89503 3031711 7 1610 6 a-Alanine, conf. II
140835.6566 0.1154 -4.8583 3 32.8700105 89503 3031711 6 1610 7 a-Alanine, conf. II
140851.4676 5.0598 -5.3577 3 205.7546297 89503 30349 445 49 346 a-Alanine, conf. II
140851.4676 5.0598 -4.7475 3 205.7546297 89503 30349 445 49 446 a-Alanine, conf. II
140851.4676 5.0598 -4.7475 3 205.7546297 89503 30349 545 49 346 a-Alanine, conf. II
140851.4676 5.0598 -5.3577 3 205.7546297 89503 30349 545 49 446 a-Alanine, conf. II
140852.6703 0.3344 -4.5655 3 97.7826153 89503 3032524 1 2424 0 a-Alanine, conf. II
140852.6703 0.3344 -4.5655 3 97.7826153 89503 3032524 2 2424 1 a-Alanine, conf. II
140853.6325 0.8861 -5.1796 3 376.9912375 89503 303621448 621349 a-Alanine, conf. II
140853.6325 0.8861 -4.6412 3 376.9912375 89503 303621448 621449 a-Alanine, conf. II
140853.6325 0.8861 -4.6412 3 376.9912375 89503 303621548 621349 a-Alanine, conf. II
140853.6325 0.8861 -5.1796 3 376.9912375 89503 303621548 621449 a-Alanine, conf. II
140869.3703 4.4665 -5.1912 3 267.6400327 89503 30354 846 54 747 a-Alanine, conf. II
140869.3703 4.4665 -4.6078 3 267.6400327 89503 30354 846 54 847 a-Alanine, conf. II
140869.3703 4.4665 -4.6078 3 267.6400327 89503 30354 946 54 747 a-Alanine, conf. II
140869.3703 4.4665 -5.1912 3 267.6400327 89503 30354 946 54 847 a-Alanine, conf. II
140869.7127 0.1042 -5.4993 3 18.2790 81 89503 30313 9 5 12 7 6 a-Alanine, conf. II
140932.7727 1.0947 -5.2862 3 140.5082213 89503 303351917 351718 a-Alanine, conf. II
140959.2829 54.2549 -5.2165 3 740.7213507 89503 303842856 842857 a-Alanine, conf. II
140961.8555 54.2300 -5.6262 3 740.7212507 89503 303842856 842757 a-Alanine, conf. II
140968.6983 0.3008 -4.2656 3 94.4063153 89503 3032523 2 2423 1 a-Alanine, conf. II
140968.6983 0.3008 -4.2656 3 94.4063153 89503 3032523 3 2423 2 a-Alanine, conf. II
140980.0903 54.0530 -5.6261 3 740.7213507 89503 303842956 842857 a-Alanine, conf. II
140982.6629 54.0281 -5.2164 3 740.7212507 89503 303842956 842757 a-Alanine, conf. II
141000.0216 4.1197 -5.3400 3 199.9841261 89503 303431825 431628 a-Alanine, conf. II
141012.2591 4.2367 -5.1459 3 318.3742303 89503 303503416 503317 a-Alanine, conf. II
141012.2591 4.2367 -5.1459 3 318.3742303 89503 303503417 503318 a-Alanine, conf. II
141074.7954 0.0978 -5.3097 3 32.6927111 89503 30318 810 17 711 a-Alanine, conf. II
141101.5291 0.2685 -4.0912 3 91.1776153 89503 3032522 3 2422 2 a-Alanine, conf. II
141101.5291 0.2685 -4.0912 3 91.1776153 89503 3032522 4 2422 3 a-Alanine, conf. II
141109.3678 5.5726 -5.3129 3 531.8629411 89503 303683632 683533 a-Alanine, conf. II
141109.3800 5.5725 -5.3129 3 531.8629411 89503 303683633 683534 a-Alanine, conf. II
141133.6792 3.1449 -5.1637 3 320.4505351 89503 303581147 581048 a-Alanine, conf. II
141133.6792 3.1449 -4.6019 3 320.4505351 89503 303581147 581148 a-Alanine, conf. II
141133.6792 3.1449 -4.6019 3 320.4505351 89503 303581247 581048 a-Alanine, conf. II
141133.6792 3.1449 -5.1637 3 320.4505351 89503 303581247 581148 a-Alanine, conf. II
141160.7559 1.0799 -5.2850 3 140.5006213 89503 303351916 351719 a-Alanine, conf. II
141176.9829 0.0379 -4.9345 3 63.1846153 89503 30325 817 24 916 a-Alanine, conf. II
141205.4413 7.9590 -5.4312 3 618.8894447 89503 303743737 743638 a-Alanine, conf. II
141205.8248 7.9559 -5.4312 3 618.8894447 89503 303743738 743639 a-Alanine, conf. II
141209.6971 17.6861 -4.8980 3 563.7589447 89503 303742252 742253 a-Alanine, conf. II
141209.7090 17.6860 -5.3673 3 563.7589447 89503 303742252 742153 a-Alanine, conf. II
141209.8294 17.6855 -5.3673 3 563.7589447 89503 303742352 742253 a-Alanine, conf. II
141209.8414 17.6854 -4.8980 3 563.7589447 89503 303742352 742153 a-Alanine, conf. II
141238.0532 1.7487 -5.1404 3 242.0686285 89503 303472126 471929 a-Alanine, conf. II
141254.6246 0.2376 -3.9682 3 88.0973153 89503 3032521 4 2421 3 a-Alanine, conf. II
141254.6246 0.2376 -3.9682 3 88.0973153 89503 3032521 5 2421 4 a-Alanine, conf. II
141282.9427 0.0638 -5.0371 3 53.8785141 89503 30323 915 22 814 a-Alanine, conf. II
141343.4255 0.0381 -3.5002 3 61.2599147 89503 303241113 231112 a-Alanine, conf. II
141343.9438 4.2837 -5.1487 3 308.8986297 89503 303493415 493316 a-Alanine, conf. II
141343.9438 4.2837 -5.1487 3 308.8986297 89503 303493416 493317 a-Alanine, conf. II
141389.8161 4.4456 -5.1979 3 428.5511363 89503 303603525 603426 a-Alanine, conf. II
141389.8161 4.4456 -5.1979 3 428.5511363 89503 303603526 603427 a-Alanine, conf. II
141394.2110 0.4067 -5.1902 3 136.8546219 89503 303361323 351520 a-Alanine, conf. II
141410.1522 0.5398 -5.5672 3 133.7300213 89503 303351620 341717 a-Alanine, conf. II
141411.4522 2.3866 -5.2090 3 420.6213393 89503 303651649 651550 a-Alanine, conf. II
141411.4522 2.3866 -4.6866 3 420.6213393 89503 303651649 651650 a-Alanine, conf. II
141411.4523 2.3866 -4.6866 3 420.6213393 89503 303651749 651550 a-Alanine, conf. II
141411.4523 2.3866 -5.2090 3 420.6213393 89503 303651749 651650 a-Alanine, conf. II
141431.5574 0.0812 -4.9436 3 34.8516111 89503 3031810 9 17 9 8 a-Alanine, conf. II
141432.4437 0.2080 -3.8737 3 85.1662153 89503 3032520 5 2420 4 a-Alanine, conf. II
141432.4437 0.2080 -3.8737 3 85.1662153 89503 3032520 6 2420 5 a-Alanine, conf. II
141462.8085 1.3627 -5.1330 3 232.8657279 89503 303462125 461928 a-Alanine, conf. II
141476.4489 75.1534 -5.3745 3 547.7818429 89503 303713042 712843 a-Alanine, conf. II
141525.5749 5.1871 -5.4503 3 193.1403291 89503 30348 345 48 246 a-Alanine, conf. II
141525.5749 5.1871 -4.8337 3 193.1403291 89503 30348 345 48 346 a-Alanine, conf. II
141525.5749 5.1871 -4.8337 3 193.1403291 89503 30348 445 48 246 a-Alanine, conf. II
141525.5749 5.1871 -5.4503 3 193.1403291 89503 30348 445 48 346 a-Alanine, conf. II
141527.9515 1.0265 -5.6374 3 89.8220165 89503 303271810 271611 a-Alanine, conf. II
141528.4763 1.0265 -5.6374 3 89.8220165 89503 3032718 9 271612 a-Alanine, conf. II
141572.5718 0.0928 -4.8901 3 28.3722105 89503 30317 710 16 511 a-Alanine, conf. II
141573.9215 11.8839 -5.5479 3 697.7039477 89503 303793841 793742 a-Alanine, conf. II
141577.5086 11.8454 -5.5479 3 697.7038477 89503 303793842 793743 a-Alanine, conf. II
141586.4739 32.2005 -5.0442 3 649.4941477 89503 303792554 792555 a-Alanine, conf. II
141586.6691 32.1992 -5.4853 3 649.4940477 89503 303792554 792455 a-Alanine, conf. II
141588.3169 32.1877 -5.4853 3 649.4941477 89503 303792654 792555 a-Alanine, conf. II
141588.5121 32.1864 -5.0442 3 649.4940477 89503 303792654 792455 a-Alanine, conf. II
141596.2854 0.1339 -3.3582 3 69.5391177 89503 30329 227 28 226 a-Alanine, conf. II
141596.2854 0.1339 -4.4984 3 69.5391177 89503 30329 227 28 326 a-Alanine, conf. II
141596.2854 0.1339 -4.4984 3 69.5391177 89503 30329 327 28 226 a-Alanine, conf. II
141596.2854 0.1339 -3.3582 3 69.5391177 89503 30329 327 28 326 a-Alanine, conf. II
141626.8694 11.0087 -4.8158 3 514.0216429 89503 303712051 712052 a-Alanine, conf. II
141626.8706 11.0087 -5.3040 3 514.0216429 89503 303712051 711952 a-Alanine, conf. II
141626.8844 11.0087 -5.3040 3 514.0216429 89503 303712151 712052 a-Alanine, conf. II
141626.8855 11.0087 -4.8158 3 514.0216429 89503 303712151 711952 a-Alanine, conf. II
141640.8373 0.1798 -3.7972 3 82.3852153 89503 3032519 6 2419 5 a-Alanine, conf. II
141640.8373 0.1798 -3.7972 3 82.3852153 89503 3032519 7 2419 6 a-Alanine, conf. II
141654.2748 4.3328 -5.1536 3 299.6187291 89503 303483414 483315 a-Alanine, conf. II
141654.2748 4.3328 -5.1536 3 299.6187291 89503 303483415 483316 a-Alanine, conf. II
141680.1322 6.0037 -4.7451 3 466.3034411 89503 303681850 681851 a-Alanine, conf. II
141680.1323 6.0037 -5.2509 3 466.3034411 89503 303681850 681751 a-Alanine, conf. II
141680.1336 6.0037 -5.2509 3 466.3034411 89503 303681950 681851 a-Alanine, conf. II
141680.1338 6.0037 -4.7451 3 466.3034411 89503 303681950 681751 a-Alanine, conf. II
141728.7425 0.6872 -5.5893 3 142.7584219 89503 303361720 351817 a-Alanine, conf. II
141733.0093 4.8913 -5.2139 3 253.8312321 89503 30353 746 53 647 a-Alanine, conf. II
141733.0093 4.8913 -4.6233 3 253.8312321 89503 30353 746 53 747 a-Alanine, conf. II
141733.0093 4.8913 -4.6233 3 253.8312321 89503 30353 846 53 647 a-Alanine, conf. II
141733.0093 4.8913 -5.2139 3 253.8312321 89503 30353 846 53 747 a-Alanine, conf. II
141782.0056 64.3592 -5.2811 3 777.7700519 89503 303862957 862958 a-Alanine, conf. II
141821.4058 63.9267 -5.2808 3 777.7699519 89503 303863057 862858 a-Alanine, conf. II
141887.6604 0.1529 -3.7332 3 79.7557153 89503 3032518 7 2418 6 a-Alanine, conf. II
141887.6604 0.1529 -3.7332 3 79.7557153 89503 3032518 8 2418 7 a-Alanine, conf. II
141907.4874 4.4861 -5.1551 3 244.5988285 89503 303472226 472027 a-Alanine, conf. II
141914.1494 0.0294 -4.6436 3 67.3560165 89503 30327 522 26 621 a-Alanine, conf. II
141914.2490 0.0294 -3.4089 3 67.3560165 89503 30327 622 26 621 a-Alanine, conf. II
141914.4320 0.0294 -3.4089 3 67.3560165 89503 30327 522 26 521 a-Alanine, conf. II
141914.5316 0.0294 -4.6436 3 67.3560165 89503 30327 622 26 521 a-Alanine, conf. II
141929.4776 5.3653 -5.2941 3 518.8302405 89503 303673631 673532 a-Alanine, conf. II
141929.4820 5.3653 -5.2941 3 518.8302405 89503 303673632 673533 a-Alanine, conf. II
141944.3988 4.3836 -5.1609 3 290.5343285 89503 303473413 473314 a-Alanine, conf. II
141944.3988 4.3836 -5.1609 3 290.5343285 89503 303473414 473315 a-Alanine, conf. II
141948.7277 0.0845 -4.9414 3 34.8379111 89503 3031810 8 17 9 9 a-Alanine, conf. II
141952.5288 4.4333 -5.1870 3 417.1108357 89503 303593524 593425 a-Alanine, conf. II
141952.5288 4.4333 -5.1870 3 417.1108357 89503 303593525 593426 a-Alanine, conf. II
142022.4451 0.8450 -5.6147 3 152.1271225 89503 303371820 361917 a-Alanine, conf. II
142031.4415 0.7034 -5.2494 3 144.0804225 89503 303371324 361521 a-Alanine, conf. II
142088.7204 1.7829 -5.1713 3 361.3103369 89503 303611348 611249 a-Alanine, conf. II
142088.7204 1.7829 -4.6242 3 361.3103369 89503 303611348 611349 a-Alanine, conf. II
142088.7204 1.7829 -4.6242 3 361.3103369 89503 303611448 611249 a-Alanine, conf. II
142088.7204 1.7829 -5.1713 3 361.3103369 89503 303611448 611349 a-Alanine, conf. II
142107.4407 0.0637 -4.8531 3 29.0807105 89503 30317 8 9 16 610 a-Alanine, conf. II
142158.5031 5.2602 -5.5947 3 180.7636285 89503 30347 245 47 146 a-Alanine, conf. II
142158.5031 5.2602 -4.9718 3 180.7636285 89503 30347 245 47 246 a-Alanine, conf. II
142158.5031 5.2602 -4.9718 3 180.7636285 89503 30347 345 47 146 a-Alanine, conf. II
142158.5031 5.2602 -5.5947 3 180.7636285 89503 30347 345 47 246 a-Alanine, conf. II
142167.2680 3.8856 -5.1673 3 305.6976345 89503 303571047 57 948 a-Alanine, conf. II
142167.2680 3.8856 -4.5976 3 305.6976345 89503 303571047 571048 a-Alanine, conf. II
142167.2680 3.8856 -4.5976 3 305.6976345 89503 303571147 57 948 a-Alanine, conf. II
142167.2680 3.8856 -5.1673 3 305.6976345 89503 303571147 571048 a-Alanine, conf. II
142183.7642 0.1273 -3.6785 3 77.2796153 89503 3032517 9 2417 8 a-Alanine, conf. II
142183.7654 0.1273 -3.6785 3 77.2796153 89503 3032517 8 2417 7 a-Alanine, conf. II
142189.8419 0.8664 -5.6136 3 152.1269225 89503 303371819 361918 a-Alanine, conf. II
142215.3945 4.4357 -5.1707 3 281.6450279 89503 303463412 463313 a-Alanine, conf. II
142215.3945 4.4357 -5.1707 3 281.6450279 89503 303463413 463314 a-Alanine, conf. II
142236.2130 0.0533 -5.3339 3 20.6803 93 89503 30315 610 14 411 a-Alanine, conf. II
142260.0166 7.3721 -5.4072 3 604.6548441 89503 303733736 733637 a-Alanine, conf. II
142260.1680 7.3709 -5.4072 3 604.6548441 89503 303733737 733638 a-Alanine, conf. II
142291.2858 0.7393 -5.5854 3 142.7576219 89503 303361719 351818 a-Alanine, conf. II
142303.2532 1.3195 -5.1824 3 179.6157243 89503 303402020 401823 a-Alanine, conf. II
142342.9684 4.8642 -5.2803 3 219.4440273 89503 303451926 451729 a-Alanine, conf. II
142421.2127 1.0183 -5.6412 3 161.8334231 89503 303381920 372017 a-Alanine, conf. II
142467.8430 1.0264 -5.6409 3 161.8334231 89503 303381919 372018 a-Alanine, conf. II
142468.2795 4.4888 -5.1834 3 272.9503273 89503 303453411 453312 a-Alanine, conf. II
142468.2795 4.4888 -5.1834 3 272.9503273 89503 303453412 453313 a-Alanine, conf. II
142481.6577 4.4342 -5.1774 3 405.8703351 89503 303583523 583424 a-Alanine, conf. II
142481.6577 4.4342 -5.1774 3 405.8703351 89503 303583524 583425 a-Alanine, conf. II
142504.3587 76.0502 -5.3487 3 815.6795531 89503 303883058 883059 a-Alanine, conf. II
142544.6978 0.1030 -3.6308 3 74.9594153 89503 303251610 2416 9 a-Alanine, conf. II
142544.7256 0.1030 -3.6308 3 74.9594153 89503 3032516 9 2416 8 a-Alanine, conf. II
142544.7665 5.2380 -5.2463 3 240.2540315 89503 30352 646 52 547 a-Alanine, conf. II
142544.7665 5.2380 -4.6487 3 240.2540315 89503 30352 646 52 647 a-Alanine, conf. II
142544.7665 5.2380 -4.6487 3 240.2540315 89503 30352 746 52 547 a-Alanine, conf. II
142544.7665 5.2380 -5.2463 3 240.2540315 89503 30352 746 52 647 a-Alanine, conf. II
142553.7248 0.0182 -3.4520 3 63.1846153 89503 30325 917 24 916 a-Alanine, conf. II
142570.0503 75.2386 -5.3483 3 815.6792531 89503 303883158 882959 a-Alanine, conf. II
142586.8707 4.6976 -5.6270 3 208.7963267 89503 303441826 432023 a-Alanine, conf. II
142601.5749 22.0186 -4.9450 3 596.4235459 89503 303762353 762354 a-Alanine, conf. II
142601.5981 22.0185 -5.4068 3 596.4235459 89503 303762353 762254 a-Alanine, conf. II
142601.8211 22.0172 -5.4068 3 596.4235459 89503 303762453 762354 a-Alanine, conf. II
142601.8443 22.0171 -4.9450 3 596.4235459 89503 303762453 762254 a-Alanine, conf. II
142697.6991 0.2846 -4.6871 3 31.8885 93 89503 3031514 1 1413 2 a-Alanine, conf. II
142697.6991 0.2846 -4.6871 3 31.8885 93 89503 3031514 2 1413 1 a-Alanine, conf. II
142700.4028 5.2048 -5.2764 3 506.0013399 89503 303663630 663531 a-Alanine, conf. II
142700.4043 5.2048 -5.2764 3 506.0013399 89503 303663631 663532 a-Alanine, conf. II
142704.0154 4.5424 -5.1995 3 264.4499267 89503 303443410 443311 a-Alanine, conf. II
142704.0154 4.5424 -5.1995 3 264.4499267 89503 303443411 443312 a-Alanine, conf. II
142724.5048 38.8496 -5.0999 3 684.3610489 89503 303812655 812656 a-Alanine, conf. II
142724.8627 38.8468 -5.5330 3 684.3610489 89503 303812655 812556 a-Alanine, conf. II
142727.7516 38.8237 -5.5330 3 684.3610489 89503 303812755 812656 a-Alanine, conf. II
142728.1094 38.8209 -5.0999 3 684.3610489 89503 303812755 812556 a-Alanine, conf. II
142752.6804 5.2835 -5.2357 3 168.6259279 89503 30346 145 46 146 a-Alanine, conf. II
142752.6804 5.2835 -5.2357 3 168.6259279 89503 30346 245 46 046 a-Alanine, conf. II
142796.1934 1.0521 -5.1946 3 404.2445387 89503 303641549 641450 a-Alanine, conf. II
142796.1934 1.0521 -4.6627 3 404.2445387 89503 303641549 641550 a-Alanine, conf. II
142796.1934 1.0521 -4.6627 3 404.2445387 89503 303641649 641450 a-Alanine, conf. II
142796.1934 1.0521 -5.1946 3 404.2445387 89503 303641649 641550 a-Alanine, conf. II
142815.6149 0.0497 -4.9709 3 58.4208147 89503 30324 916 23 815 a-Alanine, conf. II
142850.8000 10.6836 -5.5196 3 682.4651471 89503 303783840 783741 a-Alanine, conf. II
142852.3147 10.6680 -5.5196 3 682.4651471 89503 303783841 783742 a-Alanine, conf. II
142861.6502 3.1852 -5.1594 3 251.4510291 89503 303482127 481930 a-Alanine, conf. II
142894.7300 0.8146 -5.2432 3 145.5831225 89503 303371423 361620 a-Alanine, conf. II
142896.1154 1.4624 -5.1330 3 223.8526273 89503 303452124 451927 a-Alanine, conf. II
142899.0654 1.0931 -5.3187 3 133.7300207 89503 303341916 341717 a-Alanine, conf. II
142923.5131 4.5963 -5.2196 3 256.1433261 89503 3034334 9 433310 a-Alanine, conf. II
142923.5131 4.5963 -5.2196 3 256.1433261 89503 303433410 433311 a-Alanine, conf. II
142951.0119 59.4920 -5.3280 3 503.2926411 89503 303682940 682741 a-Alanine, conf. II
142979.1916 4.4459 -5.1690 3 394.8291345 89503 303573522 573423 a-Alanine, conf. II
142979.1916 4.4459 -5.1690 3 394.8291345 89503 303573523 573424 a-Alanine, conf. II
142989.5420 1.0876 -5.3182 3 133.7270207 89503 303341915 341718 a-Alanine, conf. II
142993.7196 0.0803 -3.5885 3 72.7986153 89503 303251511 241510 a-Alanine, conf. II
142994.2327 0.0803 -3.5885 3 72.7986153 89503 303251510 2415 9 a-Alanine, conf. II
143047.2669 0.2311 -3.3298 3 71.4193183 89503 30330 129 29 128 a-Alanine, conf. II
143047.2669 0.2311 -4.4483 3 71.4193183 89503 30330 129 29 228 a-Alanine, conf. II
143047.2669 0.2311 -4.4483 3 71.4193183 89503 30330 229 29 128 a-Alanine, conf. II
143047.2669 0.2311 -3.3298 3 71.4193183 89503 30330 229 29 228 a-Alanine, conf. II
143117.6137 89.6096 -5.4195 3 854.4474543 89503 303903159 903160 a-Alanine, conf. II
143127.6368 4.6504 -5.2443 3 248.0303255 89503 3034234 8 4233 9 a-Alanine, conf. II
143127.6368 4.6504 -5.2443 3 248.0303255 89503 3034234 9 423310 a-Alanine, conf. II
143138.6909 4.5284 -5.1761 3 291.1715339 89503 30356 947 56 848 a-Alanine, conf. II
143138.6909 4.5284 -4.5988 3 291.1715339 89503 30356 947 56 948 a-Alanine, conf. II
143138.6909 4.5284 -4.5988 3 291.1715339 89503 303561047 56 848 a-Alanine, conf. II
143138.6909 4.5284 -5.1761 3 291.1715339 89503 303561047 56 948 a-Alanine, conf. II
143151.1529 0.6508 -5.5544 3 133.7270213 89503 303351619 341718 a-Alanine, conf. II
143176.2671 14.2251 -4.8570 3 545.3450441 89503 303732152 732153 a-Alanine, conf. II
143176.2695 14.2251 -5.3381 3 545.3450441 89503 303732152 732053 a-Alanine, conf. II
143176.2961 14.2250 -5.3381 3 545.3450441 89503 303732252 732153 a-Alanine, conf. II
143176.2986 14.2250 -4.8570 3 545.3450441 89503 303732252 732053 a-Alanine, conf. II
143218.7167 0.1666 -5.3440 3 82.4761171 89503 303281117 271216 a-Alanine, conf. II
143226.0057 88.1090 -5.4188 3 854.4469543 89503 303903259 903060 a-Alanine, conf. II
143233.1954 3.9478 -4.7153 3 449.2387405 89503 303671750 671751 a-Alanine, conf. II
143233.1955 3.9478 -5.2311 3 449.2387405 89503 303671750 671651 a-Alanine, conf. II
143233.1957 3.9478 -4.7153 3 449.2387405 89503 303671850 671651 a-Alanine, conf. II
143233.1957 3.9478 -5.2311 3 449.2387405 89503 303671850 671751 a-Alanine, conf. II
143247.9718 2.7719 -5.1664 3 345.8503363 89503 303601248 601149 a-Alanine, conf. II
143247.9718 2.7719 -4.6109 3 345.8503363 89503 303601248 601249 a-Alanine, conf. II
143247.9718 2.7719 -4.6109 3 345.8503363 89503 303601348 601149 a-Alanine, conf. II
143247.9718 2.7719 -5.1664 3 345.8503363 89503 303601348 601249 a-Alanine, conf. II
143248.9535 6.8963 -5.3842 3 590.6273435 89503 303723735 723636 a-Alanine, conf. II
143249.0118 6.8959 -5.3842 3 590.6273435 89503 303723736 723637 a-Alanine, conf. II
143307.9872 5.5118 -5.2915 3 226.9101309 89503 30351 546 51 447 a-Alanine, conf. II
143307.9872 5.5118 -4.6872 3 226.9101309 89503 30351 546 51 547 a-Alanine, conf. II
143307.9872 5.5118 -4.6872 3 226.9101309 89503 30351 646 51 447 a-Alanine, conf. II
143307.9872 5.5118 -5.2915 3 226.9101309 89503 30351 646 51 547 a-Alanine, conf. II
143317.2081 4.7044 -5.2747 3 240.1106249 89503 3034134 7 4133 8 a-Alanine, conf. II
143317.2081 4.7044 -5.2747 3 240.1106249 89503 3034134 8 4133 9 a-Alanine, conf. II
143317.4376 0.0502 -4.5754 3 69.8501171 89503 30328 424 27 523 a-Alanine, conf. II
143317.4389 0.0502 -3.3808 3 69.8501171 89503 30328 524 27 523 a-Alanine, conf. II
143317.4415 0.0502 -3.3808 3 69.8501171 89503 30328 424 27 423 a-Alanine, conf. II
143317.4428 0.0502 -4.5754 3 69.8501171 89503 30328 524 27 423 a-Alanine, conf. II
143371.6384 8.3199 -4.7803 3 496.2776423 89503 303701951 701952 a-Alanine, conf. II
143371.6386 8.3199 -5.2793 3 496.2776423 89503 303701951 701852 a-Alanine, conf. II
143371.6414 8.3199 -5.2793 3 496.2776423 89503 303702051 701952 a-Alanine, conf. II
143371.6416 8.3199 -4.7803 3 496.2776423 89503 303702051 701852 a-Alanine, conf. II
143425.5730 5.0829 -5.2598 3 493.3754393 89503 303653629 653530 a-Alanine, conf. II
143425.5736 5.0829 -5.2598 3 493.3754393 89503 303653630 653531 a-Alanine, conf. II
143446.9587 4.4667 -5.1619 3 383.9866339 89503 303563521 563422 a-Alanine, conf. II
143446.9587 4.4667 -5.1619 3 383.9866339 89503 303563522 563423 a-Alanine, conf. II
143493.0093 4.7581 -5.3122 3 232.3837243 89503 3034034 6 4033 7 a-Alanine, conf. II
143493.0093 4.7581 -5.3122 3 232.3837243 89503 3034034 7 4033 8 a-Alanine, conf. II
143518.3434 0.0720 -5.1941 3 22.5667 93 89503 30315 8 8 14 6 9 a-Alanine, conf. II
143565.9998 0.0591 -3.5505 3 70.8022153 89503 303251412 241411 a-Alanine, conf. II
143573.3934 0.0593 -3.5505 3 70.8023153 89503 303251411 241410 a-Alanine, conf. II
143610.4107105.4074 -5.4934 3 894.0711555 89503 303923260 923261 a-Alanine, conf. II
143655.7862 4.8114 -5.3589 3 224.8494237 89503 3033934 5 3933 6 a-Alanine, conf. II
143655.7862 4.8114 -5.3589 3 224.8494237 89503 3033934 6 3933 7 a-Alanine, conf. II
143765.9219 0.2632 -5.5628 3 123.1819207 89503 303341421 331518 a-Alanine, conf. II
143783.1155 1.4137 -5.2051 3 171.8481237 89503 303392020 391821 a-Alanine, conf. II
143784.0366 46.5319 -5.1587 3 720.0957501 89503 303832756 832757 a-Alanine, conf. II
143784.6843 46.5261 -5.5836 3 720.0957501 89503 303832756 832657 a-Alanine, conf. II
143787.4410102.6735 -5.4924 3 894.0704555 89503 303923360 923161 a-Alanine, conf. II
143789.6875 46.4804 -5.5836 3 720.0957501 89503 303832856 832757 a-Alanine, conf. II
143790.3352 46.4746 -5.1586 3 720.0957501 89503 303832856 832657 a-Alanine, conf. II
143806.2511 4.8641 -5.4182 3 217.5073231 89503 3033834 4 3833 5 a-Alanine, conf. II
143806.2511 4.8641 -5.4182 3 217.5073231 89503 3033834 5 3833 6 a-Alanine, conf. II
143860.4355 0.0198 -4.7748 3 66.3802159 89503 30326 719 25 818 a-Alanine, conf. II
143879.0769 7.0878 -5.1564 3 275.8715303 89503 303502328 502129 a-Alanine, conf. II
143886.6458 4.4949 -5.1561 3 373.3424333 89503 303553520 553421 a-Alanine, conf. II
143886.6458 4.4949 -5.1561 3 373.3424333 89503 303553521 553422 a-Alanine, conf. II
143895.5144 0.3503 -5.4745 3 102.6321189 89503 303311318 301417 a-Alanine, conf. II
143925.9148 27.0761 -4.9951 3 629.9621471 89503 303782454 782455 a-Alanine, conf. II
143925.9591 27.0758 -5.4494 3 629.9621471 89503 303782454 782355 a-Alanine, conf. II
143926.3661 27.0732 -5.4494 3 629.9621471 89503 303782554 782455 a-Alanine, conf. II
143926.4105 27.0729 -4.9951 3 629.9621471 89503 303782554 782355 a-Alanine, conf. II
143927.2839 0.0188 -3.4261 3 66.3802159 89503 30326 819 25 818 a-Alanine, conf. II
143931.5240 0.0163 -3.4416 3 63.0927153 89503 30325 817 24 816 a-Alanine, conf. II
143945.0850 4.9162 -5.4953 3 210.3573225 89503 3033734 3 3733 4 a-Alanine, conf. II
143945.0850 4.9162 -5.4953 3 210.3573225 89503 3033734 4 3733 5 a-Alanine, conf. II
143967.6765123.9455 -5.5707 3 934.5482567 89503 303943361 943362 a-Alanine, conf. II
143998.5224 0.2131 -4.7299 3 32.9309 99 89503 3031613 4 1512 3 a-Alanine, conf. II
143998.5247 0.2131 -4.7299 3 32.9309 99 89503 3031613 3 1512 4 a-Alanine, conf. II
144019.6672 0.0180 -3.4255 3 66.3749159 89503 30326 719 25 718 a-Alanine, conf. II
144025.7012 5.7180 -5.3551 3 213.8009303 89503 30350 446 50 347 a-Alanine, conf. II
144025.7012 5.7180 -4.7442 3 213.8009303 89503 30350 446 50 447 a-Alanine, conf. II
144025.7012 5.7180 -4.7442 3 213.8009303 89503 30350 546 50 347 a-Alanine, conf. II
144025.7012 5.7180 -5.3551 3 213.8009303 89503 30350 546 50 447 a-Alanine, conf. II
144043.8955 9.7007 -5.4925 3 667.4365465 89503 303773839 773740 a-Alanine, conf. II
144044.5205 9.6945 -5.4925 3 667.4365465 89503 303773840 773741 a-Alanine, conf. II
144052.3174 5.0773 -5.1909 3 276.8738333 89503 30355 847 55 748 a-Alanine, conf. II
144052.3174 5.0773 -4.6063 3 276.8738333 89503 30355 847 55 848 a-Alanine, conf. II
144052.3174 5.0773 -4.6063 3 276.8738333 89503 30355 947 55 748 a-Alanine, conf. II
144052.3174 5.0773 -5.1909 3 276.8738333 89503 30355 947 55 848 a-Alanine, conf. II
144072.9398 4.9675 -5.6008 3 203.3988219 89503 3033634 2 3633 3 a-Alanine, conf. II
144072.9398 4.9675 -5.6008 3 203.3988219 89503 3033634 3 3633 4 a-Alanine, conf. II
144086.5156 0.0174 -4.7732 3 66.3749159 89503 30326 819 25 718 a-Alanine, conf. II
144094.5079 1.1511 -5.1829 3 388.0847381 89503 303631449 631350 a-Alanine, conf. II
144094.5079 1.1511 -4.6422 3 388.0847381 89503 303631449 631450 a-Alanine, conf. II
144094.5079 1.1511 -4.6422 3 388.0847381 89503 303631549 631350 a-Alanine, conf. II
144094.5079 1.1511 -5.1829 3 388.0847381 89503 303631549 631450 a-Alanine, conf. II
144108.0606 4.9931 -5.2443 3 480.9518387 89503 303643628 643529 a-Alanine, conf. II
144108.0607 4.9931 -5.2443 3 480.9518387 89503 303643629 643530 a-Alanine, conf. II
144177.5951 6.5124 -5.3623 3 576.8059429 89503 303713734 713635 a-Alanine, conf. II
144177.6170 6.5123 -5.3623 3 576.8059429 89503 303713735 713636 a-Alanine, conf. II
144218.4051 14.8076 -5.6185 3 749.2700495 89503 303823943 823844 a-Alanine, conf. II
144223.9057 14.7370 -5.6185 3 749.2698495 89503 303823944 823845 a-Alanine, conf. II
144239.5157 45.5501 -5.2855 3 460.6746393 89503 303652838 652639 a-Alanine, conf. II
144253.9059119.0362 -5.5690 3 934.5470567 89503 303943461 943262 a-Alanine, conf. II
144299.8149 4.5293 -5.1518 3 362.8959327 89503 303543519 543420 a-Alanine, conf. II
144299.8149 4.5293 -5.1518 3 362.8959327 89503 303543520 543421 a-Alanine, conf. II
144301.1909 0.0404 -3.5158 3 68.9780153 89503 303251313 241312 a-Alanine, conf. II
144337.3240 3.6734 -5.1653 3 330.6135357 89503 303591148 591049 a-Alanine, conf. II
144337.3240 3.6734 -4.6018 3 330.6135357 89503 303591148 591149 a-Alanine, conf. II
144337.3240 3.6734 -4.6018 3 330.6135357 89503 303591248 591049 a-Alanine, conf. II
144337.3240 3.6734 -5.1653 3 330.6135357 89503 303591248 591149 a-Alanine, conf. II
144346.6534 5.4413 -5.2322 3 239.7839285 89503 303472027 471830 a-Alanine, conf. II
144382.4239 0.0412 -3.5153 3 68.9795153 89503 303251312 241311 a-Alanine, conf. II
144495.1062 0.3761 -3.3019 3 73.1185189 89503 30331 031 30 030 a-Alanine, conf. II
144495.1062 0.3761 -4.4023 3 73.1185189 89503 30331 031 30 130 a-Alanine, conf. II
144495.1062 0.3761 -4.4023 3 73.1185189 89503 30331 131 30 030 a-Alanine, conf. II
144495.1062 0.3761 -3.3019 3 73.1185189 89503 30331 131 30 130 a-Alanine, conf. II
144531.6356 2.2232 -5.1613 3 206.5273261 89503 303432123 431924 a-Alanine, conf. II
144588.9478 1.1042 -5.3562 3 127.1648201 89503 303331915 331716 a-Alanine, conf. II
144622.9940 1.1022 -5.3560 3 127.1636201 89503 303331914 331717 a-Alanine, conf. II
144659.7668 0.0437 -3.4518 3 60.1293147 89503 303241014 231013 a-Alanine, conf. II
144663.7025 18.0228 -4.9015 3 577.5465453 89503 303752253 752254 a-Alanine, conf. II
144663.7073 18.0228 -5.3754 3 577.5465453 89503 303752253 752154 a-Alanine, conf. II
144663.7582 18.0225 -5.3754 3 577.5465453 89503 303752353 752254 a-Alanine, conf. II
144663.7630 18.0225 -4.9015 3 577.5465453 89503 303752353 752154 a-Alanine, conf. II
144679.1313 1.3088 -5.2004 3 171.8186237 89503 303392019 391822 a-Alanine, conf. II
144686.7525 2.1563 -5.2137 3 432.3866399 89503 303661650 661551 a-Alanine, conf. II
144686.7525 2.1563 -4.6884 3 432.3866399 89503 303661650 661651 a-Alanine, conf. II
144686.7525 2.1563 -4.6884 3 432.3866399 89503 303661750 661551 a-Alanine, conf. II
144686.7525 2.1563 -5.2137 3 432.3866399 89503 303661750 661651 a-Alanine, conf. II
144687.9165 4.5688 -5.1491 3 352.6466321 89503 303533518 533419 a-Alanine, conf. II
144687.9165 4.5688 -5.1491 3 352.6466321 89503 303533519 533420 a-Alanine, conf. II
144700.6658 5.8613 -5.4473 3 200.9279297 89503 30349 346 49 247 a-Alanine, conf. II
144700.6658 5.8613 -4.8302 3 200.9279297 89503 30349 346 49 347 a-Alanine, conf. II
144700.6658 5.8613 -4.8302 3 200.9279297 89503 30349 446 49 247 a-Alanine, conf. II
144700.6658 5.8613 -5.4473 3 200.9279297 89503 30349 446 49 347 a-Alanine, conf. II
144703.8863 0.0233 -3.4380 3 59.3021147 89503 30324 915 23 914 a-Alanine, conf. II
144750.6328 4.9297 -5.2298 3 468.7298381 89503 303633627 633528 a-Alanine, conf. II
144750.6329 4.9297 -5.2298 3 468.7298381 89503 303633628 633529 a-Alanine, conf. II
144752.6196 0.0931 -3.3527 3 72.1499177 89503 30329 326 28 325 a-Alanine, conf. II
144752.6196 0.0931 -4.5161 3 72.1499177 89503 30329 326 28 425 a-Alanine, conf. II
144752.6196 0.0931 -4.5161 3 72.1499177 89503 30329 426 28 325 a-Alanine, conf. II
144752.6196 0.0931 -3.3527 3 72.1499177 89503 30329 426 28 425 a-Alanine, conf. II
144761.4920 55.3862 -5.2205 3 756.6959513 89503 303852857 852858 a-Alanine, conf. II
144772.3724 55.2736 -5.2204 3 756.6959513 89503 303852957 852758 a-Alanine, conf. II
144877.9689 0.0208 -3.4479 3 64.5252153 89503 303251016 241015 a-Alanine, conf. II
144912.0490 5.5376 -5.2133 3 262.8063327 89503 30354 747 54 648 a-Alanine, conf. II
144912.0490 5.5376 -4.6216 3 262.8063327 89503 30354 747 54 748 a-Alanine, conf. II
144912.0490 5.5376 -4.6216 3 262.8063327 89503 30354 847 54 648 a-Alanine, conf. II
144912.0490 5.5376 -5.2133 3 262.8063327 89503 30354 847 54 748 a-Alanine, conf. II
145000.3794 5.9028 -5.2569 3 478.7414417 89503 303691851 691752 a-Alanine, conf. II
145000.3794 5.9028 -4.7477 3 478.7414417 89503 303691851 691852 a-Alanine, conf. II
145000.3799 5.9028 -5.2569 3 478.7414417 89503 303691951 691852 a-Alanine, conf. II
145000.3800 5.9028 -4.7477 3 478.7414417 89503 303691951 691752 a-Alanine, conf. II
145005.3564 11.1043 -4.8190 3 527.1336435 89503 303722052 722053 a-Alanine, conf. II
145005.3568 11.1043 -5.3110 3 527.1336435 89503 303722052 721953 a-Alanine, conf. II
145005.3624 11.1042 -5.3110 3 527.1336435 89503 303722152 722053 a-Alanine, conf. II
145005.3629 11.1042 -4.8190 3 527.1336435 89503 303722152 721953 a-Alanine, conf. II
145029.8021 1.5731 -5.1379 3 215.0384267 89503 303442123 441926 a-Alanine, conf. II
145050.6003 6.2046 -5.3415 3 563.1898423 89503 303703733 703634 a-Alanine, conf. II
145050.6084 6.2045 -5.3415 3 563.1898423 89503 303703734 703635 a-Alanine, conf. II
145052.3025 4.6125 -5.1480 3 342.5942315 89503 303523517 523418 a-Alanine, conf. II
145052.3025 4.6125 -5.1480 3 342.5942315 89503 303523518 523419 a-Alanine, conf. II
145144.3804 0.0266 -3.4842 3 67.3348153 89503 303251214 241213 a-Alanine, conf. II
145158.6031 10.9939 -5.1676 3 309.0439321 89503 303532430 532231 a-Alanine, conf. II
145160.7212 0.0248 -4.6775 3 69.3455165 89503 30327 621 26 720 a-Alanine, conf. II
145161.2142 8.8944 -5.4665 3 652.6168459 89503 303763838 763739 a-Alanine, conf. II
145161.4662 8.8920 -5.4665 3 652.6167459 89503 303763839 763740 a-Alanine, conf. II
145162.6190 0.0248 -3.4006 3 69.3455165 89503 30327 721 26 720 a-Alanine, conf. II
145165.7542 0.0248 -3.4006 3 69.3453165 89503 30327 621 26 620 a-Alanine, conf. II
145167.6521 0.0247 -4.6774 3 69.3453165 89503 30327 721 26 620 a-Alanine, conf. II
145180.6837 32.9507 -5.0483 3 664.3728483 89503 303802555 802556 a-Alanine, conf. II
145180.7672 32.9501 -5.4950 3 664.3728483 89503 303802555 802456 a-Alanine, conf. II
145181.5002 32.9447 -5.4950 3 664.3728483 89503 303802655 802556 a-Alanine, conf. II
145181.5838 32.9441 -5.0483 3 664.3728483 89503 303802655 802456 a-Alanine, conf. II
145215.3317 33.6907 -5.2474 3 419.9348375 89503 303622736 622537 a-Alanine, conf. II
145244.3668 0.1562 -4.7799 3 34.3345105 89503 3031712 6 1611 5 a-Alanine, conf. II
145244.8741 0.1562 -4.7799 3 34.3344105 89503 3031712 5 1611 6 a-Alanine, conf. II
145308.2660 0.0334 -4.9023 3 63.0927153 89503 30325 917 24 816 a-Alanine, conf. II
145313.6704 2.2253 -5.1743 3 372.1441375 89503 303621349 621250 a-Alanine, conf. II
145313.6704 2.2253 -4.6251 3 372.1441375 89503 303621349 621350 a-Alanine, conf. II
145313.6704 2.2253 -4.6251 3 372.1441375 89503 303621449 621250 a-Alanine, conf. II
145313.6704 2.2253 -5.1743 3 372.1441375 89503 303621449 621350 a-Alanine, conf. II
145322.2320 0.0980 -5.3659 3 20.7948 87 89503 30314 9 5 13 7 6 a-Alanine, conf. II
145335.4028 5.9466 -5.5913 3 188.2924291 89503 30348 246 48 147 a-Alanine, conf. II
145335.4028 5.9466 -4.9680 3 188.2924291 89503 30348 246 48 247 a-Alanine, conf. II
145335.4028 5.9466 -4.9680 3 188.2924291 89503 30348 346 48 147 a-Alanine, conf. II
145335.4028 5.9466 -5.5913 3 188.2924291 89503 30348 346 48 247 a-Alanine, conf. II
145355.7956 4.8883 -5.2165 3 456.7088375 89503 303623626 623527 a-Alanine, conf. II
145355.7956 4.8883 -5.2165 3 456.7088375 89503 303623627 623528 a-Alanine, conf. II
145361.9885 4.4694 -5.1686 3 315.6017351 89503 303581048 58 949 a-Alanine, conf. II
145361.9885 4.4694 -4.5973 3 315.6017351 89503 303581048 581049 a-Alanine, conf. II
145361.9885 4.4694 -4.5973 3 315.6017351 89503 303581148 58 949 a-Alanine, conf. II
145361.9885 4.4694 -5.1686 3 315.6017351 89503 303581148 581049 a-Alanine, conf. II
145394.2359 4.6596 -5.1486 3 332.7381309 89503 303513516 513417 a-Alanine, conf. II
145394.2359 4.6596 -5.1486 3 332.7381309 89503 303513517 513418 a-Alanine, conf. II
145508.1350 0.5971 -5.5157 3 125.0362207 89503 303341519 331618 a-Alanine, conf. II
145568.2656 13.2122 -5.5883 3 733.4450489 89503 303813942 813843 a-Alanine, conf. II
145570.6325 13.1829 -5.5883 3 733.4449489 89503 303813943 813844 a-Alanine, conf. II
145633.5999 0.0220 -3.4592 3 65.8688153 89503 303251115 241114 a-Alanine, conf. II
145652.6402 65.5746 -5.2853 3 794.1595525 89503 303872958 872959 a-Alanine, conf. II
145671.2288 65.3570 -5.2851 3 794.1595525 89503 303873058 872859 a-Alanine, conf. II
145714.9001 4.7095 -5.1511 3 323.0779303 89503 303503515 503416 a-Alanine, conf. II
145714.9001 4.7095 -5.1511 3 323.0779303 89503 303503516 503417 a-Alanine, conf. II
145721.3901 5.9149 -5.2453 3 248.9704321 89503 30353 647 53 548 a-Alanine, conf. II
145721.3901 5.9149 -4.6467 3 248.9704321 89503 30353 647 53 648 a-Alanine, conf. II
145721.3901 5.9149 -4.6467 3 248.9704321 89503 30353 747 53 548 a-Alanine, conf. II
145721.3901 5.9149 -5.2453 3 248.9704321 89503 30353 747 53 648 a-Alanine, conf. II
145742.4650 5.1827 -5.5939 3 212.1677273 89503 303451530 441727 a-Alanine, conf. II
145759.3971 24.0433 -5.2144 3 381.0795357 89503 303592634 592435 a-Alanine, conf. II
145767.6822 16.5462 -5.1874 3 344.1143339 89503 303562532 562333 a-Alanine, conf. II
145786.7087 0.0314 -3.4802 3 67.3498153 89503 303251213 241212 a-Alanine, conf. II
145791.0765 0.0715 -5.0162 3 69.3578159 89503 30326 917 251016 a-Alanine, conf. II
145872.0705 5.9599 -5.3217 3 549.7780417 89503 303693732 693633 a-Alanine, conf. II
145872.0734 5.9599 -5.3217 3 549.7780417 89503 303693733 693634 a-Alanine, conf. II
145925.8283 4.8652 -5.2043 3 444.8882369 89503 303613625 613526 a-Alanine, conf. II
145925.8283 4.8652 -5.2043 3 444.8882369 89503 303613626 613527 a-Alanine, conf. II
145932.2283 5.9784 -5.2315 3 175.8959285 89503 30347 146 47 147 a-Alanine, conf. II
145932.2283 5.9784 -5.2315 3 175.8959285 89503 30347 246 47 047 a-Alanine, conf. II
145994.7312 0.1003 -5.3641 3 20.7720 87 89503 30314 9 6 13 7 7 a-Alanine, conf. II
146015.4066 4.7615 -5.1558 3 313.6133297 89503 303493514 493415 a-Alanine, conf. II
146015.4066 4.7615 -5.1558 3 313.6133297 89503 303493515 493416 a-Alanine, conf. II
146031.5128 0.0875 -5.1003 3 37.1929117 89503 30319 910 18 811 a-Alanine, conf. II
146049.8868 0.9280 -5.1990 3 415.7496393 89503 303651550 651451 a-Alanine, conf. II
146049.8868 0.9280 -4.6646 3 415.7496393 89503 303651550 651551 a-Alanine, conf. II
146049.8869 0.9280 -4.6646 3 415.7496393 89503 303651650 651451 a-Alanine, conf. II
146049.8869 0.9280 -5.1990 3 415.7496393 89503 303651650 651551 a-Alanine, conf. II
146062.2218 1.1234 -5.3989 3 120.8090195 89503 303321914 321715 a-Alanine, conf. II
146074.3583 1.1228 -5.3988 3 120.8086195 89503 303321913 321716 a-Alanine, conf. II
146087.7199 22.4760 -4.9492 3 610.6240465 89503 303772354 772355 a-Alanine, conf. II
146087.7295 22.4760 -5.4158 3 610.6240465 89503 303772354 772255 a-Alanine, conf. II
146087.8249 22.4754 -5.4158 3 610.6240465 89503 303772454 772355 a-Alanine, conf. II
146087.8345 22.4754 -4.9492 3 610.6240465 89503 303772454 772255 a-Alanine, conf. II
146199.9405 0.1675 -3.3250 3 74.2622183 89503 30330 228 29 227 a-Alanine, conf. II
146199.9405 0.1675 -4.4633 3 74.2622183 89503 30330 228 29 327 a-Alanine, conf. II
146199.9405 0.1675 -4.4633 3 74.2622183 89503 30330 328 29 227 a-Alanine, conf. II
146199.9405 0.1675 -3.3250 3 74.2622183 89503 30330 328 29 327 a-Alanine, conf. II
146209.4740 8.2334 -5.4416 3 638.0048453 89503 303753837 753738 a-Alanine, conf. II
146209.5733 8.2325 -5.4416 3 638.0048453 89503 303753838 753739 a-Alanine, conf. II
146281.9329 0.0782 -4.9440 3 38.3443117 89503 303191010 18 9 9 a-Alanine, conf. II
146296.8023 4.8153 -5.1627 3 304.3438291 89503 303483513 483414 a-Alanine, conf. II
146296.8023 4.8153 -5.1627 3 304.3438291 89503 303483514 483415 a-Alanine, conf. II
146317.6651 0.1130 -4.8441 3 36.1196111 89503 3031811 8 1710 7 a-Alanine, conf. II
146326.5738 5.1608 -5.1770 3 300.8167345 89503 30357 948 57 849 a-Alanine, conf. II
146326.5738 5.1608 -4.5983 3 300.8167345 89503 30357 948 57 949 a-Alanine, conf. II
146326.5738 5.1608 -4.5983 3 300.8167345 89503 303571048 57 849 a-Alanine, conf. II
146326.5738 5.1608 -5.1770 3 300.8167345 89503 303571048 57 949 a-Alanine, conf. II
146356.6073 0.0389 -5.5352 3 19.5500 93 89503 30315 411 14 212 a-Alanine, conf. II
146358.7171 0.1133 -4.8439 3 36.1185111 89503 3031811 7 1710 8 a-Alanine, conf. II
146363.5990 39.7457 -5.1046 3 699.6535495 89503 303822656 822657 a-Alanine, conf. II
146363.7543 39.7445 -5.5436 3 699.6535495 89503 303822656 822557 a-Alanine, conf. II
146365.0572 39.7334 -5.5436 3 699.6535495 89503 303822756 822657 a-Alanine, conf. II
146365.2125 39.7321 -5.1046 3 699.6535495 89503 303822756 822557 a-Alanine, conf. II
146452.3812 77.2902 -5.3531 3 832.4841537 89503 303893059 893060 a-Alanine, conf. II
146459.9914 3.2969 -5.1691 3 356.4249369 89503 303611249 611150 a-Alanine, conf. II
146459.9914 3.2969 -4.6117 3 356.4249369 89503 303611249 611250 a-Alanine, conf. II
146459.9914 3.2969 -4.6117 3 356.4249369 89503 303611349 611150 a-Alanine, conf. II
146459.9914 3.2969 -5.1691 3 356.4249369 89503 303611349 611250 a-Alanine, conf. II
146462.8135 4.8573 -5.1932 3 433.2674363 89503 303603624 603525 a-Alanine, conf. II
146462.8135 4.8573 -5.1932 3 433.2674363 89503 303603625 603526 a-Alanine, conf. II
146474.9890 0.3800 -4.5484 3 106.0009159 89503 3032625 1 2525 0 a-Alanine, conf. II
146474.9890 0.3800 -4.5484 3 106.0009159 89503 3032625 2 2525 1 a-Alanine, conf. II
146483.5062 6.2146 -5.2901 3 235.3678315 89503 30352 547 52 448 a-Alanine, conf. II
146483.5062 6.2146 -4.6850 3 235.3678315 89503 30352 547 52 548 a-Alanine, conf. II
146483.5062 6.2146 -4.6850 3 235.3678315 89503 30352 647 52 448 a-Alanine, conf. II
146483.5062 6.2146 -5.2901 3 235.3678315 89503 30352 647 52 548 a-Alanine, conf. II
146483.8024 76.8762 -5.3529 3 832.4840537 89503 303893159 892960 a-Alanine, conf. II
146510.2470 0.0367 -4.6013 3 72.0898171 89503 30328 523 27 622 a-Alanine, conf. II
146510.2816 0.0367 -3.3740 3 72.0898171 89503 30328 623 27 622 a-Alanine, conf. II
146510.3466 0.0367 -3.3740 3 72.0898171 89503 30328 523 27 522 a-Alanine, conf. II
146510.3813 0.0367 -4.6013 3 72.0898171 89503 30328 623 27 522 a-Alanine, conf. II
146524.6895 3.7458 -4.7180 3 461.4159411 89503 303681751 681752 a-Alanine, conf. II
146524.6896 3.7458 -5.2368 3 461.4159411 89503 303681751 681652 a-Alanine, conf. II
146524.6896 3.7458 -5.2368 3 461.4159411 89503 303681851 681752 a-Alanine, conf. II
146524.6897 3.7458 -4.7180 3 461.4159411 89503 303681851 681652 a-Alanine, conf. II
146525.7718 1.3383 -5.2242 3 164.2478231 89503 303382019 381820 a-Alanine, conf. II
146560.0748 4.8703 -5.1722 3 295.2691285 89503 303473512 473413 a-Alanine, conf. II
146560.0748 4.8703 -5.1722 3 295.2691285 89503 303473513 473414 a-Alanine, conf. II
146569.7339 0.1168 -5.1640 3 75.7785165 89503 303271017 261116 a-Alanine, conf. II
146580.2066 14.4167 -4.8610 3 558.8695447 89503 303742153 742154 a-Alanine, conf. II
146580.2075 14.4167 -5.3461 3 558.8695447 89503 303742153 742054 a-Alanine, conf. II
146580.2185 14.4167 -5.3461 3 558.8695447 89503 303742253 742154 a-Alanine, conf. II
146580.2195 14.4167 -4.8610 3 558.8695447 89503 303742253 742054 a-Alanine, conf. II
146589.9490 0.3435 -4.2480 3 102.4809159 89503 3032624 2 2524 1 a-Alanine, conf. II
146589.9490 0.3435 -4.2480 3 102.4809159 89503 3032624 3 2524 2 a-Alanine, conf. II
146607.7449 0.0279 -4.8517 3 67.9397159 89503 30326 818 25 917 a-Alanine, conf. II
146640.3984 2.3980 -5.4059 3 176.4674249 89503 303411427 401624 a-Alanine, conf. II
146645.6446 5.7677 -5.3029 3 536.5698411 89503 303683731 683632 a-Alanine, conf. II
146645.6456 5.7677 -5.3029 3 536.5698411 89503 303683732 683633 a-Alanine, conf. II
146712.1892 8.2884 -4.7838 3 509.1278429 89503 303711952 711953 a-Alanine, conf. II
146712.1893 8.2884 -5.2862 3 509.1278429 89503 303711952 711853 a-Alanine, conf. II
146712.1904 8.2884 -5.2862 3 509.1278429 89503 303712052 711953 a-Alanine, conf. II
146712.1905 8.2884 -4.7838 3 509.1278429 89503 303712052 711853 a-Alanine, conf. II
146720.8261 0.3085 -4.0729 3 99.1085159 89503 3032623 3 2523 2 a-Alanine, conf. II
146720.8261 0.3085 -4.0729 3 99.1085159 89503 3032623 4 2523 3 a-Alanine, conf. II
146806.1585 4.9262 -5.1847 3 286.3888279 89503 303463511 463412 a-Alanine, conf. II
146806.1585 4.9262 -5.1847 3 286.3888279 89503 303463512 463413 a-Alanine, conf. II
146829.3935 11.8990 -5.5593 3 717.8309483 89503 303803941 803842 a-Alanine, conf. II
146830.3895 11.8872 -5.5593 3 717.8308483 89503 303803942 803843 a-Alanine, conf. II
146870.7403 0.2748 -3.9493 3 95.8843159 89503 3032622 4 2522 3 a-Alanine, conf. II
146870.7403 0.2748 -3.9493 3 95.8843159 89503 3032622 5 2522 4 a-Alanine, conf. II
146917.5851 1.2964 -5.2221 3 164.2349231 89503 303382018 381821 a-Alanine, conf. II
146958.6746 0.2966 -5.6001 3 129.8898213 89503 303351422 341519 a-Alanine, conf. II
146968.6614 4.8620 -5.1833 3 421.8458357 89503 303593623 593524 a-Alanine, conf. II
146968.6615 4.8620 -5.1833 3 421.8458357 89503 303593624 593525 a-Alanine, conf. II
146999.2971 0.0356 -5.5330 3 19.5502 93 89503 30315 511 14 312 a-Alanine, conf. II
147010.6335 0.3625 -4.6271 3 33.8267 93 89503 3031515 0 1414 1 a-Alanine, conf. II
147010.6335 0.3625 -4.6271 3 33.8267 93 89503 3031515 1 1414 0 a-Alanine, conf. II
147035.9385 4.9827 -5.2005 3 277.7025273 89503 303453510 453411 a-Alanine, conf. II
147035.9385 4.9827 -5.2005 3 277.7025273 89503 303453511 453412 a-Alanine, conf. II
147043.6622 0.2426 -3.8541 3 92.8091159 89503 3032621 5 2521 4 a-Alanine, conf. II
147043.6622 0.2426 -3.8541 3 92.8091159 89503 3032621 6 2521 5 a-Alanine, conf. II
147066.5045 5.7786 -5.1953 3 261.0032297 89503 303492128 491931 a-Alanine, conf. II
147154.4359 90.7692 -5.4239 3 871.6672549 89503 303913160 913161 a-Alanine, conf. II
147169.7556 1.7302 -5.1257 3 263.3475297 89503 303492227 492030 a-Alanine, conf. II
147194.4208 7.6930 -5.4177 3 623.5995447 89503 303743836 743737 a-Alanine, conf. II
147194.4591 7.6926 -5.4177 3 623.5995447 89503 303743837 743738 a-Alanine, conf. II
147201.2717 6.4422 -5.3533 3 222.0000309 89503 30351 447 51 348 a-Alanine, conf. II
147201.2717 6.4422 -4.7418 3 222.0000309 89503 30351 447 51 448 a-Alanine, conf. II
147201.2717 6.4422 -4.7418 3 222.0000309 89503 30351 547 51 348 a-Alanine, conf. II
147201.2717 6.4422 -5.3533 3 222.0000309 89503 30351 547 51 448 a-Alanine, conf. II
147207.0028 89.9929 -5.4236 3 871.6670549 89503 303913260 913061 a-Alanine, conf. II
147235.1831 5.7525 -5.1914 3 286.2603339 89503 30356 848 56 749 a-Alanine, conf. II
147235.1831 5.7525 -4.6056 3 286.2603339 89503 30356 848 56 849 a-Alanine, conf. II
147235.1831 5.7525 -4.6056 3 286.2603339 89503 30356 948 56 749 a-Alanine, conf. II
147235.1831 5.7525 -5.1914 3 286.2603339 89503 30356 948 56 849 a-Alanine, conf. II
147244.7310 0.2117 -3.7770 3 89.8838159 89503 3032620 6 2520 5 a-Alanine, conf. II
147244.7310 0.2117 -3.7770 3 89.8838159 89503 3032620 7 2520 6 a-Alanine, conf. II
147250.2555 5.0396 -5.2202 3 269.2099267 89503 3034435 9 443410 a-Alanine, conf. II
147250.2555 5.0396 -5.2202 3 269.2099267 89503 303443510 443411 a-Alanine, conf. II
147257.0548 0.0177 -3.4149 3 67.9397159 89503 30326 918 25 917 a-Alanine, conf. II
147323.7525 0.3856 -5.5152 3 131.6605213 89503 303351521 341618 a-Alanine, conf. II
147330.3712 1.5211 -5.1870 3 399.3301387 89503 303641450 641351 a-Alanine, conf. II
147330.3712 1.5211 -4.6440 3 399.3301387 89503 303641450 641451 a-Alanine, conf. II
147330.3712 1.5211 -4.6440 3 399.3301387 89503 303641550 641351 a-Alanine, conf. II
147330.3712 1.5211 -5.1870 3 399.3301387 89503 303641550 641451 a-Alanine, conf. II
147357.2714 1.1483 -5.4469 3 114.6604189 89503 303311913 311714 a-Alanine, conf. II
147361.3622 1.1481 -5.4469 3 114.6603189 89503 303311912 311715 a-Alanine, conf. II
147374.5729 5.6191 -5.2851 3 523.5645405 89503 303673730 673631 a-Alanine, conf. II
147374.5732 5.6191 -5.2851 3 523.5645405 89503 303673731 673632 a-Alanine, conf. II
147445.1312 4.8773 -5.1747 3 410.6230351 89503 303583622 583523 a-Alanine, conf. II
147445.1312 4.8773 -5.1747 3 410.6230351 89503 303583623 583524 a-Alanine, conf. II
147446.7091 27.6670 -5.0000 3 644.5758477 89503 303792455 792456 a-Alanine, conf. II
147446.7277 27.6669 -5.4593 3 644.5758477 89503 303792455 792356 a-Alanine, conf. II
147446.9043 27.6657 -5.4593 3 644.5758477 89503 303792555 792456 a-Alanine, conf. II
147446.9229 27.6656 -5.0000 3 644.5758477 89503 303792555 792356 a-Alanine, conf. II
147449.9087 5.0966 -5.2446 3 260.9107261 89503 3034335 8 4334 9 a-Alanine, conf. II
147449.9087 5.0966 -5.2446 3 260.9107261 89503 3034335 9 433410 a-Alanine, conf. II
147472.0802 47.5776 -5.1638 3 735.8021507 89503 303842757 842758 a-Alanine, conf. II
147472.3650 47.5749 -5.5950 3 735.8021507 89503 303842757 842658 a-Alanine, conf. II
147474.6529 47.5527 -5.5950 3 735.8021507 89503 303842857 842758 a-Alanine, conf. II
147474.9377 47.5499 -5.1638 3 735.8021507 89503 303842857 842658 a-Alanine, conf. II
147480.7335 0.1822 -3.7125 3 87.1098159 89503 3032619 7 2519 6 a-Alanine, conf. II
147480.7335 0.1822 -3.7125 3 87.1098159 89503 3032619 8 2519 7 a-Alanine, conf. II
147487.6549 1.6106 -5.1466 3 206.4306261 89503 303432122 431925 a-Alanine, conf. II
147538.9917 4.2644 -5.1677 3 340.9290363 89503 303601149 601050 a-Alanine, conf. II
147538.9917 4.2644 -4.6025 3 340.9290363 89503 303601149 601150 a-Alanine, conf. II
147538.9917 4.2644 -4.6025 3 340.9290363 89503 303601249 601050 a-Alanine, conf. II
147538.9917 4.2644 -5.1677 3 340.9290363 89503 303601249 601150 a-Alanine, conf. II
147635.6598 5.1535 -5.2748 3 252.8046255 89503 3034235 7 4234 8 a-Alanine, conf. II
147635.6598 5.1535 -5.2748 3 252.8046255 89503 3034235 8 4234 9 a-Alanine, conf. II
147649.2194 0.2838 -3.2977 3 76.1909189 89503 30331 130 30 129 a-Alanine, conf. II
147649.2194 0.2838 -4.4153 3 76.1909189 89503 30331 130 30 229 a-Alanine, conf. II
147649.2194 0.2838 -4.4153 3 76.1909189 89503 30331 230 30 129 a-Alanine, conf. II
147649.2194 0.2838 -3.2977 3 76.1909189 89503 30331 230 30 229 a-Alanine, conf. II
147654.8189 0.0865 -4.9391 3 38.3089117 89503 3031910 9 18 910 a-Alanine, conf. II
147721.9001 3.0320 -5.1405 3 273.1371303 89503 303502228 502031 a-Alanine, conf. II
147750.8972106.3083 -5.4978 3 911.7066561 89503 303933261 933262 a-Alanine, conf. II
147760.8597 0.1540 -3.6571 3 84.4886159 89503 3032618 9 2518 8 a-Alanine, conf. II
147760.8599 0.1540 -3.6571 3 84.4886159 89503 3032618 8 2518 7 a-Alanine, conf. II
147808.2352 5.2101 -5.3120 3 244.8911249 89503 3034135 6 4134 7 a-Alanine, conf. II
147808.2352 5.2101 -5.3120 3 244.8911249 89503 3034135 7 4134 8 a-Alanine, conf. II
147837.9576104.8734 -5.4973 3 911.7062561 89503 303933361 933162 a-Alanine, conf. II
147873.1477 0.0795 -4.7553 3 32.4659111 89503 30318 810 17 611 a-Alanine, conf. II
147877.3089 6.6028 -5.4450 3 208.8682303 89503 30350 347 50 248 a-Alanine, conf. II
147877.3089 6.6028 -4.8274 3 208.8682303 89503 30350 347 50 348 a-Alanine, conf. II
147877.3089 6.6028 -4.8274 3 208.8682303 89503 30350 447 50 248 a-Alanine, conf. II
147877.3089 6.6028 -5.4450 3 208.8682303 89503 30350 447 50 348 a-Alanine, conf. II
147893.8480 4.9014 -5.1674 3 399.5984345 89503 303573621 573522 a-Alanine, conf. II
147893.8480 4.9014 -5.1674 3 399.5984345 89503 303573622 573523 a-Alanine, conf. II
147919.7197 0.0640 -4.5369 3 74.6306177 89503 30329 425 28 524 a-Alanine, conf. II
147919.7201 0.0640 -3.3470 3 74.6306177 89503 30329 525 28 524 a-Alanine, conf. II
147919.7210 0.0640 -3.3470 3 74.6306177 89503 30329 425 28 424 a-Alanine, conf. II
147919.7214 0.0640 -4.5369 3 74.6306177 89503 30329 525 28 424 a-Alanine, conf. II
147954.3325 1.8906 -5.2192 3 444.3034405 89503 303671651 671552 a-Alanine, conf. II
147954.3325 1.8906 -4.6912 3 444.3034405 89503 303671651 671652 a-Alanine, conf. II
147954.3325 1.8906 -4.6912 3 444.3034405 89503 303671751 671552 a-Alanine, conf. II
147954.3325 1.8906 -5.2192 3 444.3034405 89503 303671751 671652 a-Alanine, conf. II
147968.3290 5.2663 -5.3584 3 237.1701243 89503 3034035 5 4034 6 a-Alanine, conf. II
147968.3290 5.2663 -5.3584 3 237.1701243 89503 3034035 6 4034 7 a-Alanine, conf. II
147984.4869 0.0148 -3.4099 3 67.8938159 89503 30326 818 25 817 a-Alanine, conf. II
148010.5756 10.8142 -5.5314 3 702.4263477 89503 303793940 793841 a-Alanine, conf. II
148010.9854 10.8095 -5.5314 3 702.4263477 89503 303793941 793842 a-Alanine, conf. II
148061.7756 5.5067 -5.2684 3 510.7612399 89503 303663729 663630 a-Alanine, conf. II
148061.7757 5.5067 -5.2684 3 510.7612399 89503 303663730 663631 a-Alanine, conf. II
148091.4922 6.2501 -5.2134 3 271.9340333 89503 30355 748 55 649 a-Alanine, conf. II
148091.4922 6.2501 -4.6206 3 271.9340333 89503 30355 748 55 749 a-Alanine, conf. II
148091.4922 6.2501 -4.6206 3 271.9340333 89503 30355 848 55 649 a-Alanine, conf. II
148091.4922 6.2501 -5.2134 3 271.9340333 89503 30355 848 55 749 a-Alanine, conf. II
148095.0009 18.3243 -4.9062 3 591.4836459 89503 303762254 762255 a-Alanine, conf. II
148095.0029 18.3243 -5.3844 3 591.4836459 89503 303762254 762155 a-Alanine, conf. II
148095.0241 18.3242 -5.3844 3 591.4836459 89503 303762354 762255 a-Alanine, conf. II
148095.0261 18.3242 -4.9062 3 591.4836459 89503 303762354 762155 a-Alanine, conf. II
148097.9535 0.1272 -3.6088 3 82.0224159 89503 303261710 2517 9 a-Alanine, conf. II
148097.9588 0.1272 -3.6088 3 82.0224159 89503 3032617 9 2517 8 a-Alanine, conf. II
148116.6052 5.3220 -5.4174 3 229.6412237 89503 3033935 4 3934 5 a-Alanine, conf. II
148116.6052 5.3220 -5.4174 3 229.6412237 89503 3033935 5 3934 6 a-Alanine, conf. II
148121.0384 7.2528 -5.3948 3 609.4001441 89503 303733835 733736 a-Alanine, conf. II
148121.0528 7.2527 -5.3948 3 609.4001441 89503 303733836 733737 a-Alanine, conf. II
148152.9500 1.6339 -5.1196 3 253.7430291 89503 303482226 482029 a-Alanine, conf. II
148167.6369 3.3299 -5.1433 3 235.2700279 89503 303462225 462026 a-Alanine, conf. II
148229.5199 1.4031 -5.2726 3 162.1798237 89503 303391524 381721 a-Alanine, conf. II
148231.5812124.2929 -5.5748 3 952.5995573 89503 303953362 953363 a-Alanine, conf. II
148253.6996 5.3770 -5.4943 3 222.3042231 89503 3033835 3 3834 4 a-Alanine, conf. II
148253.6996 5.3770 -5.4943 3 222.3042231 89503 3033835 4 3834 5 a-Alanine, conf. II
148300.7078165.4538 -5.5882 3 727.6095495 89503 303823449 823250 a-Alanine, conf. II
148309.3210 5.7534 -5.2636 3 491.3305423 89503 303701852 701753 a-Alanine, conf. II
148309.3210 5.7534 -4.7513 3 491.3305423 89503 303701852 701853 a-Alanine, conf. II
148309.3212 5.7534 -4.7513 3 491.3305423 89503 303701952 701753 a-Alanine, conf. II
148309.3212 5.7534 -5.2636 3 491.3305423 89503 303701952 701853 a-Alanine, conf. II
148316.3189 4.9329 -5.1614 3 388.7715339 89503 303563620 563521 a-Alanine, conf. II
148316.3189 4.9329 -5.1614 3 388.7715339 89503 303563621 563522 a-Alanine, conf. II
148322.7541 0.2772 -4.6663 3 34.7148 99 89503 3031614 2 1513 3 a-Alanine, conf. II
148322.7541 0.2772 -4.6663 3 34.7148 99 89503 3031614 3 1513 2 a-Alanine, conf. II
148367.7291 11.1560 -4.8232 3 540.3960441 89503 303732053 732054 a-Alanine, conf. II
148367.7293 11.1560 -5.3189 3 540.3960441 89503 303732053 731954 a-Alanine, conf. II
148367.7315 11.1560 -5.3189 3 540.3960441 89503 303732153 732054 a-Alanine, conf. II
148367.7317 11.1560 -4.8232 3 540.3960441 89503 303732153 731954 a-Alanine, conf. II
148374.3469121.6779 -5.5740 3 952.5989573 89503 303953462 953263 a-Alanine, conf. II
148380.2217 5.4312 -5.5995 3 215.1587225 89503 3033735 2 3734 3 a-Alanine, conf. II
148380.2217 5.4312 -5.5995 3 215.1587225 89503 3033735 3 3734 4 a-Alanine, conf. II
148461.9372 0.0222 -4.7212 3 71.1811165 89503 30327 720 26 819 a-Alanine, conf. II
148489.2120 0.0218 -3.3911 3 71.1811165 89503 30327 820 26 819 a-Alanine, conf. II
148500.6526 1.1770 -5.5008 3 108.7169183 89503 303301912 301713 a-Alanine, conf. II
148501.9529 1.1770 -5.5008 3 108.7168183 89503 303301911 301714 a-Alanine, conf. II
148503.1827 56.5782 -5.2261 3 772.8163519 89503 303862858 862859 a-Alanine, conf. II
148508.1850 56.5231 -5.2260 3 772.8163519 89503 303862958 862759 a-Alanine, conf. II
148510.6972 0.1018 -3.5661 3 79.7142159 89503 303261611 251610 a-Alanine, conf. II
148510.8043 0.1018 -3.5661 3 79.7142159 89503 303261610 2516 9 a-Alanine, conf. II
148514.0213 6.7013 -5.5886 3 195.9740297 89503 30349 247 49 148 a-Alanine, conf. II
148514.0213 6.7013 -4.9649 3 195.9740297 89503 30349 247 49 248 a-Alanine, conf. II
148514.0213 6.7013 -4.9649 3 195.9740297 89503 30349 347 49 148 a-Alanine, conf. II
148514.0213 6.7013 -5.5886 3 195.9740297 89503 30349 347 49 248 a-Alanine, conf. II
148528.7856 0.0214 -3.3909 3 71.1789165 89503 30327 720 26 719 a-Alanine, conf. II
148534.9229 2.7338 -5.1781 3 383.1301381 89503 303631350 631251 a-Alanine, conf. II
148534.9229 2.7338 -4.6268 3 383.1301381 89503 303631350 631351 a-Alanine, conf. II
148534.9229 2.7338 -4.6268 3 383.1301381 89503 303631450 631251 a-Alanine, conf. II
148534.9229 2.7338 -5.1781 3 383.1301381 89503 303631450 631351 a-Alanine, conf. II
148555.5385 5.1179 -5.1706 3 325.6582357 89503 303591049 59 950 a-Alanine, conf. II
148555.5385 5.1179 -4.5978 3 325.6582357 89503 303591049 591050 a-Alanine, conf. II
148555.5385 5.1179 -4.5978 3 325.6582357 89503 303591149 59 950 a-Alanine, conf. II
148555.5385 5.1179 -5.1706 3 325.6582357 89503 303591149 591050 a-Alanine, conf. II
148556.0604 0.0211 -4.7206 3 71.1789165 89503 30327 820 26 719 a-Alanine, conf. II
148592.2388 1.8687 -5.1660 3 198.0806255 89503 303422122 421923 a-Alanine, conf. II
148633.7967 0.0210 -4.8373 3 67.8938159 89503 30326 918 25 817 a-Alanine, conf. II
148697.8734 0.0399 -3.4378 3 65.9746153 89503 303251114 241113 a-Alanine, conf. II
148709.0138 0.5526 -5.5138 3 140.5082219 89503 303361621 351718 a-Alanine, conf. II
148709.8903 5.4246 -5.2528 3 498.1595393 89503 303653728 653629 a-Alanine, conf. II
148709.8903 5.4246 -5.2528 3 498.1595393 89503 303653729 653630 a-Alanine, conf. II
148713.9451 4.9704 -5.1569 3 378.1419333 89503 303553619 553520 a-Alanine, conf. II
148713.9451 4.9704 -5.1569 3 378.1419333 89503 303553620 553521 a-Alanine, conf. II
148738.8852 33.6872 -5.0538 3 679.3996489 89503 303812556 812557 a-Alanine, conf. II
148738.9206 33.6869 -5.5058 3 679.3996489 89503 303812556 812457 a-Alanine, conf. II
148739.2430 33.6844 -5.5058 3 679.3996489 89503 303812656 812557 a-Alanine, conf. II
148739.2785 33.6841 -5.0538 3 679.3996489 89503 303812656 812457 a-Alanine, conf. II
148804.8757 1.3064 -5.2486 3 156.8698225 89503 303372018 371819 a-Alanine, conf. II
148898.8130 6.6597 -5.2449 3 257.8395327 89503 30354 648 54 549 a-Alanine, conf. II
148898.8130 6.6597 -4.6455 3 257.8395327 89503 30354 648 54 649 a-Alanine, conf. II
148898.8130 6.6597 -4.6455 3 257.8395327 89503 30354 748 54 549 a-Alanine, conf. II
148898.8130 6.6597 -5.2449 3 257.8395327 89503 30354 748 54 649 a-Alanine, conf. II
148967.6543 1.2904 -5.2478 3 156.8644225 89503 303372017 371820 a-Alanine, conf. II
148993.6961 6.8964 -5.3729 3 595.4056435 89503 303723834 723735 a-Alanine, conf. II
148993.7013 6.8964 -5.3729 3 595.4056435 89503 303723835 723736 a-Alanine, conf. II
149027.3393 0.0778 -3.5277 3 77.5683159 89503 303261512 251511 a-Alanine, conf. II
149029.0620 0.0779 -3.5277 3 77.5683159 89503 303261511 251510 a-Alanine, conf. II
149088.0339 5.0129 -5.1538 3 367.7092327 89503 303543618 543519 a-Alanine, conf. II
149088.0339 5.0129 -5.1538 3 367.7092327 89503 303543619 543520 a-Alanine, conf. II
149094.7956 0.4543 -3.2710 3 77.9383195 89503 30332 032 31 031 a-Alanine, conf. II
149094.7956 0.4543 -4.3711 3 77.9383195 89503 30332 032 31 131 a-Alanine, conf. II
149094.7956 0.4543 -4.3711 3 77.9383195 89503 30332 132 31 031 a-Alanine, conf. II
149094.7956 0.4543 -3.2710 3 77.9383195 89503 30332 132 31 131 a-Alanine, conf. II
149113.6210 6.7425 -5.2281 3 183.3185291 89503 30348 147 48 148 a-Alanine, conf. II
149113.6210 6.7425 -5.2281 3 183.3185291 89503 30348 247 48 048 a-Alanine, conf. II
149119.1059 9.9170 -5.5045 3 687.2301471 89503 303783939 783840 a-Alanine, conf. II
149119.2708 9.9152 -5.5045 3 687.2301471 89503 303783940 783841 a-Alanine, conf. II
149172.8925 0.7257 -5.5312 3 149.7080225 89503 303371721 361818 a-Alanine, conf. II
149211.1747 0.0716 -5.1613 3 24.4536 99 89503 30316 710 15 511 a-Alanine, conf. II
149292.1321 0.0191 -3.4067 3 64.1289153 89503 30325 916 24 915 a-Alanine, conf. II
149297.6267 0.9476 -5.2042 3 427.4066399 89503 303661551 661452 a-Alanine, conf. II
149297.6267 0.9476 -4.6674 3 427.4066399 89503 303661551 661552 a-Alanine, conf. II
149297.6267 0.9476 -4.6674 3 427.4066399 89503 303661651 661452 a-Alanine, conf. II
149297.6267 0.9476 -5.2042 3 427.4066399 89503 303661651 661552 a-Alanine, conf. II
149321.3106 5.3676 -5.2382 3 485.7587387 89503 303643727 643628 a-Alanine, conf. II
149321.3106 5.3676 -5.2382 3 485.7587387 89503 303643728 643629 a-Alanine, conf. II
149356.2435 0.1177 -3.3201 3 76.9784183 89503 30330 327 29 326 a-Alanine, conf. II
149356.2435 0.1177 -4.4806 3 76.9784183 89503 30330 327 29 426 a-Alanine, conf. II
149356.2435 0.1177 -4.4806 3 76.9784183 89503 30330 427 29 326 a-Alanine, conf. II
149356.2435 0.1177 -3.3201 3 76.9784183 89503 30330 427 29 426 a-Alanine, conf. II
149389.7226 0.8998 -5.5554 3 159.2518231 89503 303381821 371918 a-Alanine, conf. II
149430.8386 0.0922 -5.2463 3 23.5223 93 89503 30315 9 6 14 7 7 a-Alanine, conf. II
149439.8079 5.0596 -5.1524 3 357.4729321 89503 303533617 533518 a-Alanine, conf. II
149439.8079 5.0596 -5.1524 3 357.4729321 89503 303533618 533519 a-Alanine, conf. II
149453.5059 66.8988 -5.2913 3 810.6940531 89503 303882959 882960 a-Alanine, conf. II
149462.1669 66.7910 -5.2912 3 810.6940531 89503 303883059 882860 a-Alanine, conf. II
149512.1675 1.2085 -5.5611 3 102.9767177 89503 303291911 291712 a-Alanine, conf. II
149512.5559 1.2085 -5.5611 3 102.9767177 89503 303291910 291713 a-Alanine, conf. II
149513.9525 5.8602 -5.1786 3 310.6145351 89503 30358 949 58 850 a-Alanine, conf. II
149513.9525 5.8602 -4.5986 3 310.6145351 89503 30358 949 58 950 a-Alanine, conf. II
149513.9525 5.8602 -4.5986 3 310.6145351 89503 303581049 58 850 a-Alanine, conf. II
149513.9525 5.8602 -5.1786 3 310.6145351 89503 303581049 58 950 a-Alanine, conf. II
149548.4327 22.9014 -4.9546 3 624.9737471 89503 303782355 782356 a-Alanine, conf. II
149548.4367 22.9013 -5.4257 3 624.9737471 89503 303782355 782256 a-Alanine, conf. II
149548.4771 22.9011 -5.4257 3 624.9737471 89503 303782455 782356 a-Alanine, conf. II
149548.4810 22.9011 -4.9546 3 624.9737471 89503 303782455 782256 a-Alanine, conf. II
149606.4595 0.2074 -4.7103 3 35.9573105 89503 3031713 5 1612 4 a-Alanine, conf. II
149606.4755 0.2074 -4.7103 3 35.9573105 89503 3031713 4 1612 5 a-Alanine, conf. II
149645.9263 1.0821 -5.5820 3 169.1356237 89503 303391921 382018 a-Alanine, conf. II
149660.1456 6.9869 -5.2894 3 243.9783321 89503 30353 548 53 449 a-Alanine, conf. II
149660.1456 6.9869 -4.6835 3 243.9783321 89503 30353 548 53 549 a-Alanine, conf. II
149660.1456 6.9869 -4.6835 3 243.9783321 89503 30353 648 53 449 a-Alanine, conf. II
149660.1456 6.9869 -5.2894 3 243.9783321 89503 30353 648 53 549 a-Alanine, conf. II
149669.3985 3.8870 -5.1726 3 367.1517375 89503 303621250 621151 a-Alanine, conf. II
149669.3985 3.8870 -4.6134 3 367.1517375 89503 303621250 621251 a-Alanine, conf. II
149669.3985 3.8870 -4.6134 3 367.1517375 89503 303621350 621151 a-Alanine, conf. II
149669.3985 3.8870 -5.1726 3 367.1517375 89503 303621350 621251 a-Alanine, conf. II
149688.4372 0.0555 -3.4926 3 75.5911159 89503 303261413 251412 a-Alanine, conf. II
149710.0831 0.0558 -3.4925 3 75.5914159 89503 303261412 251411 a-Alanine, conf. II
149744.8040 0.0304 -4.6327 3 74.1876171 89503 30328 622 27 721 a-Alanine, conf. II
149745.5067 0.0304 -3.3665 3 74.1876171 89503 30328 722 27 721 a-Alanine, conf. II
149746.7018 0.0304 -3.3664 3 74.1875171 89503 30328 622 27 621 a-Alanine, conf. II
149747.4045 0.0304 -4.6327 3 74.1875171 89503 30328 722 27 621 a-Alanine, conf. II
149764.7360 1.1046 -5.5813 3 169.1354237 89503 303391920 382019 a-Alanine, conf. II
149770.4135 5.1097 -5.1528 3 347.4326315 89503 303523616 523517 a-Alanine, conf. II
149770.4135 5.1097 -5.1528 3 347.4326315 89503 303523617 523518 a-Alanine, conf. II
149794.2320 0.9572 -5.5528 3 159.2513231 89503 303381820 371919 a-Alanine, conf. II
149807.2664 3.4943 -5.2433 3 473.7444417 89503 303691752 691653 a-Alanine, conf. II
149807.2664 3.4943 -4.7217 3 473.7444417 89503 303691752 691753 a-Alanine, conf. II
149807.2665 3.4943 -4.7217 3 473.7444417 89503 303691852 691653 a-Alanine, conf. II
149807.2665 3.4943 -5.2433 3 473.7444417 89503 303691852 691753 a-Alanine, conf. II
149816.2572 6.6101 -5.3521 3 581.6152429 89503 303713833 713734 a-Alanine, conf. II
149816.2591 6.6100 -5.3521 3 581.6152429 89503 303713834 713735 a-Alanine, conf. II
149898.2187 5.3316 -5.2246 3 473.5582381 89503 303633726 633627 a-Alanine, conf. II
149898.2187 5.3316 -5.2246 3 473.5582381 89503 303633727 633628 a-Alanine, conf. II
149962.2631 40.6384 -5.1107 3 715.0935501 89503 303832657 832658 a-Alanine, conf. II
149962.3298 40.6379 -5.5552 3 715.0935501 89503 303832657 832558 a-Alanine, conf. II
149962.9108 40.6326 -5.5552 3 715.0935501 89503 303832757 832658 a-Alanine, conf. II
149962.9775 40.6320 -5.1107 3 715.0935501 89503 303832757 832558 a-Alanine, conf. II
149966.0158 14.5658 -4.8660 3 572.5441453 89503 303752154 752155 a-Alanine, conf. II
149966.0162 14.5658 -5.3550 3 572.5441453 89503 303752154 752055 a-Alanine, conf. II
149966.0207 14.5658 -5.3550 3 572.5441453 89503 303752254 752155 a-Alanine, conf. II
149966.0211 14.5658 -4.8660 3 572.5441453 89503 303752254 752055 a-Alanine, conf. II
149994.8320 0.1583 -5.5879 3 19.3163 81 89503 3031310 3 12 8 4 a-Alanine, conf. II
150006.0918140.2564 -5.5230 3 676.2786477 89503 303793347 793148 a-Alanine, conf. II
150008.5743 0.1583 -5.5878 3 19.3158 81 89503 3031310 4 12 8 5 a-Alanine, conf. II
150013.2707 1.6002 -5.1587 3 198.0340255 89503 303422121 421924 a-Alanine, conf. II
150039.8959 8.2078 -5.2939 3 522.1288435 89503 303721953 721854 a-Alanine, conf. II
150039.8959 8.2078 -4.7882 3 522.1288435 89503 303721953 721954 a-Alanine, conf. II
150039.8964 8.2078 -4.7882 3 522.1288435 89503 303722053 721854 a-Alanine, conf. II
150039.8964 8.2078 -5.2939 3 522.1288435 89503 303722053 721954 a-Alanine, conf. II
150049.1761 0.0188 -3.4073 3 69.3578159 89503 303261017 251016 a-Alanine, conf. II
150080.9286 5.1625 -5.1551 3 337.5879309 89503 303513615 513516 a-Alanine, conf. II
150080.9286 5.1625 -5.1551 3 337.5879309 89503 303513616 513517 a-Alanine, conf. II
150089.0840 1.8404 -5.1191 3 244.3336285 89503 303472225 472028 a-Alanine, conf. II
150161.1741 9.1757 -5.4787 3 672.2413465 89503 303773938 773839 a-Alanine, conf. II
150161.2390 9.1750 -5.4787 3 672.2413465 89503 303773939 773840 a-Alanine, conf. II
150171.5023 0.5375 -5.4555 3 116.6844201 89503 303331419 321518 a-Alanine, conf. II
150179.6644 0.2531 -5.3469 3 95.1226183 89503 303301218 291317 a-Alanine, conf. II
150216.2020 0.5228 -5.1447 3 152.9176231 89503 303381424 371621 a-Alanine, conf. II
150227.2869 0.0789 -5.1068 3 25.4248 99 89503 30316 8 9 15 610 a-Alanine, conf. II
150319.0645 78.7152 -5.3594 3 849.4328543 89503 303903060 903061 a-Alanine, conf. II
150333.9012 78.5072 -5.3593 3 849.4328543 89503 303903160 902961 a-Alanine, conf. II
150365.8254 0.0708 -5.3079 3 23.3566 99 89503 30316 511 15 312 a-Alanine, conf. II
150372.3689 5.2175 -5.1594 3 327.9384303 89503 303503614 503515 a-Alanine, conf. II
150372.3689 5.2175 -5.1594 3 327.9384303 89503 303503615 503516 a-Alanine, conf. II
150378.2207 7.2373 -5.3521 3 230.3517315 89503 30352 448 52 349 a-Alanine, conf. II
150378.2207 7.2373 -4.7400 3 230.3517315 89503 30352 448 52 449 a-Alanine, conf. II
150378.2207 7.2373 -4.7400 3 230.3517315 89503 30352 548 52 349 a-Alanine, conf. II
150378.2207 7.2373 -5.3521 3 230.3517315 89503 30352 548 52 449 a-Alanine, conf. II
150418.0945 6.4967 -5.1927 3 295.7993345 89503 30357 849 57 750 a-Alanine, conf. II
150418.0945 6.4967 -4.6057 3 295.7993345 89503 30357 849 57 850 a-Alanine, conf. II
150418.0945 6.4967 -4.6057 3 295.7993345 89503 30357 949 57 750 a-Alanine, conf. II
150418.0945 6.4967 -5.1927 3 295.7993345 89503 30357 949 57 850 a-Alanine, conf. II
150442.6122 5.3131 -5.2122 3 461.5574375 89503 303623725 623626 a-Alanine, conf. II
150442.6122 5.3131 -5.2122 3 461.5574375 89503 303623726 623627 a-Alanine, conf. II
150450.7301 0.8571 -5.5225 3 149.7059225 89503 303371720 361819 a-Alanine, conf. II
150467.0954 0.0745 -4.9549 3 42.0640123 89503 303201011 19 910 a-Alanine, conf. II
150514.0564 5.8228 -5.1689 3 283.1016309 89503 303512229 512032 a-Alanine, conf. II
150517.6220 0.0355 -3.4603 3 73.7914159 89503 303261314 251313 a-Alanine, conf. II
150561.7334 1.9804 -5.1919 3 410.7274393 89503 303651451 651352 a-Alanine, conf. II
150561.7334 1.9804 -4.6467 3 410.7274393 89503 303651451 651452 a-Alanine, conf. II
150561.7334 1.9804 -4.6467 3 410.7274393 89503 303651551 651352 a-Alanine, conf. II
150561.7334 1.9804 -5.1919 3 410.7274393 89503 303651551 651452 a-Alanine, conf. II
150592.1625 6.3822 -5.3322 3 568.0282423 89503 303703832 703733 a-Alanine, conf. II
150592.1631 6.3822 -5.3322 3 568.0282423 89503 303703833 703734 a-Alanine, conf. II
150645.6935 5.2742 -5.1660 3 318.4838297 89503 303493613 493514 a-Alanine, conf. II
150645.6935 5.2742 -5.1660 3 318.4838297 89503 303493614 493515 a-Alanine, conf. II
150722.9438 0.0373 -3.4591 3 73.7955159 89503 303261313 251312 a-Alanine, conf. II
150738.9453 4.9225 -5.1708 3 351.3968369 89503 303611150 611051 a-Alanine, conf. II
150738.9453 4.9225 -4.6039 3 351.3968369 89503 303611150 611151 a-Alanine, conf. II
150738.9453 4.9225 -4.6039 3 351.3968369 89503 303611250 611051 a-Alanine, conf. II
150738.9453 4.9225 -5.1708 3 351.3968369 89503 303611250 611151 a-Alanine, conf. II
150752.0816 1.2992 -5.2778 3 149.7080219 89503 303362017 361818 a-Alanine, conf. II
150802.7556 0.2077 -3.2935 3 79.1389189 89503 30331 229 30 228 a-Alanine, conf. II
150802.7556 0.2077 -4.4301 3 79.1389189 89503 30331 229 30 328 a-Alanine, conf. II
150802.7556 0.2077 -4.4301 3 79.1389189 89503 30331 329 30 228 a-Alanine, conf. II
150802.7556 0.2077 -3.2935 3 79.1389189 89503 30331 329 30 328 a-Alanine, conf. II
150807.7326 0.1524 -4.7632 3 37.5678111 89503 3031812 7 1711 6 a-Alanine, conf. II
150810.0042 0.1524 -4.7632 3 37.5677111 89503 3031812 6 1711 7 a-Alanine, conf. II
150816.4117 1.2933 -5.2775 3 149.7059219 89503 303362016 361819 a-Alanine, conf. II
150901.8102 5.3322 -5.1753 3 309.2238291 89503 303483612 483513 a-Alanine, conf. II
150901.8102 5.3322 -5.1753 3 309.2238291 89503 303483613 483514 a-Alanine, conf. II
150939.0643 28.2302 -5.0061 3 659.3380483 89503 303802456 802457 a-Alanine, conf. II
150939.0720 28.2301 -5.4701 3 659.3380483 89503 303802456 802357 a-Alanine, conf. II
150939.1478 28.2296 -5.4701 3 659.3380483 89503 303802556 802457 a-Alanine, conf. II
150939.1555 28.2295 -5.0061 3 659.3380483 89503 303802556 802357 a-Alanine, conf. II
150956.3264 5.3093 -5.2010 3 449.7558369 89503 303613724 613625 a-Alanine, conf. II
150956.3264 5.3093 -5.2010 3 449.7558369 89503 303613725 613626 a-Alanine, conf. II
151055.5355 7.4164 -5.4435 3 216.9613309 89503 30351 348 51 249 a-Alanine, conf. II
151055.5355 7.4164 -4.8253 3 216.9613309 89503 30351 348 51 349 a-Alanine, conf. II
151055.5355 7.4164 -4.8253 3 216.9613309 89503 30351 448 51 249 a-Alanine, conf. II
151055.5355 7.4164 -5.4435 3 216.9613309 89503 30351 448 51 349 a-Alanine, conf. II
151095.1029 92.2351 -5.4304 3 889.0304555 89503 303923161 923162 a-Alanine, conf. II
151107.4223 0.0464 -4.5615 3 76.9768177 89503 30329 524 28 623 a-Alanine, conf. II
151107.4342 0.0464 -3.3408 3 76.9768177 89503 30329 624 28 623 a-Alanine, conf. II
151107.4569 0.0464 -3.3408 3 76.9768177 89503 30329 524 28 523 a-Alanine, conf. II
151107.4688 0.0464 -4.5615 3 76.9768177 89503 30329 624 28 523 a-Alanine, conf. II
151114.6250 48.6344 -5.1705 3 751.6553513 89503 303852758 852759 a-Alanine, conf. II
151115.9071 48.6213 -5.1705 3 751.6553513 89503 303852858 852659 a-Alanine, conf. II
151120.2583 91.8398 -5.4303 3 889.0303555 89503 303923261 923062 a-Alanine, conf. II
151134.2493 0.0981 -5.2436 3 23.4640 93 89503 30315 9 7 14 7 8 a-Alanine, conf. II
151141.5795 5.3911 -5.1874 3 300.1578285 89503 303473611 473512 a-Alanine, conf. II
151141.5795 5.3911 -5.1874 3 300.1578285 89503 303473612 473513 a-Alanine, conf. II
151142.1180 8.5646 -5.4539 3 657.4588459 89503 303763937 763838 a-Alanine, conf. II
151142.1430 8.5643 -5.4539 3 657.4588459 89503 303763938 763839 a-Alanine, conf. II
151214.9436 1.6015 -5.2254 3 456.3719411 89503 303681652 681553 a-Alanine, conf. II
151214.9436 1.6015 -4.6949 3 456.3719411 89503 303681652 681653 a-Alanine, conf. II
151214.9436 1.6015 -4.6949 3 456.3719411 89503 303681752 681553 a-Alanine, conf. II
151214.9436 1.6015 -5.2254 3 456.3719411 89503 303681752 681653 a-Alanine, conf. II
151218.0349 5.1665 -5.1375 3 265.9088297 89503 303492327 492128 a-Alanine, conf. II
151271.4339 7.0337 -5.2142 3 281.2144339 89503 30356 749 56 650 a-Alanine, conf. II
151271.4339 7.0337 -4.6205 3 281.2144339 89503 30356 749 56 750 a-Alanine, conf. II
151271.4339 7.0337 -4.6205 3 281.2144339 89503 30356 849 56 650 a-Alanine, conf. II
151271.4339 7.0337 -5.2142 3 281.2144339 89503 30356 849 56 750 a-Alanine, conf. II
151324.4947 6.2032 -5.3134 3 554.6438417 89503 303693831 693732 a-Alanine, conf. II
151324.4949 6.2032 -5.3134 3 554.6438417 89503 303693832 693733 a-Alanine, conf. II
151337.8541 0.0217 -3.4317 3 72.1763159 89503 303261215 251214 a-Alanine, conf. II
151365.8190 5.4506 -5.2029 3 291.2857279 89503 303463610 463511 a-Alanine, conf. II
151365.8190 5.4506 -5.2029 3 291.2857279 89503 303463611 463512 a-Alanine, conf. II
151413.9130 0.0333 -3.3961 3 64.9546153 89503 303251015 241014 a-Alanine, conf. II
151441.0543 5.3179 -5.1909 3 438.1528363 89503 303603723 603624 a-Alanine, conf. II
151441.0543 5.3179 -5.1909 3 438.1528363 89503 303603724 603625 a-Alanine, conf. II
151453.4112 0.0192 -3.4119 3 70.7266159 89503 303261116 251115 a-Alanine, conf. II
151505.9720 18.5851 -4.9121 3 605.5703465 89503 303772255 772256 a-Alanine, conf. II
151505.9728 18.5851 -5.3942 3 605.5703465 89503 303772255 772156 a-Alanine, conf. II
151505.9816 18.5851 -5.3942 3 605.5703465 89503 303772355 772256 a-Alanine, conf. II
151505.9824 18.5851 -4.9121 3 605.5703465 89503 303772355 772156 a-Alanine, conf. II
151575.3066 5.5104 -5.2224 3 282.6071273 89503 3034536 9 453510 a-Alanine, conf. II
151575.3066 5.5104 -5.2224 3 282.6071273 89503 303453610 453511 a-Alanine, conf. II
151579.6918 0.0235 -4.7838 3 72.8517165 89503 30327 819 26 918 a-Alanine, conf. II
151608.0539 5.5512 -5.2711 3 504.0707429 89503 303711853 711754 a-Alanine, conf. II
151608.0539 5.5512 -4.7559 3 504.0707429 89503 303711853 711854 a-Alanine, conf. II
151608.0539 5.5512 -5.2711 3 504.0707429 89503 303711953 711854 a-Alanine, conf. II
151608.0540 5.5512 -4.7559 3 504.0707429 89503 303711953 711754 a-Alanine, conf. II
151609.5898 1.5475 -5.2530 3 168.3727243 89503 303401426 391623 a-Alanine, conf. II
151694.3835 7.5291 -5.5866 3 203.8083303 89503 30350 248 50 149 a-Alanine, conf. II
151694.3835 7.5291 -4.9625 3 203.8083303 89503 30350 248 50 249 a-Alanine, conf. II
151694.3835 7.5291 -4.9625 3 203.8083303 89503 30350 348 50 149 a-Alanine, conf. II
151694.3835 7.5291 -5.5866 3 203.8083303 89503 30350 348 50 249 a-Alanine, conf. II
151715.5918 11.1590 -4.8285 3 553.8089447 89503 303742054 742055 a-Alanine, conf. II
151715.5919 11.1590 -5.3277 3 553.8089447 89503 303742054 741955 a-Alanine, conf. II
151715.5928 11.1590 -5.3277 3 553.8089447 89503 303742154 742055 a-Alanine, conf. II
151715.5929 11.1590 -4.8285 3 553.8089447 89503 303742154 741955 a-Alanine, conf. II
151725.8949 0.1107 -4.8339 3 39.5728117 89503 3031911 9 1810 8 a-Alanine, conf. II
151748.1193 5.8360 -5.1733 3 335.8672363 89503 303601050 60 951 a-Alanine, conf. II
151748.1193 5.8360 -4.5991 3 335.8672363 89503 303601050 601051 a-Alanine, conf. II
151748.1193 5.8360 -4.5991 3 335.8672363 89503 303601150 60 951 a-Alanine, conf. II
151748.1193 5.8360 -5.1733 3 335.8672363 89503 303601150 601051 a-Alanine, conf. II
151748.4923115.5572 -5.4616 3 626.7991459 89503 303763245 763046 a-Alanine, conf. II
151752.8746 3.3115 -5.1827 3 394.2681387 89503 303641351 641252 a-Alanine, conf. II
151752.8746 3.3115 -4.6294 3 394.2681387 89503 303641351 641352 a-Alanine, conf. II
151752.8746 3.3115 -4.6294 3 394.2681387 89503 303641451 641252 a-Alanine, conf. II
151752.8746 3.3115 -5.1827 3 394.2681387 89503 303641451 641352 a-Alanine, conf. II
151770.7838 5.5704 -5.2465 3 274.1217267 89503 3034436 8 4435 9 a-Alanine, conf. II
151770.7838 5.5704 -5.2465 3 274.1217267 89503 3034436 9 443510 a-Alanine, conf. II
151775.8290107.7102 -5.5045 3 929.4843567 89503 303943262 943263 a-Alanine, conf. II
151803.5082 1.6835 -5.1776 3 189.8723249 89503 303412121 411922 a-Alanine, conf. II
151818.0548106.9695 -5.5042 3 929.4841567 89503 303943362 943163 a-Alanine, conf. II
151859.1292 0.1116 -4.8333 3 39.5692117 89503 3031911 8 1810 9 a-Alanine, conf. II
151872.4567 0.0189 -3.3805 3 72.8517165 89503 30327 919 26 918 a-Alanine, conf. II
151898.3623 5.3367 -5.1820 3 426.7482357 89503 303593722 593623 a-Alanine, conf. II
151898.3623 5.3367 -5.1820 3 426.7482357 89503 303593723 593624 a-Alanine, conf. II
151952.9583 5.6303 -5.2763 3 265.8291261 89503 3034336 7 4335 8 a-Alanine, conf. II
151952.9583 5.6303 -5.2763 3 265.8291261 89503 3034336 8 4335 9 a-Alanine, conf. II
151979.1553 12.0278 -5.5730 3 738.3006489 89503 303814041 813942 a-Alanine, conf. II
151979.4228 12.0243 -5.5730 3 738.3006489 89503 303814042 813943 a-Alanine, conf. II
152016.0315 6.0651 -5.2955 3 541.4614411 89503 303683830 683731 a-Alanine, conf. II
152016.0316 6.0651 -5.2955 3 541.4614411 89503 303683831 683732 a-Alanine, conf. II
152066.5961 8.0627 -5.4301 3 642.8818453 89503 303753936 753837 a-Alanine, conf. II
152066.6055 8.0626 -5.4301 3 642.8818453 89503 303753937 753838 a-Alanine, conf. II
152077.1058 7.4773 -5.2454 3 266.8613333 89503 30355 649 55 550 a-Alanine, conf. II
152077.1058 7.4773 -4.6451 3 266.8613333 89503 30355 649 55 650 a-Alanine, conf. II
152077.1058 7.4773 -4.6451 3 266.8613333 89503 30355 749 55 550 a-Alanine, conf. II
152077.1058 7.4773 -5.2454 3 266.8613333 89503 30355 749 55 650 a-Alanine, conf. II
152096.4824 0.4299 -4.5334 3 114.5506165 89503 3032726 1 2626 0 a-Alanine, conf. II
152096.4824 0.4299 -4.5334 3 114.5506165 89503 3032726 2 2626 1 a-Alanine, conf. II
152122.5064 5.6899 -5.3132 3 257.7292255 89503 3034236 6 4235 7 a-Alanine, conf. II
152122.5064 5.6899 -5.3132 3 257.7292255 89503 3034236 7 4235 8 a-Alanine, conf. II
152193.4773 57.8029 -5.2333 3 789.0828525 89503 303872859 872860 a-Alanine, conf. II
152195.7512 57.7763 -5.2332 3 789.0828525 89503 303872959 872760 a-Alanine, conf. II
152210.4477 0.3906 -4.2324 3 110.8868165 89503 3032725 2 2625 1 a-Alanine, conf. II
152210.4477 0.3906 -4.2324 3 110.8868165 89503 3032725 3 2625 2 a-Alanine, conf. II
152229.0016 0.0164 -3.3781 3 72.8300165 89503 30327 819 26 818 a-Alanine, conf. II
152250.2098 0.3455 -3.2673 3 81.1159195 89503 30332 131 31 130 a-Alanine, conf. II
152250.2098 0.3455 -4.3841 3 81.1159195 89503 30332 131 31 230 a-Alanine, conf. II
152250.2098 0.3455 -4.3841 3 81.1159195 89503 30332 231 31 130 a-Alanine, conf. II
152250.2098 0.3455 -3.2673 3 81.1159195 89503 30332 231 31 230 a-Alanine, conf. II
152265.3114 34.4019 -5.0606 3 694.5745495 89503 303822557 822558 a-Alanine, conf. II
152265.3263 34.4017 -5.5175 3 694.5745495 89503 303822557 822458 a-Alanine, conf. II
152265.4666 34.4006 -5.5175 3 694.5745495 89503 303822657 822558 a-Alanine, conf. II
152265.4815 34.4004 -5.0606 3 694.5745495 89503 303822657 822458 a-Alanine, conf. II
152280.0755 5.7491 -5.3594 3 249.8215249 89503 3034136 5 4135 6 a-Alanine, conf. II
152280.0755 5.7491 -5.3594 3 249.8215249 89503 3034136 6 4135 7 a-Alanine, conf. II
152296.8796 7.5806 -5.2254 3 190.8939297 89503 30349 148 49 149 a-Alanine, conf. II
152296.8796 7.5806 -5.2254 3 190.8939297 89503 30349 248 49 049 a-Alanine, conf. II
152329.7045 5.3641 -5.1744 3 415.5412351 89503 303583721 583622 a-Alanine, conf. II
152329.7045 5.3641 -5.1744 3 415.5412351 89503 303583722 583623 a-Alanine, conf. II
152339.5316 0.3526 -4.0567 3 107.3706165 89503 3032724 3 2624 2 a-Alanine, conf. II
152339.5316 0.3526 -4.0567 3 107.3706165 89503 3032724 4 2624 3 a-Alanine, conf. II
152354.0288125.4535 -5.5814 3 970.7920579 89503 303963363 963364 a-Alanine, conf. II
152368.0989 0.8104 -5.4868 3 140.5006219 89503 303361620 351719 a-Alanine, conf. II
152374.5515 0.1275 -5.3747 3 36.1300117 89503 30319 811 18 712 a-Alanine, conf. II
152413.7552 0.1035 -5.1147 3 27.3820105 89503 30317 611 16 412 a-Alanine, conf. II
152424.2183124.0847 -5.5810 3 970.7917579 89503 303963463 963264 a-Alanine, conf. II
152426.2860 5.8077 -5.4181 3 242.1058243 89503 3034036 4 4035 5 a-Alanine, conf. II
152426.2860 5.8077 -5.4181 3 242.1058243 89503 3034036 5 4035 6 a-Alanine, conf. II
152446.8877 1.3070 -5.3115 3 142.7584213 89503 303352016 351817 a-Alanine, conf. II
152450.2941 1.5727 -5.1743 3 189.8510249 89503 303412120 411923 a-Alanine, conf. II
152466.6749 2.3103 -5.3194 3 179.6793249 89503 303411625 401822 a-Alanine, conf. II
152471.0718 1.3049 -5.3114 3 142.7576213 89503 303352015 351818 a-Alanine, conf. II
152486.5598 0.3162 -3.9325 3 104.0025165 89503 3032723 4 2623 3 a-Alanine, conf. II
152486.5598 0.3162 -3.9325 3 104.0025165 89503 3032723 5 2623 4 a-Alanine, conf. II
152521.7665 0.0169 -4.7776 3 72.8300165 89503 30327 919 26 818 a-Alanine, conf. II
152521.8332 0.0815 -4.5007 3 79.5647183 89503 30330 426 29 525 a-Alanine, conf. II
152521.8334 0.0815 -3.3149 3 79.5647183 89503 30330 526 29 525 a-Alanine, conf. II
152521.8336 0.0815 -3.3149 3 79.5647183 89503 30330 426 29 425 a-Alanine, conf. II
152521.8338 0.0815 -4.5007 3 79.5647183 89503 30330 526 29 425 a-Alanine, conf. II
152531.5696 1.9543 -5.1227 3 235.1277279 89503 303462224 462027 a-Alanine, conf. II
152539.9989 1.1712 -5.2101 3 439.2153405 89503 303671552 671453 a-Alanine, conf. II
152539.9989 1.1712 -4.6710 3 439.2153405 89503 303671552 671553 a-Alanine, conf. II
152539.9989 1.1712 -4.6710 3 439.2153405 89503 303671652 671453 a-Alanine, conf. II
152539.9989 1.1712 -5.2101 3 439.2153405 89503 303671652 671553 a-Alanine, conf. II
152561.7327 5.8657 -5.4947 3 234.5819237 89503 3033936 3 3935 4 a-Alanine, conf. II
152561.7327 5.8657 -5.4947 3 234.5819237 89503 3033936 4 3935 5 a-Alanine, conf. II
152638.9024 0.3535 -4.6071 3 36.6484 99 89503 3031615 1 1514 2 a-Alanine, conf. II
152638.9024 0.3535 -4.6071 3 36.6484 99 89503 3031615 2 1514 1 a-Alanine, conf. II
152655.0902 0.2811 -3.8367 3 100.7833165 89503 3032722 5 2622 4 a-Alanine, conf. II
152655.0902 0.2811 -3.8367 3 100.7833165 89503 3032722 6 2622 5 a-Alanine, conf. II
152669.2881 5.9613 -5.2787 3 528.4803405 89503 303673829 673730 a-Alanine, conf. II
152669.2881 5.9613 -5.2787 3 528.4803405 89503 303673830 673731 a-Alanine, conf. II
152683.3543 0.0303 -3.4234 3 72.2127159 89503 303261214 251213 a-Alanine, conf. II
152700.9802 6.6314 -5.1809 3 320.5647357 89503 30359 950 59 851 a-Alanine, conf. II
152700.9802 6.6314 -4.5997 3 320.5647357 89503 30359 950 59 951 a-Alanine, conf. II
152700.9802 6.6314 -4.5997 3 320.5647357 89503 303591050 59 851 a-Alanine, conf. II
152700.9802 6.6314 -5.1809 3 320.5647357 89503 303591050 59 951 a-Alanine, conf. II
152734.6890 0.0869 -5.1346 3 26.4802 99 89503 30316 9 7 15 7 8 a-Alanine, conf. II
152736.4348 5.3987 -5.1682 3 404.5316345 89503 303573720 573621 a-Alanine, conf. II
152736.4348 5.3987 -5.1682 3 404.5316345 89503 303573721 573622 a-Alanine, conf. II
152756.0768 0.0503 -4.9012 3 74.3629165 89503 30327 918 261017 a-Alanine, conf. II
152760.0941 0.0595 -5.3036 3 23.3582 99 89503 30316 611 15 412 a-Alanine, conf. II
152837.9574 7.8335 -5.2894 3 252.7414327 89503 30354 549 54 450 a-Alanine, conf. II
152837.9574 7.8335 -4.6828 3 252.7414327 89503 30354 549 54 550 a-Alanine, conf. II
152837.9574 7.8335 -4.6828 3 252.7414327 89503 30354 649 54 450 a-Alanine, conf. II
152837.9574 7.8335 -5.2894 3 252.7414327 89503 30354 649 54 550 a-Alanine, conf. II
152849.6705 0.2475 -3.7590 3 97.7139165 89503 3032721 6 2621 5 a-Alanine, conf. II
152849.6705 0.2475 -3.7590 3 97.7139165 89503 3032721 7 2621 6 a-Alanine, conf. II
152876.5008 4.5468 -5.1768 3 378.0306381 89503 303631251 631152 a-Alanine, conf. II
152876.5008 4.5468 -4.6158 3 378.0306381 89503 303631251 631252 a-Alanine, conf. II
152876.5008 4.5468 -4.6158 3 378.0306381 89503 303631351 631152 a-Alanine, conf. II
152876.5008 4.5468 -5.1768 3 378.0306381 89503 303631351 631252 a-Alanine, conf. II
152938.7128 7.6527 -5.4072 3 628.5094447 89503 303743935 743836 a-Alanine, conf. II
152938.7162 7.6527 -5.4072 3 628.5094447 89503 303743936 743837 a-Alanine, conf. II
152980.9789 2.6075 -5.1402 3 226.2029273 89503 303452224 452025 a-Alanine, conf. II
152986.4175 23.2887 -4.9612 3 639.4727477 89503 303792356 792357 a-Alanine, conf. II
152986.4191 23.2887 -5.4365 3 639.4727477 89503 303792356 792257 a-Alanine, conf. II
152986.4361 23.2886 -5.4365 3 639.4727477 89503 303792456 792357 a-Alanine, conf. II
152986.4377 23.2886 -4.9612 3 639.4727477 89503 303792456 792257 a-Alanine, conf. II
153033.1114 0.3442 -5.4989 3 138.5020219 89503 303361522 351619 a-Alanine, conf. II
153040.6432 0.0270 -4.6722 3 76.1342171 89503 30328 721 27 820 a-Alanine, conf. II
153051.5000 0.0268 -3.3579 3 76.1342171 89503 30328 821 27 820 a-Alanine, conf. II
153067.9180 0.0266 -3.3578 3 76.1332171 89503 30328 721 27 720 a-Alanine, conf. II
153076.2196 0.2154 -3.6938 3 94.7954165 89503 3032720 7 2620 6 a-Alanine, conf. II
153076.2196 0.2154 -3.6938 3 94.7954165 89503 3032720 8 2620 7 a-Alanine, conf. II
153078.7747 0.0265 -4.6720 3 76.1332171 89503 30328 821 27 720 a-Alanine, conf. II
153079.1710 11.0327 -5.5453 3 722.7286483 89503 303804040 803941 a-Alanine, conf. II
153079.2784 11.0313 -5.5453 3 722.7286483 89503 303804041 803942 a-Alanine, conf. II
153081.7807 3.1914 -5.2506 3 486.2243423 89503 303701753 701654 a-Alanine, conf. II
153081.7807 3.1914 -4.7263 3 486.2243423 89503 303701753 701754 a-Alanine, conf. II
153081.7807 3.1914 -4.7263 3 486.2243423 89503 303701853 701654 a-Alanine, conf. II
153081.7807 3.1914 -5.2506 3 486.2243423 89503 303701853 701754 a-Alanine, conf. II
153097.8012 0.7687 -5.1525 3 160.5155237 89503 303391425 381622 a-Alanine, conf. II
153119.8177 5.4394 -5.1634 3 393.7188339 89503 303563719 563620 a-Alanine, conf. II
153119.8177 5.4394 -5.1634 3 393.7188339 89503 303563720 563621 a-Alanine, conf. II
153144.2015 2.7312 -5.1290 3 295.7048315 89503 303522329 522132 a-Alanine, conf. II
153144.2539 7.2500 -5.3559 3 228.3201279 89503 303461927 461730 a-Alanine, conf. II
153195.9915 68.2880 -5.2989 3 827.3739537 89503 303892960 892961 a-Alanine, conf. II
153199.9801 68.2353 -5.2989 3 827.3739537 89503 303893060 892861 a-Alanine, conf. II
153256.7970 0.0197 -3.3812 3 69.1088159 89503 30326 917 25 916 a-Alanine, conf. II
153257.5940 5.8782 -5.4213 3 208.4403267 89503 303441826 441629 a-Alanine, conf. II
153286.5522 5.8862 -5.2628 3 515.7001399 89503 303663828 663729 a-Alanine, conf. II
153286.5522 5.8862 -5.2628 3 515.7001399 89503 303663829 663730 a-Alanine, conf. II
153335.5095 14.6670 -4.8721 3 586.3688459 89503 303762155 762156 a-Alanine, conf. II
153335.5097 14.6670 -5.3647 3 586.3688459 89503 303762155 762056 a-Alanine, conf. II
153335.5115 14.6670 -5.3647 3 586.3688459 89503 303762255 762156 a-Alanine, conf. II
153335.5116 14.6670 -4.8721 3 586.3688459 89503 303762255 762056 a-Alanine, conf. II
153342.6125 0.1846 -3.6379 3 92.0292165 89503 3032719 8 2619 7 a-Alanine, conf. II
153342.6125 0.1846 -3.6379 3 92.0292165 89503 3032719 9 2619 8 a-Alanine, conf. II
153356.0002 8.0734 -5.3025 3 535.2806441 89503 303731954 731855 a-Alanine, conf. II
153356.0002 8.0734 -4.7936 3 535.2806441 89503 303731954 731955 a-Alanine, conf. II
153356.0003 8.0734 -5.3025 3 535.2806441 89503 303732054 731955 a-Alanine, conf. II
153356.0004 8.0734 -4.7936 3 535.2806441 89503 303732054 731855 a-Alanine, conf. II
153390.6941 0.1194 -4.9120 3 31.6068111 89503 30318 711 17 512 a-Alanine, conf. II
153411.2394 92.4753 -5.4037 3 579.1788441 89503 303733143 732944 a-Alanine, conf. II
153481.0366 5.4850 -5.1601 3 383.1025333 89503 303553718 553619 a-Alanine, conf. II
153481.0366 5.4850 -5.1601 3 383.1025333 89503 303553719 553620 a-Alanine, conf. II
153518.7017 1.8369 -5.1166 3 285.5112309 89503 303512328 512131 a-Alanine, conf. II
153521.3249 8.5003 -5.2991 3 249.0793291 89503 303482028 481831 a-Alanine, conf. II
153525.4251 41.5173 -5.1181 3 730.6810507 89503 303842658 842659 a-Alanine, conf. II
153525.4535 41.5171 -5.5677 3 730.6810507 89503 303842658 842559 a-Alanine, conf. II
153525.7099 41.5146 -5.5677 3 730.6810507 89503 303842758 842659 a-Alanine, conf. II
153525.7383 41.5144 -5.1181 3 730.6810507 89503 303842758 842559 a-Alanine, conf. II
153556.5868 8.1082 -5.3517 3 238.8562321 89503 30353 449 53 350 a-Alanine, conf. II
153556.5868 8.1082 -4.7390 3 238.8562321 89503 30353 449 53 450 a-Alanine, conf. II
153556.5868 8.1082 -4.7390 3 238.8562321 89503 30353 549 53 350 a-Alanine, conf. II
153556.5868 8.1082 -5.3517 3 238.8562321 89503 30353 549 53 450 a-Alanine, conf. II
153601.1672 7.3150 -5.1946 3 305.4909351 89503 30358 850 58 751 a-Alanine, conf. II
153601.1672 7.3150 -4.6065 3 305.4909351 89503 30358 850 58 851 a-Alanine, conf. II
153601.1672 7.3150 -4.6065 3 305.4909351 89503 30358 950 58 751 a-Alanine, conf. II
153601.1672 7.3150 -5.1946 3 305.4909351 89503 30358 950 58 851 a-Alanine, conf. II
153628.3507 0.0735 -4.9761 3 46.0221129 89503 303211012 20 911 a-Alanine, conf. II
153636.4719 8.0896 -5.1428 3 298.4448315 89503 303522429 522230 a-Alanine, conf. II
153659.6185 0.1552 -3.5891 3 89.4174165 89503 303271810 2618 9 a-Alanine, conf. II
153659.6194 0.1552 -3.5891 3 89.4174165 89503 3032718 9 2618 8 a-Alanine, conf. II
153676.1701 4.5164 -5.4936 3 189.4411255 89503 303421725 421528 a-Alanine, conf. II
153693.4416 0.5447 -3.2416 3 82.9116201 89503 30333 033 32 032 a-Alanine, conf. II
153693.4416 0.5447 -4.3415 3 82.9116201 89503 30333 033 32 132 a-Alanine, conf. II
153693.4416 0.5447 -4.3415 3 82.9116201 89503 30333 133 32 032 a-Alanine, conf. II
153693.4416 0.5447 -3.2416 3 82.9116201 89503 30333 133 32 132 a-Alanine, conf. II
153739.2590 0.0916 -4.9461 3 41.9818123 89503 303201010 19 911 a-Alanine, conf. II
153757.9734 4.2703 -5.4365 3 203.2753267 89503 303441529 431726 a-Alanine, conf. II
153762.1117 7.3199 -5.3853 3 614.3409441 89503 303733934 733835 a-Alanine, conf. II
153762.1129 7.3199 -5.3853 3 614.3409441 89503 303733935 733836 a-Alanine, conf. II
153789.0520 2.5227 -5.1975 3 422.2767399 89503 303661452 661353 a-Alanine, conf. II
153789.0520 2.5227 -4.6503 3 422.2767399 89503 303661452 661453 a-Alanine, conf. II
153789.0520 2.5227 -4.6503 3 422.2767399 89503 303661552 661353 a-Alanine, conf. II
153789.0520 2.5227 -5.1975 3 422.2767399 89503 303661552 661453 a-Alanine, conf. II
153821.2026 5.5347 -5.1584 3 372.6822327 89503 303543717 543618 a-Alanine, conf. II
153821.2026 5.5347 -5.1584 3 372.6822327 89503 303543718 543619 a-Alanine, conf. II
153869.9136 5.8350 -5.2481 3 503.1200393 89503 303653827 653728 a-Alanine, conf. II
153869.9136 5.8350 -5.2481 3 503.1200393 89503 303653828 653729 a-Alanine, conf. II
153937.4223 5.6527 -5.1746 3 362.0169375 89503 303621151 621052 a-Alanine, conf. II
153937.4223 5.6527 -4.6062 3 362.0169375 89503 303621151 621152 a-Alanine, conf. II
153937.4223 5.6527 -4.6062 3 362.0169375 89503 303621251 621052 a-Alanine, conf. II
153937.4223 5.6527 -5.1746 3 362.0169375 89503 303621251 621152 a-Alanine, conf. II
153938.8354 1.3247 -5.3498 3 136.0181207 89503 303342015 341816 a-Alanine, conf. II
153941.9852 0.2699 -4.6469 3 37.7341105 89503 3031714 4 1613 3 a-Alanine, conf. II
153941.9855 0.2699 -4.6469 3 37.7341105 89503 3031714 3 1613 4 a-Alanine, conf. II
153947.4761 1.3240 -5.3497 3 136.0178207 89503 303342014 341817 a-Alanine, conf. II
153959.2007 0.1474 -3.2892 3 81.9603189 89503 30331 328 30 327 a-Alanine, conf. II
153959.2007 0.1474 -4.4470 3 81.9603189 89503 30331 328 30 427 a-Alanine, conf. II
153959.2007 0.1474 -4.4470 3 81.9603189 89503 30331 428 30 327 a-Alanine, conf. II
153959.2007 0.1474 -3.2892 3 81.9603189 89503 30331 428 30 427 a-Alanine, conf. II
154042.4892 0.1272 -3.5458 3 86.9624165 89503 303271711 261710 a-Alanine, conf. II
154042.5106 0.1272 -3.5458 3 86.9624165 89503 303271710 2617 9 a-Alanine, conf. II
154115.1559 10.2044 -5.5186 3 707.3634477 89503 303794039 793940 a-Alanine, conf. II
154115.1981 10.2039 -5.5186 3 707.3634477 89503 303794040 793941 a-Alanine, conf. II
154118.9248 80.2545 -5.3674 3 866.5262549 89503 303913061 913062 a-Alanine, conf. II
154125.8467 80.1515 -5.3674 3 866.5262549 89503 303913161 912962 a-Alanine, conf. II
154141.3609 5.5877 -5.1585 3 362.4577321 89503 303533716 533617 a-Alanine, conf. II
154141.3609 5.5877 -5.1585 3 362.4577321 89503 303533717 533618 a-Alanine, conf. II
154195.9750 3.2712 -5.5711 3 171.3240243 89503 303401624 401427 a-Alanine, conf. II
154235.3747 8.3070 -5.4426 3 225.2070315 89503 30352 349 52 250 a-Alanine, conf. II
154235.3747 8.3070 -4.8240 3 225.2070315 89503 30352 349 52 350 a-Alanine, conf. II
154235.3747 8.3070 -4.8240 3 225.2070315 89503 30352 449 52 250 a-Alanine, conf. II
154235.3747 8.3070 -5.4426 3 225.2070315 89503 30352 449 52 350 a-Alanine, conf. II
154331.3952 0.0381 -4.5909 3 79.1825177 89503 30329 623 28 722 a-Alanine, conf. II
154331.6512 0.0381 -3.3341 3 79.1825177 89503 30329 723 28 722 a-Alanine, conf. II
154332.0979 0.0381 -3.3341 3 79.1825177 89503 30329 623 28 622 a-Alanine, conf. II
154332.3538 0.0381 -4.5909 3 79.1825177 89503 30329 723 28 622 a-Alanine, conf. II
154406.0596 28.7590 -5.0134 3 674.2491489 89503 303812457 812458 a-Alanine, conf. II
154406.0628 28.7590 -5.4818 3 674.2491489 89503 303812457 812358 a-Alanine, conf. II
154406.0951 28.7587 -5.4818 3 674.2491489 89503 303812557 812458 a-Alanine, conf. II
154406.0983 28.7587 -5.0134 3 674.2491489 89503 303812557 812358 a-Alanine, conf. II
154421.2890 5.8041 -5.2344 3 490.7395387 89503 303643826 643727 a-Alanine, conf. II
154421.2890 5.8041 -5.2344 3 490.7395387 89503 303643827 643728 a-Alanine, conf. II
154437.5735 1.5906 -5.1949 3 181.8916243 89503 303402120 401921 a-Alanine, conf. II
154442.4973 5.6435 -5.1604 3 352.4284315 89503 303523715 523616 a-Alanine, conf. II
154442.4973 5.6435 -5.1604 3 352.4284315 89503 303523716 523617 a-Alanine, conf. II
154451.9606 7.8933 -5.2157 3 290.6473345 89503 30357 750 57 651 a-Alanine, conf. II
154451.9606 7.8933 -4.6210 3 290.6473345 89503 30357 750 57 751 a-Alanine, conf. II
154451.9606 7.8933 -4.6210 3 290.6473345 89503 30357 850 57 651 a-Alanine, conf. II
154451.9606 7.8933 -5.2157 3 290.6473345 89503 30357 850 57 751 a-Alanine, conf. II
154469.2543 1.3227 -5.2324 3 468.5919417 89503 303691653 691554 a-Alanine, conf. II
154469.2543 1.3227 -4.6995 3 468.5919417 89503 303691653 691654 a-Alanine, conf. II
154469.2543 1.3227 -4.6995 3 468.5919417 89503 303691753 691554 a-Alanine, conf. II
154469.2543 1.3227 -5.2324 3 468.5919417 89503 303691753 691654 a-Alanine, conf. II
154513.7535 0.1007 -3.5070 3 84.6680165 89503 303271612 261611 a-Alanine, conf. II
154514.1339 0.1007 -3.5070 3 84.6680165 89503 303271611 261610 a-Alanine, conf. II
154537.8113 9.4930 -5.2523 3 270.7166303 89503 303502129 501932 a-Alanine, conf. II
154540.0491 7.0521 -5.3644 3 600.3755435 89503 303723933 723834 a-Alanine, conf. II
154540.0496 7.0521 -5.3644 3 600.3755435 89503 303723934 723835 a-Alanine, conf. II
154666.8019 5.5435 -5.1518 3 306.0788321 89503 303532330 532133 a-Alanine, conf. II
154717.4683 49.6887 -5.1785 3 767.6555519 89503 303862759 862760 a-Alanine, conf. II
154717.5731 1.5469 -5.1935 3 181.8824243 89503 303402119 401922 a-Alanine, conf. II
154718.0376 49.6825 -5.1785 3 767.6555519 89503 303862859 862660 a-Alanine, conf. II
154725.5432 5.7015 -5.1645 3 342.5940309 89503 303513714 513615 a-Alanine, conf. II
154725.5432 5.7015 -5.1645 3 342.5940309 89503 303513715 513616 a-Alanine, conf. II
154848.7994 0.1114 -5.1470 3 40.8569123 89503 30320 911 19 812 a-Alanine, conf. II
154873.1405 71.8111 -5.3497 3 533.4249423 89503 303703041 702842 a-Alanine, conf. II
154876.5122 8.4351 -4.9609 3 211.7952309 89503 30351 249 51 250 a-Alanine, conf. II
154876.5122 8.4351 -4.9609 3 211.7952309 89503 30351 349 51 150 a-Alanine, conf. II
154897.5465 5.2917 -5.2794 3 516.9620435 89503 303721854 721755 a-Alanine, conf. II
154897.5465 5.2917 -4.7614 3 516.9620435 89503 303721854 721855 a-Alanine, conf. II
154897.5465 5.2917 -4.7614 3 516.9620435 89503 303721954 721755 a-Alanine, conf. II
154897.5465 5.2917 -5.2794 3 516.9620435 89503 303721954 721855 a-Alanine, conf. II
154898.6672 18.7996 -4.9189 3 619.8069471 89503 303782256 782257 a-Alanine, conf. II
154898.6675 18.7996 -5.4049 3 619.8069471 89503 303782256 782157 a-Alanine, conf. II
154898.6711 18.7996 -5.4049 3 619.8069471 89503 303782356 782257 a-Alanine, conf. II
154898.6714 18.7996 -4.9189 3 619.8069471 89503 303782356 782157 a-Alanine, conf. II
154939.9136 6.6286 -5.1768 3 346.2285369 89503 303611051 61 952 a-Alanine, conf. II
154939.9136 6.6286 -4.6012 3 346.2285369 89503 303611051 611052 a-Alanine, conf. II
154939.9136 6.6286 -4.6012 3 346.2285369 89503 303611151 61 952 a-Alanine, conf. II
154939.9136 6.6286 -5.1768 3 346.2285369 89503 303611151 611052 a-Alanine, conf. II
154942.4426 5.7901 -5.2217 3 478.5582381 89503 303633825 633726 a-Alanine, conf. II
154942.4426 5.7901 -5.2217 3 478.5582381 89503 303633826 633727 a-Alanine, conf. II
154958.5067 93.8925 -5.4388 3 906.5373561 89503 303933162 933163 a-Alanine, conf. II
154967.8824 3.9625 -5.1879 3 405.5582393 89503 303651352 651253 a-Alanine, conf. II
154967.8824 3.9625 -4.6329 3 405.5582393 89503 303651352 651353 a-Alanine, conf. II
154967.8824 3.9625 -4.6329 3 405.5582393 89503 303651452 651253 a-Alanine, conf. II
154967.8824 3.9625 -5.1879 3 405.5582393 89503 303651452 651353 a-Alanine, conf. II
154970.3962 93.6941 -5.4387 3 906.5373561 89503 303933262 933063 a-Alanine, conf. II
154990.8501 0.0176 -3.3709 3 74.3629165 89503 303271018 261017 a-Alanine, conf. II
154991.3807 5.7612 -5.1708 3 332.9543303 89503 303503713 503614 a-Alanine, conf. II
154991.3807 5.7612 -5.1708 3 332.9543303 89503 303503714 503615 a-Alanine, conf. II
155005.2580 0.1606 -5.1727 3 87.9262177 89503 303291118 281217 a-Alanine, conf. II
155050.3473 11.1080 -5.3372 3 567.3722453 89503 303752055 751956 a-Alanine, conf. II
155050.3473 11.1080 -4.8348 3 567.3722453 89503 303752055 752056 a-Alanine, conf. II
155050.3477 11.1080 -4.8348 3 567.3722453 89503 303752155 751956 a-Alanine, conf. II
155050.3477 11.1080 -5.3372 3 567.3722453 89503 303752155 752056 a-Alanine, conf. II
155092.0813 9.5165 -5.4928 3 692.2042471 89503 303784038 783939 a-Alanine, conf. II
155092.0975 9.5163 -5.4928 3 692.2042471 89503 303784039 783940 a-Alanine, conf. II
155107.4051 0.0755 -3.4716 3 82.5393165 89503 303271513 261512 a-Alanine, conf. II
155112.7766 0.0757 -3.4716 3 82.5394165 89503 303271512 261511 a-Alanine, conf. II
155135.5956 2.0725 -5.1109 3 275.5083303 89503 303502327 502130 a-Alanine, conf. II
155162.0509 1.9673 -5.1296 3 226.1315273 89503 303452223 452026 a-Alanine, conf. II
155174.4776 0.1514 -5.4395 3 21.7963 87 89503 3031410 4 13 8 5 a-Alanine, conf. II
155200.5051 0.2020 -4.6927 3 39.1793111 89503 3031813 6 1712 5 a-Alanine, conf. II
155200.5948 0.2020 -4.6927 3 39.1793111 89503 3031813 5 1712 6 a-Alanine, conf. II
155228.2776 0.1516 -5.4393 3 21.7944 87 89503 3031410 5 13 8 6 a-Alanine, conf. II
155230.0290 0.0842 -5.0194 3 29.6737105 89503 30317 9 8 16 7 9 a-Alanine, conf. II
155240.8464 5.8222 -5.1797 3 323.5088297 89503 303493712 493613 a-Alanine, conf. II
155240.8464 5.8222 -5.1797 3 323.5088297 89503 303493713 493614 a-Alanine, conf. II
155256.3327 8.3728 -5.2465 3 276.0356339 89503 30356 650 56 551 a-Alanine, conf. II
155256.3327 8.3728 -4.6454 3 276.0356339 89503 30356 650 56 651 a-Alanine, conf. II
155256.3327 8.3728 -4.6454 3 276.0356339 89503 30356 750 56 551 a-Alanine, conf. II
155256.3327 8.3728 -5.2465 3 276.0356339 89503 30356 750 56 651 a-Alanine, conf. II
155260.8111 1.3494 -5.3928 3 129.4848201 89503 303332014 331815 a-Alanine, conf. II
155263.7404 1.3492 -5.3928 3 129.4847201 89503 303332013 331816 a-Alanine, conf. II
155275.4515 6.8389 -5.3445 3 586.6125429 89503 303713932 713833 a-Alanine, conf. II
155275.4516 6.8389 -5.3445 3 586.6125429 89503 303713933 713834 a-Alanine, conf. II
155391.1954 12.5229 -5.1584 3 332.8779333 89503 303552531 552332 a-Alanine, conf. II
155404.6880 0.2553 -3.2636 3 84.1691195 89503 30332 230 31 229 a-Alanine, conf. II
155404.6880 0.2553 -4.3987 3 84.1691195 89503 30332 230 31 329 a-Alanine, conf. II
155404.6880 0.2553 -4.3987 3 84.1691195 89503 30332 330 31 229 a-Alanine, conf. II
155404.6880 0.2553 -3.2636 3 84.1691195 89503 30332 330 31 329 a-Alanine, conf. II
155435.0038 5.7903 -5.2102 3 466.5756375 89503 303623824 623725 a-Alanine, conf. II
155435.0038 5.7903 -5.2102 3 466.5756375 89503 303623825 623726 a-Alanine, conf. II
155474.7358 5.8841 -5.1916 3 314.2573291 89503 303483711 483612 a-Alanine, conf. II
155474.7358 5.8841 -5.1916 3 314.2573291 89503 303483712 483613 a-Alanine, conf. II
155482.0231 8.4977 -5.2234 3 198.6219303 89503 30350 149 50 150 a-Alanine, conf. II
155482.0231 8.4977 -5.2234 3 198.6219303 89503 30350 249 50 050 a-Alanine, conf. II
155554.8250 0.0791 -5.0005 3 50.2231135 89503 303221013 21 912 a-Alanine, conf. II
155688.7463 0.5394 -5.4723 3 147.5039225 89503 303371622 361719 a-Alanine, conf. II
155693.8060 5.9466 -5.2068 3 305.1994285 89503 303473710 473611 a-Alanine, conf. II
155693.8060 5.9466 -5.2068 3 305.1994285 89503 303473711 473612 a-Alanine, conf. II
155705.3340 0.0589 -4.5240 3 82.0172183 89503 30330 525 29 624 a-Alanine, conf. II
155705.3380 0.0589 -3.3094 3 82.0172183 89503 30330 625 29 624 a-Alanine, conf. II
155705.3459 0.0589 -3.3094 3 82.0172183 89503 30330 525 29 524 a-Alanine, conf. II
155705.3499 0.0589 -4.5240 3 82.0172183 89503 30330 625 29 524 a-Alanine, conf. II
155710.2797109.4254 -5.5131 3 947.4049573 89503 303953263 953264 a-Alanine, conf. II
155730.4992109.0489 -5.5130 3 947.4049573 89503 303953363 953164 a-Alanine, conf. II
155733.5029 3.5668 -5.3766 3 198.0806261 89503 303431726 421923 a-Alanine, conf. II
155763.4812 35.0871 -5.0686 3 709.8978501 89503 303832558 832559 a-Alanine, conf. II
155763.4875 35.0871 -5.5301 3 709.8978501 89503 303832558 832459 a-Alanine, conf. II
155763.5480 35.0866 -5.5301 3 709.8978501 89503 303832658 832559 a-Alanine, conf. II
155763.5542 35.0865 -5.0686 3 709.8978501 89503 303832658 832459 a-Alanine, conf. II
155777.5275 1.5745 -5.2168 3 451.1757411 89503 303681553 681454 a-Alanine, conf. II
155777.5275 1.5745 -4.6755 3 451.1757411 89503 303681553 681554 a-Alanine, conf. II
155777.5275 1.5745 -4.6755 3 451.1757411 89503 303681653 681454 a-Alanine, conf. II
155777.5275 1.5745 -5.2168 3 451.1757411 89503 303681653 681554 a-Alanine, conf. II
155839.2859 59.0407 -5.2418 3 805.4957531 89503 303882860 882861 a-Alanine, conf. II
155840.3085 59.0281 -5.2418 3 805.4957531 89503 303882960 882761 a-Alanine, conf. II
155865.6989 0.0519 -3.4390 3 80.5841165 89503 303271414 261413 a-Alanine, conf. II
155887.7962 7.4797 -5.1840 3 330.6673363 89503 30360 951 60 852 a-Alanine, conf. II
155887.7962 7.4797 -4.6015 3 330.6673363 89503 30360 951 60 952 a-Alanine, conf. II
155887.7962 7.4797 -4.6015 3 330.6673363 89503 303601051 60 852 a-Alanine, conf. II
155887.7962 7.4797 -5.1840 3 330.6673363 89503 303601051 60 952 a-Alanine, conf. II
155898.7790 6.0095 -5.2259 3 296.3347279 89503 3034637 9 463610 a-Alanine, conf. II
155898.7790 6.0095 -5.2259 3 296.3347279 89503 303463710 463611 a-Alanine, conf. II
155900.4826 5.8025 -5.1999 3 454.7911369 89503 303613823 613724 a-Alanine, conf. II
155900.4826 5.8025 -5.1999 3 454.7911369 89503 303613824 613725 a-Alanine, conf. II
155924.6906 0.0528 -3.4387 3 80.5852165 89503 303271413 261412 a-Alanine, conf. II
155970.9626 6.6717 -5.3255 3 573.0514423 89503 303703931 703832 a-Alanine, conf. II
155970.9626 6.6717 -5.3255 3 573.0514423 89503 303703932 703833 a-Alanine, conf. II
156014.2818 54.0475 -5.2999 3 489.5448405 89503 303672939 672740 a-Alanine, conf. II
156014.3103 8.9472 -5.4681 3 677.2501465 89503 303774037 773938 a-Alanine, conf. II
156014.3164 8.9472 -5.4681 3 677.2501465 89503 303774038 773939 a-Alanine, conf. II
156016.9894 8.7597 -5.2900 3 261.6571333 89503 30355 550 55 451 a-Alanine, conf. II
156016.9894 8.7597 -4.6828 3 261.6571333 89503 30355 550 55 551 a-Alanine, conf. II
156016.9894 8.7597 -4.6828 3 261.6571333 89503 30355 650 55 451 a-Alanine, conf. II
156016.9894 8.7597 -5.2900 3 261.6571333 89503 30355 650 55 551 a-Alanine, conf. II
156029.7735 0.0933 -5.0072 3 81.0165171 89503 303281018 271117 a-Alanine, conf. II
156081.5757 5.2813 -5.1817 3 389.0618387 89503 303641252 641153 a-Alanine, conf. II
156081.5757 5.2813 -4.6191 3 389.0618387 89503 303641252 641253 a-Alanine, conf. II
156081.5757 5.2813 -4.6191 3 389.0618387 89503 303641352 641153 a-Alanine, conf. II
156081.5757 5.2813 -5.1817 3 389.0618387 89503 303641352 641253 a-Alanine, conf. II
156090.3442 6.0725 -5.2498 3 287.6631273 89503 3034537 8 4536 9 a-Alanine, conf. II
156090.3442 6.0725 -5.2498 3 287.6631273 89503 3034537 9 453610 a-Alanine, conf. II
156175.2700 0.0368 -3.3778 3 70.9346159 89503 303261115 251114 a-Alanine, conf. II
156269.1608 6.1355 -5.2793 3 279.1842267 89503 3034437 7 4436 8 a-Alanine, conf. II
156269.1608 6.1355 -5.2793 3 279.1842267 89503 3034437 8 4436 9 a-Alanine, conf. II
156294.2138 10.1086 -5.2160 3 293.2314315 89503 303522230 522033 a-Alanine, conf. II
156315.0276 0.0245 -4.7256 3 77.9176171 89503 30328 820 27 919 a-Alanine, conf. II
156316.2252 0.1080 -4.7234 3 35.9985117 89503 30319 811 18 612 a-Alanine, conf. II
156338.4414 0.1489 -4.7493 3 41.0005117 89503 3031912 8 1811 7 a-Alanine, conf. II
156340.2827 5.8248 -5.1908 3 443.2044363 89503 303603822 603723 a-Alanine, conf. II
156340.2827 5.8248 -5.1908 3 443.2044363 89503 303603823 603724 a-Alanine, conf. II
156347.3797 0.1490 -4.7492 3 41.0003117 89503 3031912 7 1811 8 a-Alanine, conf. II
156348.9915 2.8371 -5.2586 3 498.8555429 89503 303711754 711655 a-Alanine, conf. II
156348.9915 2.8371 -4.7317 3 498.8555429 89503 303711754 711755 a-Alanine, conf. II
156348.9915 2.8371 -4.7317 3 498.8555429 89503 303711854 711655 a-Alanine, conf. II
156348.9915 2.8371 -5.2586 3 498.8555429 89503 303711854 711755 a-Alanine, conf. II
156386.8712 0.0879 -5.0141 3 54.6572141 89503 303231014 22 913 a-Alanine, conf. II
156403.9936 23.6320 -4.9689 3 654.1210483 89503 303802357 802358 a-Alanine, conf. II
156403.9942 23.6320 -5.4481 3 654.1210483 89503 303802357 802258 a-Alanine, conf. II
156404.0013 23.6320 -5.4481 3 654.1210483 89503 303802457 802358 a-Alanine, conf. II
156404.0019 23.6320 -4.9689 3 654.1210483 89503 303802457 802258 a-Alanine, conf. II
156435.0089 0.0984 -5.1358 3 26.3521 99 89503 30316 9 8 15 7 9 a-Alanine, conf. II
156435.8602 6.1981 -5.3159 3 270.8977261 89503 3034337 6 4336 7 a-Alanine, conf. II
156435.8602 6.1981 -5.3159 3 270.8977261 89503 3034337 7 4336 8 a-Alanine, conf. II
156436.3421 1.3790 -5.4410 3 123.1566195 89503 303322013 321814 a-Alanine, conf. II
156437.2821 1.3789 -5.4410 3 123.1566195 89503 303322012 321815 a-Alanine, conf. II
156442.3243 0.0227 -3.3481 3 77.9176171 89503 30328 920 27 919 a-Alanine, conf. II
156458.9721 0.7817 -5.4360 3 131.6357213 89503 303351520 341619 a-Alanine, conf. II
156472.9839 18.9276 -5.1830 3 369.2073351 89503 303582633 582434 a-Alanine, conf. II
156583.7699 0.0921 -5.0050 3 59.3021147 89503 303241015 23 914 a-Alanine, conf. II
156591.0473 6.2604 -5.3618 3 262.8034255 89503 3034237 5 4236 6 a-Alanine, conf. II
156591.0473 6.2604 -5.3618 3 262.8034255 89503 3034237 6 4236 7 a-Alanine, conf. II
156607.7924 0.0213 -3.3470 3 77.9078171 89503 30328 820 27 819 a-Alanine, conf. II
156614.5582 0.7579 -5.4799 3 156.8698231 89503 303381722 371819 a-Alanine, conf. II
156628.9820 6.5431 -5.3075 3 559.6914417 89503 303693930 693831 a-Alanine, conf. II
156628.9821 6.5431 -5.3075 3 559.6914417 89503 303693931 693832 a-Alanine, conf. II
156661.5961 7.8800 -5.3118 3 548.5832447 89503 303741955 741856 a-Alanine, conf. II
156661.5961 7.8800 -4.8000 3 548.5832447 89503 303741955 741956 a-Alanine, conf. II
156661.5961 7.8800 -4.8000 3 548.5832447 89503 303742055 741856 a-Alanine, conf. II
156661.5961 7.8800 -5.3118 3 548.5832447 89503 303742055 741956 a-Alanine, conf. II
156668.3939 1.5475 -5.2168 3 174.1310237 89503 303392119 391920 a-Alanine, conf. II
156690.2695 14.7149 -4.8792 3 600.3437465 89503 303772156 772157 a-Alanine, conf. II
156690.2696 14.7149 -5.3752 3 600.3437465 89503 303772156 772057 a-Alanine, conf. II
156690.2703 14.7149 -5.3752 3 600.3437465 89503 303772256 772157 a-Alanine, conf. II
156690.2704 14.7149 -4.8792 3 600.3437465 89503 303772256 772057 a-Alanine, conf. II
156694.1550 0.4221 -5.3486 3 108.6665195 89503 303321319 311418 a-Alanine, conf. II
156722.5412 39.3787 -5.2549 3 447.5448387 89503 303642837 642638 a-Alanine, conf. II
156735.0891 0.0207 -4.7230 3 77.9078171 89503 30328 920 27 819 a-Alanine, conf. II
156735.3030 6.3221 -5.4202 3 254.9010249 89503 3034137 4 4136 5 a-Alanine, conf. II
156735.3030 6.3221 -5.4202 3 254.9010249 89503 3034137 5 4136 6 a-Alanine, conf. II
156736.4054 9.0601 -5.3519 3 247.5132327 89503 30354 450 54 351 a-Alanine, conf. II
156736.4054 9.0601 -4.7386 3 247.5132327 89503 30354 450 54 451 a-Alanine, conf. II
156736.4054 9.0601 -4.7386 3 247.5132327 89503 30354 550 54 351 a-Alanine, conf. II
156736.4054 9.0601 -5.3519 3 247.5132327 89503 30354 550 54 451 a-Alanine, conf. II
156743.0822 2.2046 -5.1448 3 217.3827267 89503 303442223 442024 a-Alanine, conf. II
156755.7123 5.8555 -5.1830 3 431.8149357 89503 303593821 593722 a-Alanine, conf. II
156755.7123 5.8555 -5.1830 3 431.8149357 89503 303593822 593723 a-Alanine, conf. II
156757.8526 0.0866 -4.9699 3 64.1289153 89503 303251016 24 915 a-Alanine, conf. II
156766.2900 0.0307 -3.4089 3 78.8121165 89503 303271315 261314 a-Alanine, conf. II
156783.9491 1.5309 -5.2162 3 174.1272237 89503 303392118 391921 a-Alanine, conf. II
156784.5068 8.2126 -5.1972 3 315.3349357 89503 30359 851 59 752 a-Alanine, conf. II
156784.5068 8.2126 -4.6081 3 315.3349357 89503 30359 851 59 852 a-Alanine, conf. II
156784.5068 8.2126 -4.6081 3 315.3349357 89503 30359 951 59 752 a-Alanine, conf. II
156784.5068 8.2126 -5.1972 3 315.3349357 89503 30359 951 59 852 a-Alanine, conf. II
156850.2033 0.4174 -3.2385 3 86.1944201 89503 30333 132 32 131 a-Alanine, conf. II
156850.2033 0.4174 -4.3544 3 86.1944201 89503 30333 132 32 231 a-Alanine, conf. II
156850.2033 0.4174 -4.3544 3 86.1944201 89503 30333 232 32 131 a-Alanine, conf. II
156850.2033 0.4174 -3.2385 3 86.1944201 89503 30333 232 32 231 a-Alanine, conf. II
156869.1850 6.3831 -5.4965 3 247.1902243 89503 3034037 3 4036 4 a-Alanine, conf. II
156869.1850 6.3831 -5.4965 3 247.1902243 89503 3034037 4 4036 5 a-Alanine, conf. II
156881.1295 0.9650 -5.5011 3 166.5856237 89503 303391822 381919 a-Alanine, conf. II
156885.7039 8.4783 -5.4442 3 662.5004459 89503 303764036 763937 a-Alanine, conf. II
156885.7061 8.4782 -5.4442 3 662.5004459 89503 303764037 763938 a-Alanine, conf. II
156888.4657 69.7132 -5.3080 3 844.1995543 89503 303902961 902962 a-Alanine, conf. II
156890.2825 69.6878 -5.3080 3 844.1995543 89503 303903061 902862 a-Alanine, conf. II
156900.6310 27.7535 -5.2156 3 407.4307369 89503 303612735 612536 a-Alanine, conf. II
156904.0153 3.8324 -5.1269 3 256.2164291 89503 303482326 482127 a-Alanine, conf. II
156951.4657 0.4430 -4.5516 3 38.7305 99 89503 3031616 0 1515 1 a-Alanine, conf. II
156951.4657 0.4430 -4.5516 3 38.7305 99 89503 3031616 1 1515 0 a-Alanine, conf. II
156977.4231 0.1082 -4.8289 3 43.2341123 89503 303201110 1910 9 a-Alanine, conf. II
157012.7377 3.1470 -5.2038 3 433.9779405 89503 303671453 671354 a-Alanine, conf. II
157012.7377 3.1470 -4.6547 3 433.9779405 89503 303671453 671454 a-Alanine, conf. II
157012.7377 3.1470 -4.6547 3 433.9779405 89503 303671553 671354 a-Alanine, conf. II
157012.7377 3.1470 -5.2038 3 433.9779405 89503 303671553 671454 a-Alanine, conf. II
157014.1764 0.0181 -3.3564 3 74.2209165 89503 30327 918 26 917 a-Alanine, conf. II
157025.1839 1.1660 -5.5270 3 176.6446243 89503 303401922 392019 a-Alanine, conf. II
157029.7683 0.0170 -3.3698 3 75.7785165 89503 303271117 261116 a-Alanine, conf. II
157057.1267 42.3735 -5.1268 3 746.4164513 89503 303852659 852660 a-Alanine, conf. II
157057.2626 42.3722 -5.1268 3 746.4164513 89503 303852759 852560 a-Alanine, conf. II
157123.6409 0.1029 -4.4664 3 84.6523189 89503 30331 427 30 526 a-Alanine, conf. II
157123.6410 0.1029 -3.2846 3 84.6523189 89503 30331 527 30 526 a-Alanine, conf. II
157123.6411 0.1029 -3.2846 3 84.6523189 89503 30331 427 30 426 a-Alanine, conf. II
157123.6411 0.1029 -4.4664 3 84.6523189 89503 30331 527 30 426 a-Alanine, conf. II
157134.6378 6.4602 -5.1791 3 372.7892381 89503 303631152 631053 a-Alanine, conf. II
157134.6378 6.4602 -4.6093 3 372.7892381 89503 303631152 631153 a-Alanine, conf. II
157134.6378 6.4602 -4.6093 3 372.7892381 89503 303631252 631053 a-Alanine, conf. II
157134.6378 6.4602 -5.1791 3 372.7892381 89503 303631252 631153 a-Alanine, conf. II
157147.9945 5.8933 -5.1765 3 420.6224351 89503 303583820 583721 a-Alanine, conf. II
157147.9945 5.8933 -5.1765 3 420.6224351 89503 303583821 583722 a-Alanine, conf. II
157195.5399 0.3472 -5.5173 3 145.5831225 89503 303371523 361620 a-Alanine, conf. II
157246.5132 0.0348 -3.4061 3 78.8231165 89503 303271314 261313 a-Alanine, conf. II
157251.6975 6.4471 -5.2905 3 546.5321411 89503 303683929 683830 a-Alanine, conf. II
157251.6975 6.4471 -5.2905 3 546.5321411 89503 303683930 683831 a-Alanine, conf. II
157255.3287 1.3746 -5.5547 3 187.0432249 89503 303412022 402119 a-Alanine, conf. II
157314.1210 1.2259 -5.5253 3 176.6442243 89503 303401921 392020 a-Alanine, conf. II
157332.0611 0.0225 -3.3531 3 70.0053159 89503 303261016 251015 a-Alanine, conf. II
157339.2009 1.3971 -5.5542 3 187.0431249 89503 303412021 402120 a-Alanine, conf. II
157367.9149 0.1107 -4.8274 3 43.2238123 89503 3032011 9 191010 a-Alanine, conf. II
157383.4029 0.0847 -4.8910 3 33.0946111 89503 30318 9 9 17 710 a-Alanine, conf. II
157416.8533 9.2798 -5.4424 3 233.6053321 89503 30353 350 53 251 a-Alanine, conf. II
157416.8533 9.2798 -4.8233 3 233.6053321 89503 30353 350 53 351 a-Alanine, conf. II
157416.8533 9.2798 -4.8233 3 233.6053321 89503 30353 450 53 251 a-Alanine, conf. II
157416.8533 9.2798 -5.4424 3 233.6053321 89503 30353 450 53 351 a-Alanine, conf. II
157443.9745 0.0175 -3.3836 3 77.2244165 89503 303271216 261215 a-Alanine, conf. II
157475.3562 2.3329 -5.1097 3 265.7055297 89503 303492326 492129 a-Alanine, conf. II
157483.4447 1.4120 -5.4948 3 117.0320189 89503 303312012 311813 a-Alanine, conf. II
157483.7294 1.4120 -5.4948 3 117.0320189 89503 303312011 311814 a-Alanine, conf. II
157514.8966 0.0711 -4.9153 3 69.1088159 89503 303261017 25 916 a-Alanine, conf. II
157518.2753 5.9370 -5.1714 3 409.6263345 89503 303573819 573720 a-Alanine, conf. II
157518.2753 5.9370 -5.1714 3 409.6263345 89503 303573820 573721 a-Alanine, conf. II
157613.6191 0.0340 -4.6271 3 81.2394177 89503 30329 722 28 821 a-Alanine, conf. II
157617.8477 0.0339 -3.3264 3 81.2394177 89503 30329 822 28 821 a-Alanine, conf. II
157624.4758 0.0339 -3.3263 3 81.2390177 89503 30329 722 28 721 a-Alanine, conf. II
157628.7044 0.0338 -4.6270 3 81.2390177 89503 30329 822 28 721 a-Alanine, conf. II
157633.1516 8.8342 -5.2180 3 300.2328351 89503 30358 751 58 652 a-Alanine, conf. II
157633.1516 8.8342 -4.6223 3 300.2328351 89503 30358 751 58 752 a-Alanine, conf. II
157633.1516 8.8342 -4.6223 3 300.2328351 89503 30358 851 58 652 a-Alanine, conf. II
157633.1516 8.8342 -5.2180 3 300.2328351 89503 30358 851 58 752 a-Alanine, conf. II
157701.2378 0.0398 -5.5075 3 22.1216 99 89503 30316 412 15 213 a-Alanine, conf. II
157709.7024 8.0942 -5.4213 3 647.9542453 89503 303754035 753936 a-Alanine, conf. II
157709.7032 8.0942 -5.4213 3 647.9542453 89503 303754036 753937 a-Alanine, conf. II
157717.1126 0.4845 -4.5203 3 123.4315171 89503 3032827 1 2727 0 a-Alanine, conf. II
157717.1126 0.4845 -4.5203 3 123.4315171 89503 3032827 2 2727 1 a-Alanine, conf. II
157717.8614 1.1400 -5.2401 3 480.9634423 89503 303701654 701555 a-Alanine, conf. II
157717.8614 1.1400 -4.7049 3 480.9634423 89503 303701654 701655 a-Alanine, conf. II
157717.8614 1.1400 -4.7049 3 480.9634423 89503 303701754 701555 a-Alanine, conf. II
157717.8614 1.1400 -5.2401 3 480.9634423 89503 303701754 701655 a-Alanine, conf. II
157773.8384 1.9290 -5.1398 3 217.3488267 89503 303442222 442025 a-Alanine, conf. II
157788.0228 0.0885 -5.0388 3 28.4538105 89503 30317 810 16 611 a-Alanine, conf. II
157790.7420 0.9154 -5.1339 3 169.8840243 89503 303401525 391722 a-Alanine, conf. II
157810.3612 1.1098 -5.4951 3 166.5841237 89503 303391821 381920 a-Alanine, conf. II
157830.1469 0.4421 -4.2187 3 119.6240171 89503 3032826 2 2726 1 a-Alanine, conf. II
157830.1469 0.4421 -4.2187 3 119.6240171 89503 3032826 3 2726 2 a-Alanine, conf. II
157841.1111 6.3784 -5.2745 3 533.5728405 89503 303673928 673829 a-Alanine, conf. II
157841.1111 6.3784 -5.2745 3 533.5728405 89503 303673929 673830 a-Alanine, conf. II
157850.3201 29.2471 -5.0218 3 689.3092495 89503 303822458 822459 a-Alanine, conf. II
157850.3214 29.2470 -5.4943 3 689.3092495 89503 303822458 822359 a-Alanine, conf. II
157850.3350 29.2469 -5.4943 3 689.3092495 89503 303822558 822459 a-Alanine, conf. II
157850.3363 29.2469 -5.0218 3 689.3092495 89503 303822558 822359 a-Alanine, conf. II
157862.2868 81.8635 -5.3770 3 883.7646555 89503 303923062 923063 a-Alanine, conf. II
157865.4800 81.8132 -5.3770 3 883.7646555 89503 303923162 922963 a-Alanine, conf. II
157867.6314 5.9857 -5.1678 3 398.8263339 89503 303563818 563719 a-Alanine, conf. II
157867.6314 5.9857 -5.1678 3 398.8263339 89503 303563819 563720 a-Alanine, conf. II
157957.5761 0.4012 -4.0424 3 115.9640171 89503 3032825 3 2725 2 a-Alanine, conf. II
157957.5761 0.4012 -4.0424 3 115.9640171 89503 3032825 4 2725 3 a-Alanine, conf. II
157979.4632 0.0381 -5.5065 3 22.1217 99 89503 30316 512 15 313 a-Alanine, conf. II
158060.4284 9.4244 -4.9599 3 219.9347315 89503 30352 250 52 251 a-Alanine, conf. II
158060.4284 9.4244 -4.9599 3 219.9347315 89503 30352 350 52 151 a-Alanine, conf. II
158101.9715 0.3619 -3.9176 3 112.4521171 89503 3032824 4 2724 3 a-Alanine, conf. II
158101.9715 0.3619 -3.9176 3 112.4521171 89503 3032824 5 2724 4 a-Alanine, conf. II
158131.0869 7.5011 -5.1809 3 356.7422375 89503 303621052 62 953 a-Alanine, conf. II
158131.0869 7.5011 -4.6040 3 356.7422375 89503 303621052 621053 a-Alanine, conf. II
158131.0869 7.5011 -4.6040 3 356.7422375 89503 303621152 62 953 a-Alanine, conf. II
158131.0869 7.5011 -5.1809 3 356.7422375 89503 303621152 621053 a-Alanine, conf. II
158178.6574 4.9711 -5.2884 3 530.0043441 89503 303731855 731756 a-Alanine, conf. II
158178.6574 4.9711 -4.7677 3 530.0043441 89503 303731855 731856 a-Alanine, conf. II
158178.6574 4.9711 -4.7677 3 530.0043441 89503 303731955 731756 a-Alanine, conf. II
158178.6574 4.9711 -5.2884 3 530.0043441 89503 303731955 731856 a-Alanine, conf. II
158180.2679 4.6914 -5.1939 3 417.0004399 89503 303661353 661254 a-Alanine, conf. II
158180.2679 4.6914 -4.6371 3 417.0004399 89503 303661353 661354 a-Alanine, conf. II
158180.2679 4.6914 -4.6371 3 417.0004399 89503 303661453 661254 a-Alanine, conf. II
158180.2679 4.6914 -5.1939 3 417.0004399 89503 303661453 661354 a-Alanine, conf. II
158194.3534 5.1751 -5.4384 3 217.3827273 89503 303451827 442024 a-Alanine, conf. II
158197.0766 6.0385 -5.1658 3 388.2221333 89503 303553817 553718 a-Alanine, conf. II
158197.0766 6.0385 -5.1658 3 388.2221333 89503 303553818 553719 a-Alanine, conf. II
158264.0446 0.3446 -4.5883 3 39.6623105 89503 3031715 2 1614 3 a-Alanine, conf. II
158264.0446 0.3446 -4.5883 3 39.6623105 89503 3031715 3 1614 2 a-Alanine, conf. II
158266.5383 0.3240 -3.8212 3 109.0889171 89503 3032823 5 2723 4 a-Alanine, conf. II
158266.5383 0.3240 -3.8212 3 109.0889171 89503 3032823 6 2723 5 a-Alanine, conf. II
158274.8686 18.9621 -4.9268 3 634.1932477 89503 303792257 792258 a-Alanine, conf. II
158274.8688 18.9621 -5.4163 3 634.1932477 89503 303792257 792158 a-Alanine, conf. II
158274.8702 18.9621 -5.4163 3 634.1932477 89503 303792357 792258 a-Alanine, conf. II
158274.8704 18.9621 -4.9268 3 634.1932477 89503 303792357 792158 a-Alanine, conf. II
158285.2843 50.7292 -5.1878 3 783.8030525 89503 303872760 872761 a-Alanine, conf. II
158285.5346 50.7263 -5.1878 3 783.8030525 89503 303872860 872661 a-Alanine, conf. II
158291.0118 0.6485 -3.2138 3 88.0382207 89503 30334 034 33 033 a-Alanine, conf. II
158291.0118 0.6485 -4.3135 3 88.0382207 89503 30334 034 33 133 a-Alanine, conf. II
158291.0118 0.6485 -4.3135 3 88.0382207 89503 30334 134 33 033 a-Alanine, conf. II
158291.0118 0.6485 -3.2138 3 88.0382207 89503 30334 134 33 133 a-Alanine, conf. II
158373.2285 10.9978 -5.3475 3 581.0861459 89503 303762056 761957 a-Alanine, conf. II
158373.2285 10.9978 -4.8420 3 581.0861459 89503 303762056 762057 a-Alanine, conf. II
158373.2287 10.9978 -4.8420 3 581.0861459 89503 303762156 761957 a-Alanine, conf. II
158373.2287 10.9978 -5.3475 3 581.0861459 89503 303762156 762057 a-Alanine, conf. II
158399.0626 6.3328 -5.2595 3 520.8131399 89503 303663927 663828 a-Alanine, conf. II
158399.0626 6.3328 -5.2595 3 520.8131399 89503 303663928 663829 a-Alanine, conf. II
158436.5527 9.3514 -5.2483 3 285.3625345 89503 30357 651 57 552 a-Alanine, conf. II
158436.5527 9.3514 -4.6464 3 285.3625345 89503 30357 651 57 652 a-Alanine, conf. II
158436.5527 9.3514 -4.6464 3 285.3625345 89503 30357 751 57 552 a-Alanine, conf. II
158436.5527 9.3514 -5.2483 3 285.3625345 89503 30357 751 57 652 a-Alanine, conf. II
158455.3281 0.2876 -3.7429 3 105.8754171 89503 3032822 6 2722 5 a-Alanine, conf. II
158455.3281 0.2876 -3.7429 3 105.8754171 89503 3032822 7 2722 6 a-Alanine, conf. II
158489.3904 7.7819 -5.3994 3 633.6109447 89503 303744034 743935 a-Alanine, conf. II
158489.3907 7.7819 -5.3994 3 633.6109447 89503 303744035 743936 a-Alanine, conf. II
158507.5677 6.0946 -5.1656 3 377.8132327 89503 303543816 543717 a-Alanine, conf. II
158507.5677 6.0946 -5.1656 3 377.8132327 89503 303543817 543718 a-Alanine, conf. II
158561.4277 0.1831 -3.2598 3 87.0959195 89503 30332 329 31 328 a-Alanine, conf. II
158561.4277 0.1831 -4.4152 3 87.0959195 89503 30332 329 31 428 a-Alanine, conf. II
158561.4277 0.1831 -4.4152 3 87.0959195 89503 30332 429 31 328 a-Alanine, conf. II
158561.4277 0.1831 -3.2598 3 87.0959195 89503 30332 429 31 428 a-Alanine, conf. II
158601.7287 1.5330 -5.2429 3 166.5856231 89503 303382118 381919 a-Alanine, conf. II
158647.2295 1.5269 -5.2427 3 166.5841231 89503 303382117 381920 a-Alanine, conf. II
158655.7857 0.0357 -4.8133 3 79.5329171 89503 30328 919 271018 a-Alanine, conf. II
158669.0694 9.4992 -5.2221 3 206.5025309 89503 30351 150 51 151 a-Alanine, conf. II
158669.0694 9.4992 -5.2221 3 206.5025309 89503 30351 250 51 051 a-Alanine, conf. II
158673.5452 0.2527 -3.6772 3 102.8124171 89503 3032821 7 2721 6 a-Alanine, conf. II
158673.5452 0.2527 -3.6772 3 102.8124171 89503 3032821 8 2721 7 a-Alanine, conf. II
158757.6486 95.6704 -5.4488 3 924.1885567 89503 303943163 943164 a-Alanine, conf. II
158763.2033 95.5723 -5.4488 3 924.1885567 89503 303943263 943064 a-Alanine, conf. II
158800.0093 6.1534 -5.1673 3 367.5993321 89503 303533815 533716 a-Alanine, conf. II
158800.0093 6.1534 -5.1673 3 367.5993321 89503 303533816 533717 a-Alanine, conf. II
158839.2365 10.2585 -5.1901 3 316.6229327 89503 303542331 542134 a-Alanine, conf. II
158920.3123 0.0480 -4.5517 3 84.3305183 89503 30330 624 29 723 a-Alanine, conf. II
158920.4042 0.0480 -3.3033 3 84.3305183 89503 30330 724 29 723 a-Alanine, conf. II
158920.5683 0.0480 -3.3033 3 84.3305183 89503 30330 624 29 623 a-Alanine, conf. II
158920.6601 0.0480 -4.5517 3 84.3305183 89503 30330 724 29 623 a-Alanine, conf. II
158927.2480 6.3067 -5.2456 3 508.2525393 89503 303653926 653827 a-Alanine, conf. II
158927.2480 6.3067 -5.2456 3 508.2525393 89503 303653927 653828 a-Alanine, conf. II
158928.0071 0.2193 -3.6207 3 99.9015171 89503 3032820 9 2720 8 a-Alanine, conf. II
158928.0072 0.2193 -3.6207 3 99.9015171 89503 3032820 8 2720 7 a-Alanine, conf. II
158931.5828 0.0814 -5.1247 3 27.3913105 89503 30317 711 16 512 a-Alanine, conf. II
159010.6823 2.1137 -5.2241 3 463.2878417 89503 303691554 691455 a-Alanine, conf. II
159010.6823 2.1137 -4.6808 3 463.2878417 89503 303691554 691555 a-Alanine, conf. II
159010.6823 2.1137 -4.6808 3 463.2878417 89503 303691654 691455 a-Alanine, conf. II
159010.6823 2.1137 -5.2241 3 463.2878417 89503 303691654 691555 a-Alanine, conf. II
159044.3434 10.5545 -5.5345 3 727.8347483 89503 303804139 804040 a-Alanine, conf. II
159044.3540 10.5543 -5.5345 3 727.8347483 89503 303804140 804041 a-Alanine, conf. II
159070.9941 2.4153 -5.1236 3 319.1547327 89503 303542430 542233 a-Alanine, conf. II
159074.5273 8.4103 -5.1877 3 340.9224369 89503 30361 952 61 853 a-Alanine, conf. II
159074.5273 8.4103 -4.6041 3 340.9224369 89503 30361 952 61 953 a-Alanine, conf. II
159074.5273 8.4103 -4.6041 3 340.9224369 89503 303611052 61 853 a-Alanine, conf. II
159074.5273 8.4103 -5.1877 3 340.9224369 89503 303611052 61 953 a-Alanine, conf. II
159075.2588 6.2144 -5.1710 3 357.5800315 89503 303523814 523715 a-Alanine, conf. II
159075.2588 6.2144 -5.1710 3 357.5800315 89503 303523815 523716 a-Alanine, conf. II
159197.2851 9.7707 -5.2914 3 270.7254339 89503 30356 551 56 452 a-Alanine, conf. II
159197.2851 9.7707 -4.6834 3 270.7254339 89503 30356 551 56 552 a-Alanine, conf. II
159197.2851 9.7707 -4.6834 3 270.7254339 89503 30356 651 56 452 a-Alanine, conf. II
159197.2851 9.7707 -5.2914 3 270.7254339 89503 30356 651 56 552 a-Alanine, conf. II
159227.5480 7.5304 -5.3784 3 619.4698441 89503 303734033 733934 a-Alanine, conf. II
159227.5481 7.5304 -5.3784 3 619.4698441 89503 303734034 733935 a-Alanine, conf. II
159227.8616 0.1873 -3.5713 3 97.1442171 89503 303281910 2719 9 a-Alanine, conf. II
159227.8618 0.1873 -3.5713 3 97.1442171 89503 3032819 9 2719 8 a-Alanine, conf. II
159236.3712 35.7359 -5.0777 3 725.3695507 89503 303842559 842560 a-Alanine, conf. II
159236.3738 35.7359 -5.5435 3 725.3695507 89503 303842559 842460 a-Alanine, conf. II
159236.3996 35.7356 -5.5435 3 725.3695507 89503 303842659 842560 a-Alanine, conf. II
159236.4022 35.7356 -5.0777 3 725.3695507 89503 303842659 842460 a-Alanine, conf. II
159248.9497 0.0507 -4.8527 3 74.2209165 89503 303271018 26 917 a-Alanine, conf. II
159284.8743 6.0957 -5.1873 3 400.2451393 89503 303651253 651154 a-Alanine, conf. II
159284.8743 6.0957 -4.6231 3 400.2451393 89503 303651253 651254 a-Alanine, conf. II
159284.8743 6.0957 -4.6231 3 400.2451393 89503 303651353 651154 a-Alanine, conf. II
159284.8743 6.0957 -5.1873 3 400.2451393 89503 303651353 651254 a-Alanine, conf. II
159334.1297 6.2772 -5.1770 3 347.7551309 89503 303513813 513714 a-Alanine, conf. II
159334.1297 6.2772 -5.1770 3 347.7551309 89503 303513814 513715 a-Alanine, conf. II
159352.1856 1.0659 -5.4614 3 156.8644231 89503 303381721 371820 a-Alanine, conf. II
159427.2363 6.2969 -5.2327 3 495.8905387 89503 303643925 643826 a-Alanine, conf. II
159427.2363 6.2969 -5.2327 3 495.8905387 89503 303643926 643827 a-Alanine, conf. II
159446.0652 60.2771 -5.2517 3 822.0553537 89503 303892861 892862 a-Alanine, conf. II
159446.5205 60.2712 -5.2517 3 822.0553537 89503 303892961 892762 a-Alanine, conf. II
159479.3044 4.9420 -5.1426 3 329.9350333 89503 303552431 552234 a-Alanine, conf. II
159552.7168 0.2628 -4.6292 3 40.9476111 89503 3031814 5 1713 4 a-Alanine, conf. II
159552.7194 0.2628 -4.6292 3 40.9476111 89503 3031814 4 1713 5 a-Alanine, conf. II
159570.9720111.3396 -5.5234 3 965.4690579 89503 303963264 963265 a-Alanine, conf. II
159577.3959 6.3412 -5.1856 3 338.1243303 89503 303503812 503713 a-Alanine, conf. II
159577.3959 6.3412 -5.1856 3 338.1243303 89503 303503813 503714 a-Alanine, conf. II
159580.5390111.1509 -5.5234 3 965.4690579 89503 303963364 963165 a-Alanine, conf. II
159585.7609 0.1568 -3.5276 3 94.5429171 89503 303281811 271810 a-Alanine, conf. II
159585.7650 0.1568 -3.5276 3 94.5429171 89503 303281810 2718 9 a-Alanine, conf. II
159609.5754 2.4369 -5.2673 3 511.6380435 89503 303721755 721656 a-Alanine, conf. II
159609.5754 2.4369 -4.7381 3 511.6380435 89503 303721755 721756 a-Alanine, conf. II
159609.5754 2.4369 -4.7381 3 511.6380435 89503 303721855 721656 a-Alanine, conf. II
159609.5754 2.4369 -5.2673 3 511.6380435 89503 303721855 721756 a-Alanine, conf. II
159754.9281 0.0186 -3.3379 3 79.5329171 89503 303281019 271018 a-Alanine, conf. II
159785.5038 1.9902 -5.1554 3 208.7963261 89503 303432222 432023 a-Alanine, conf. II
159803.1681 23.9253 -4.9775 3 668.9187489 89503 303812358 812359 a-Alanine, conf. II
159803.1684 23.9253 -5.4605 3 668.9187489 89503 303812358 812259 a-Alanine, conf. II
159803.1713 23.9253 -5.4605 3 668.9187489 89503 303812458 812359 a-Alanine, conf. II
159803.1715 23.9253 -4.9775 3 668.9187489 89503 303812458 812259 a-Alanine, conf. II
159805.7944 6.4062 -5.1972 3 328.6871297 89503 303493811 493712 a-Alanine, conf. II
159805.7944 6.4062 -5.1972 3 328.6871297 89503 303493812 493713 a-Alanine, conf. II
159900.4833 6.3010 -5.2210 3 483.7265381 89503 303633924 633825 a-Alanine, conf. II
159900.4833 6.3010 -5.2210 3 483.7265381 89503 303633925 633826 a-Alanine, conf. II
159917.7089 10.0983 -5.3529 3 256.3228333 89503 30355 451 55 352 a-Alanine, conf. II
159917.7089 10.0983 -4.7390 3 256.3228333 89503 30355 451 55 452 a-Alanine, conf. II
159917.7089 10.0983 -4.7390 3 256.3228333 89503 30355 551 55 352 a-Alanine, conf. II
159917.7089 10.0983 -5.3529 3 256.3228333 89503 30355 551 55 452 a-Alanine, conf. II
159926.6932 7.3303 -5.3583 3 605.5304435 89503 303724032 723933 a-Alanine, conf. II
159926.6932 7.3303 -5.3583 3 605.5304435 89503 303724033 723934 a-Alanine, conf. II
159957.6519 7.6227 -5.3218 3 562.0366453 89503 303751956 751857 a-Alanine, conf. II
159957.6519 7.6227 -4.8072 3 562.0366453 89503 303751956 751957 a-Alanine, conf. II
159957.6520 7.6227 -4.8072 3 562.0366453 89503 303752056 751857 a-Alanine, conf. II
159957.6520 7.6227 -5.3218 3 562.0366453 89503 303752056 751957 a-Alanine, conf. II
159963.5073 0.0322 -3.3680 3 77.3057165 89503 303271215 261214 a-Alanine, conf. II
159964.2196 9.9117 -5.5087 3 712.5041477 89503 303794138 794039 a-Alanine, conf. II
159964.2235 9.9117 -5.5087 3 712.5041477 89503 303794139 794040 a-Alanine, conf. II
159968.2093 9.1948 -5.2005 3 325.3314363 89503 30360 852 60 753 a-Alanine, conf. II
159968.2093 9.1948 -4.6104 3 325.3314363 89503 30360 852 60 853 a-Alanine, conf. II
159968.2093 9.1948 -4.6104 3 325.3314363 89503 30360 952 60 753 a-Alanine, conf. II
159968.2093 9.1948 -5.2005 3 325.3314363 89503 30360 952 60 853 a-Alanine, conf. II
160005.6970 0.3112 -3.2353 3 89.3529201 89503 30333 231 32 230 a-Alanine, conf. II
160005.6970 0.3112 -4.3689 3 89.3529201 89503 30333 231 32 330 a-Alanine, conf. II
160005.6970 0.3112 -4.3689 3 89.3529201 89503 30333 331 32 230 a-Alanine, conf. II
160005.6970 0.3112 -3.2353 3 89.3529201 89503 30333 331 32 330 a-Alanine, conf. II
160019.8904 0.1277 -3.4883 3 92.1007171 89503 303281712 271711 a-Alanine, conf. II
160019.9706 0.1277 -3.4883 3 92.1007171 89503 303281711 271710 a-Alanine, conf. II
160020.0283 6.4718 -5.2121 3 319.4434291 89503 303483810 483711 a-Alanine, conf. II
160020.0283 6.4718 -5.2121 3 319.4434291 89503 303483811 483712 a-Alanine, conf. II
160031.6831 14.7039 -5.3864 3 614.4688471 89503 303782157 782058 a-Alanine, conf. II
160031.6831 14.7039 -4.8872 3 614.4688471 89503 303782157 782158 a-Alanine, conf. II
160031.6834 14.7039 -4.8872 3 614.4688471 89503 303782257 782058 a-Alanine, conf. II
160031.6834 14.7039 -5.3864 3 614.4688471 89503 303782257 782158 a-Alanine, conf. II
160038.5439 7.1027 -5.5006 3 237.5844285 89503 303471928 462125 a-Alanine, conf. II
160109.1502 0.0876 -4.7568 3 36.7234117 89503 30319 910 18 711 a-Alanine, conf. II
160153.2537 2.4184 -5.1118 3 256.1103291 89503 303482325 482128 a-Alanine, conf. II
160162.8280 0.1448 -5.3108 3 24.4795 93 89503 3031510 5 14 8 6 a-Alanine, conf. II
160220.7693 6.5378 -5.2309 3 310.3927285 89503 3034738 9 473710 a-Alanine, conf. II
160220.7693 6.5378 -5.2309 3 310.3927285 89503 303473810 473711 a-Alanine, conf. II
160230.7643 2.2297 -5.1125 3 308.5604321 89503 303532429 532232 a-Alanine, conf. II
160233.1602 3.8553 -5.2109 3 445.8309411 89503 303681454 681355 a-Alanine, conf. II
160233.1602 3.8553 -4.6598 3 445.8309411 89503 303681454 681455 a-Alanine, conf. II
160233.1602 3.8553 -4.6598 3 445.8309411 89503 303681554 681355 a-Alanine, conf. II
160233.1602 3.8553 -5.2109 3 445.8309411 89503 303681554 681455 a-Alanine, conf. II
160235.6376 3.0554 -5.2761 3 194.5672261 89503 303431528 421725 a-Alanine, conf. II
160248.9022 1.8778 -5.1532 3 208.7810261 89503 303432221 432024 a-Alanine, conf. II
160299.5560 6.9853 -5.4725 3 231.9721285 89503 303471631 461828 a-Alanine, conf. II
160302.3320 1.5362 -5.2731 3 159.2518225 89503 303372117 371918 a-Alanine, conf. II
160303.6909 0.0745 -4.4888 3 87.2110189 89503 30331 526 30 625 a-Alanine, conf. II
160303.6922 0.0745 -3.2796 3 87.2110189 89503 30331 626 30 625 a-Alanine, conf. II
160303.6949 0.0745 -3.2796 3 87.2110189 89503 30331 526 30 525 a-Alanine, conf. II
160303.6963 0.0745 -4.4888 3 87.2110189 89503 30331 626 30 525 a-Alanine, conf. II
160311.3275 5.8377 -5.1251 3 288.1222309 89503 303512428 512229 a-Alanine, conf. II
160319.4236 1.5341 -5.2730 3 159.2513225 89503 303372116 371919 a-Alanine, conf. II
160330.7868 7.3503 -5.1843 3 383.7137387 89503 303641153 641054 a-Alanine, conf. II
160330.7868 7.3503 -4.6131 3 383.7137387 89503 303641153 641154 a-Alanine, conf. II
160330.7868 7.3503 -4.6131 3 383.7137387 89503 303641253 641054 a-Alanine, conf. II
160330.7868 7.3503 -5.1843 3 383.7137387 89503 303641253 641154 a-Alanine, conf. II
160342.8505 0.1455 -5.3102 3 24.4734 93 89503 3031510 6 14 8 7 a-Alanine, conf. II
160348.3441 6.3168 -5.2104 3 471.7603375 89503 303623923 623824 a-Alanine, conf. II
160348.3441 6.3168 -5.2104 3 471.7603375 89503 303623924 623825 a-Alanine, conf. II
160408.6601 6.6039 -5.2544 3 301.5350279 89503 3034638 8 4637 9 a-Alanine, conf. II
160408.6601 6.6039 -5.2544 3 301.5350279 89503 3034638 9 463710 a-Alanine, conf. II
160537.3753 71.1540 -5.3185 3 861.1712549 89503 303912962 912963 a-Alanine, conf. II
160538.1943 71.1419 -5.3185 3 861.1712549 89503 303913062 912863 a-Alanine, conf. II
160557.4592 0.1002 -3.4526 3 89.8220171 89503 303281613 271612 a-Alanine, conf. II
160558.7152 0.1002 -3.4526 3 89.8220171 89503 303281612 271611 a-Alanine, conf. II
160560.7533 43.1988 -5.1366 3 762.2998519 89503 303862660 862661 a-Alanine, conf. II
160560.8118 43.1982 -5.1366 3 762.2998519 89503 303862760 862561 a-Alanine, conf. II
160584.3161 6.6699 -5.2836 3 292.8697273 89503 3034538 7 4537 8 a-Alanine, conf. II
160584.3161 6.6699 -5.2836 3 292.8697273 89503 3034538 8 4537 9 a-Alanine, conf. II
160589.1166 7.1736 -5.3392 3 591.7920429 89503 303714031 713932 a-Alanine, conf. II
160589.1166 7.1736 -5.3392 3 591.7920429 89503 303714032 713933 a-Alanine, conf. II
160599.2769 0.1023 -4.9668 3 45.8533129 89503 303211011 20 912 a-Alanine, conf. II
160599.9958 10.3404 -5.4429 3 242.1562327 89503 30354 351 54 252 a-Alanine, conf. II
160599.9958 10.3404 -4.8233 3 242.1562327 89503 30354 351 54 352 a-Alanine, conf. II
160599.9958 10.3404 -4.8233 3 242.1562327 89503 30354 451 54 252 a-Alanine, conf. II
160599.9958 10.3404 -5.4429 3 242.1562327 89503 30354 451 54 352 a-Alanine, conf. II
160748.3279 6.7357 -5.3200 3 284.3968267 89503 3034438 6 4437 7 a-Alanine, conf. II
160748.3279 6.7357 -5.3200 3 284.3968267 89503 3034438 7 4437 8 a-Alanine, conf. II
160772.0830 6.3425 -5.2011 3 459.9914369 89503 303613922 613823 a-Alanine, conf. II
160772.0830 6.3425 -5.2011 3 459.9914369 89503 303613923 613824 a-Alanine, conf. II
160775.9922 0.1969 -4.6773 3 42.5982117 89503 3031913 7 1812 6 a-Alanine, conf. II
160776.4247 0.1969 -4.6773 3 42.5982117 89503 3031913 6 1812 7 a-Alanine, conf. II
160815.0792 9.8619 -5.2209 3 309.9707357 89503 30359 752 59 653 a-Alanine, conf. II
160815.0792 9.8619 -4.6243 3 309.9707357 89503 30359 752 59 753 a-Alanine, conf. II
160815.0792 9.8619 -4.6243 3 309.9707357 89503 30359 852 59 653 a-Alanine, conf. II
160815.0792 9.8619 -5.2209 3 309.9707357 89503 30359 852 59 753 a-Alanine, conf. II
160834.7186 9.3782 -5.4839 3 697.3775471 89503 303784137 784038 a-Alanine, conf. II
160834.7201 9.3781 -5.4839 3 697.3775471 89503 303784138 784039 a-Alanine, conf. II
160890.5240 0.0400 -3.3305 3 79.4583171 -89503 30328 919 27 918 a-Alanine, conf. II
160901.2620 6.8011 -5.3655 3 276.1159261 89503 3034338 5 4337 6 a-Alanine, conf. II
160901.2620 6.8011 -5.3655 3 276.1159261 89503 3034338 6 4337 7 a-Alanine, conf. II
160940.2973 0.0300 -4.6741 3 83.1359177 89503 30329 821 28 920 a-Alanine, conf. II
160961.2995 1.1984 -5.2485 3 493.4864429 89503 303711655 711556 a-Alanine, conf. II
160961.2995 1.1984 -4.7111 3 493.4864429 89503 303711655 711656 a-Alanine, conf. II
160961.2995 1.1984 -4.7111 3 493.4864429 89503 303711755 711556 a-Alanine, conf. II
160961.2995 1.1984 -5.2485 3 493.4864429 89503 303711755 711656 a-Alanine, conf. II
160993.9885 0.0294 -3.3175 3 83.1359177 89503 30329 921 28 920 a-Alanine, conf. II
161043.6633 6.8659 -5.4236 3 268.0267255 89503 3034238 4 4237 5 a-Alanine, conf. II
161043.6633 6.8659 -5.4236 3 268.0267255 89503 3034238 5 4237 6 a-Alanine, conf. II
161067.6130 0.0400 -3.3170 3 83.1317177 -89503 30329 821 28 820 a-Alanine, conf. II
161121.2852 0.0284 -4.6730 3 83.1317177 89503 30329 921 28 820 a-Alanine, conf. II
161172.8834 6.3765 -5.1929 3 448.4193363 89503 303603921 603822 a-Alanine, conf. II
161172.8834 6.3765 -5.1929 3 448.4193363 89503 303603922 603823 a-Alanine, conf. II
161176.0555 6.9301 -5.4997 3 260.1291249 89503 3034138 3 4137 4 a-Alanine, conf. II
161176.0555 6.9301 -5.4997 3 260.1291249 89503 3034138 4 4137 5 a-Alanine, conf. II
161216.9110 7.0536 -5.3210 3 578.2540423 89503 303704030 703931 a-Alanine, conf. II
161216.9110 7.0536 -5.3210 3 578.2540423 89503 303704031 703932 a-Alanine, conf. II
161238.2214 0.0742 -3.4197 3 87.7132171 89503 303281514 271513 a-Alanine, conf. II
161246.1513 10.5026 -4.9596 3 228.2267321 89503 30353 251 53 252 a-Alanine, conf. II
161246.1513 10.5026 -4.9596 3 228.2267321 89503 30353 351 53 152 a-Alanine, conf. II
161253.8494 0.0746 -3.4196 3 87.7134171 89503 303281513 271512 a-Alanine, conf. II
161274.1067 29.6878 -5.0312 3 704.5182501 89503 303832459 832460 a-Alanine, conf. II
161274.1072 29.6878 -5.5077 3 704.5182501 89503 303832459 832360 a-Alanine, conf. II
161274.1129 29.6878 -5.5077 3 704.5182501 89503 303832559 832460 a-Alanine, conf. II
161274.1135 29.6878 -5.0312 3 704.5182501 89503 303832559 832360 a-Alanine, conf. II
161314.4747 3.0309 -5.1246 3 246.7798285 89503 303472325 472126 a-Alanine, conf. II
161321.7900 8.4590 -5.1857 3 367.4081381 89503 303631053 63 954 a-Alanine, conf. II
161321.7900 8.4590 -4.6076 3 367.4081381 89503 303631053 631054 a-Alanine, conf. II
161321.7900 8.4590 -4.6076 3 367.4081381 89503 303631153 63 954 a-Alanine, conf. II
161321.7900 8.4590 -5.1857 3 367.4081381 89503 303631153 631054 a-Alanine, conf. II
161390.3215 5.5032 -5.2006 3 428.5945405 89503 303671354 671255 a-Alanine, conf. II
161390.3215 5.5032 -4.6420 3 428.5945405 89503 303671354 671355 a-Alanine, conf. II
161390.3215 5.5032 -4.6420 3 428.5945405 89503 303671454 671255 a-Alanine, conf. II
161390.3215 5.5032 -5.2006 3 428.5945405 89503 303671454 671355 a-Alanine, conf. II
161449.1657 0.5007 -3.2112 3 91.4264207 89503 30334 133 33 132 a-Alanine, conf. II
161449.1657 0.5007 -4.3264 3 91.4264207 89503 30334 133 33 232 a-Alanine, conf. II
161449.1657 0.5007 -4.3264 3 91.4264207 89503 30334 233 33 132 a-Alanine, conf. II
161449.1657 0.5007 -3.2112 3 91.4264207 89503 30334 233 33 232 a-Alanine, conf. II
161452.1512 4.5859 -5.2982 3 543.1977447 89503 303741856 741757 a-Alanine, conf. II
161452.1512 4.5859 -4.7749 3 543.1977447 89503 303741856 741857 a-Alanine, conf. II
161452.1512 4.5859 -4.7749 3 543.1977447 89503 303741956 741757 a-Alanine, conf. II
161452.1512 4.5859 -5.2982 3 543.1977447 89503 303741956 741857 a-Alanine, conf. II
161551.8551 6.4174 -5.1862 3 437.0437357 89503 303593920 593821 a-Alanine, conf. II
161551.8551 6.4174 -5.1862 3 437.0437357 89503 303593921 593822 a-Alanine, conf. II
161556.8809 83.5124 -5.3880 3 901.1483561 89503 303933063 933064 a-Alanine, conf. II
161558.3385 83.4881 -5.3880 3 901.1483561 89503 303933163 932964 a-Alanine, conf. II
161617.8197 10.4187 -5.2507 3 294.8418351 89503 30358 652 58 553 a-Alanine, conf. II
161617.8197 10.4187 -4.6481 3 294.8418351 89503 30358 652 58 653 a-Alanine, conf. II
161617.8197 10.4187 -4.6481 3 294.8418351 89503 30358 752 58 553 a-Alanine, conf. II
161617.8197 10.4187 -5.2507 3 294.8418351 89503 30358 752 58 653 a-Alanine, conf. II
161636.1349 19.0667 -4.9357 3 648.7294483 89503 303802258 802259 a-Alanine, conf. II
161636.1350 19.0667 -5.4285 3 648.7294483 89503 303802258 802159 a-Alanine, conf. II
161636.1356 19.0667 -4.9357 3 648.7294483 89503 303802358 802159 a-Alanine, conf. II
161636.1356 19.0667 -5.4285 3 648.7294483 89503 303802358 802259 a-Alanine, conf. II
161659.0926 8.9375 -5.4601 3 682.4542465 89503 303774136 774037 a-Alanine, conf. II
161659.0932 8.9375 -5.4601 3 682.4542465 89503 303774137 774038 a-Alanine, conf. II
161685.3248 10.8227 -5.3585 3 594.9505465 89503 303772057 771958 a-Alanine, conf. II
161685.3248 10.8227 -4.8500 3 594.9505465 89503 303772057 772058 a-Alanine, conf. II
161685.3248 10.8227 -4.8500 3 594.9505465 89503 303772157 771958 a-Alanine, conf. II
161685.3248 10.8227 -5.3585 3 594.9505465 89503 303772157 772058 a-Alanine, conf. II
161725.0259 0.1291 -3.2558 3 89.8934195 89503 30332 428 31 427 a-Alanine, conf. II
161725.0259 0.1291 -4.4340 3 89.8934195 89503 30332 428 31 527 a-Alanine, conf. II
161725.0259 0.1291 -4.4340 3 89.8934195 89503 30332 528 31 427 a-Alanine, conf. II
161725.0259 0.1291 -3.2558 3 89.8934195 89503 30332 528 31 527 a-Alanine, conf. II
161811.7356 1.5514 -5.3074 3 152.1271219 89503 303362116 361917 a-Alanine, conf. II
161811.9955 6.9647 -5.3038 3 564.9160417 89503 303694029 693930 a-Alanine, conf. II
161811.9955 6.9647 -5.3038 3 564.9160417 89503 303694030 693931 a-Alanine, conf. II
161817.8549 1.5507 -5.3074 3 152.1269219 89503 303362115 361918 a-Alanine, conf. II
161821.5606 0.1457 -4.7385 3 44.6347123 89503 3032012 9 1911 8 a-Alanine, conf. II
161821.9416 51.7464 -5.1983 3 800.0979531 89503 303882761 882762 a-Alanine, conf. II
161822.0506 51.7450 -5.1983 3 800.0979531 89503 303882861 882662 a-Alanine, conf. II
161853.0123 0.1459 -4.7384 3 44.6338123 89503 3032012 8 1911 9 a-Alanine, conf. II
161858.0347 10.5905 -5.2214 3 214.5357315 89503 30352 151 52 152 a-Alanine, conf. II
161858.0347 10.5905 -5.2214 3 214.5357315 89503 30352 251 52 052 a-Alanine, conf. II
161910.0416 6.4643 -5.1808 3 425.8643351 89503 303583919 583820 a-Alanine, conf. II
161910.0416 6.4643 -5.1808 3 425.8643351 89503 303583920 583821 a-Alanine, conf. II
161929.5196 0.1049 -4.8306 3 47.1100129 89503 303211111 201010 a-Alanine, conf. II
161961.7512 0.4784 -5.4488 3 154.7244231 89503 303381623 371720 a-Alanine, conf. II
161989.7014 0.0332 -4.7909 3 79.4583171 89503 303281019 27 918 a-Alanine, conf. II
162095.6312 0.0498 -3.3891 3 85.7833171 89503 303281415 271414 a-Alanine, conf. II
162102.8143 0.1019 -5.0406 3 29.4307105 89503 30317 9 9 16 710 a-Alanine, conf. II
162175.5615 9.8897 -5.1739 3 340.8908339 89503 303562432 562235 a-Alanine, conf. II
162187.4994 0.0432 -4.5853 3 86.4970183 89503 30330 723 29 822 a-Alanine, conf. II
162189.1149 0.0432 -3.2964 3 86.4970183 89503 30330 823 29 822 a-Alanine, conf. II
162191.7280 0.0432 -3.2964 3 86.4968183 89503 30330 723 29 722 a-Alanine, conf. II
162193.3435 0.0432 -4.5852 3 86.4968183 89503 30330 823 29 722 a-Alanine, conf. II
162239.8859 2.7649 -5.2322 3 475.5516423 89503 303701555 701456 a-Alanine, conf. II
162239.8859 2.7649 -4.6869 3 475.5516423 89503 303701555 701556 a-Alanine, conf. II
162239.8859 2.7649 -4.6869 3 475.5516423 89503 303701655 701456 a-Alanine, conf. II
162239.8859 2.7649 -5.2322 3 475.5516423 89503 303701655 701556 a-Alanine, conf. II
162245.5511 0.0521 -3.3883 3 85.7863171 89503 303281414 271413 a-Alanine, conf. II
162248.4265 6.5160 -5.1769 3 414.8806345 89503 303573918 573819 a-Alanine, conf. II
162248.4265 6.5160 -5.1769 3 414.8806345 89503 303573919 573820 a-Alanine, conf. II
162261.2888 9.4288 -5.1921 3 351.3297375 89503 30362 953 62 854 a-Alanine, conf. II
162261.2888 9.4288 -4.6073 3 351.3297375 89503 30362 953 62 954 a-Alanine, conf. II
162261.2888 9.4288 -4.6073 3 351.3297375 89503 303621053 62 854 a-Alanine, conf. II
162261.2888 9.4288 -5.1921 3 351.3297375 89503 303621053 62 954 a-Alanine, conf. II
162315.6970 0.0400 -3.3224 3 75.2533165 -89503 303271017 261016 a-Alanine, conf. II
162333.2774 1.8778 -5.1708 3 200.4346255 89503 303422221 422022 a-Alanine, conf. II
162339.4377 0.0162 -3.3326 3 81.0165171 89503 303281118 271117 a-Alanine, conf. II
162365.1870 2.7004 -5.1066 3 298.1623315 89503 303522428 522231 a-Alanine, conf. II
162376.1363 6.9020 -5.2876 3 551.7774411 89503 303684028 683929 a-Alanine, conf. II
162376.1363 6.9020 -5.2876 3 551.7774411 89503 303684029 683930 a-Alanine, conf. II
162378.8846 10.8721 -5.2934 3 279.9461345 89503 30357 552 57 453 a-Alanine, conf. II
162378.8846 10.8721 -4.6848 3 279.9461345 89503 30357 552 57 553 a-Alanine, conf. II
162378.8846 10.8721 -4.6848 3 279.9461345 89503 30357 652 57 453 a-Alanine, conf. II
162378.8846 10.8721 -5.2934 3 279.9461345 89503 30357 652 57 553 a-Alanine, conf. II
162410.7670 0.0722 -5.2815 3 26.1894105 89503 30317 512 16 313 a-Alanine, conf. II
162440.2659 8.5760 -5.4371 3 667.7335459 89503 303764135 764036 a-Alanine, conf. II
162440.2661 8.5760 -5.4371 3 667.7335459 89503 303764136 764037 a-Alanine, conf. II
162486.6241 6.9956 -5.1935 3 411.5804399 89503 303661254 661155 a-Alanine, conf. II
162486.6241 6.9956 -4.6278 3 411.5804399 89503 303661254 661255 a-Alanine, conf. II
162486.6241 6.9956 -4.6278 3 411.5804399 89503 303661354 661155 a-Alanine, conf. II
162486.6241 6.9956 -5.1935 3 411.5804399 89503 303661354 661255 a-Alanine, conf. II
162501.9616 97.5235 -5.4603 3 941.9844573 89503 303953164 953165 a-Alanine, conf. II
162504.5287 97.4756 -5.4603 3 941.9844573 89503 303953264 953065 a-Alanine, conf. II
162532.1348 1.8338 -5.1699 3 200.4280255 89503 303422220 422023 a-Alanine, conf. II
162567.9385 6.5718 -5.1746 3 404.0922339 89503 303563917 563818 a-Alanine, conf. II
162567.9385 6.5718 -5.1746 3 404.0922339 89503 303563918 563819 a-Alanine, conf. II
162579.3620 0.4325 -4.5336 3 41.7399105 89503 3031716 1 1615 2 a-Alanine, conf. II
162579.3620 0.4325 -4.5336 3 41.7399105 89503 3031716 2 1615 1 a-Alanine, conf. II
162686.5308 36.3411 -5.0879 3 740.9898513 89503 303852560 852561 a-Alanine, conf. II
162686.5438 36.3410 -5.0879 3 740.9898513 89503 303852660 852461 a-Alanine, conf. II
162737.8675 0.2718 -5.1872 3 100.9687189 89503 303311219 301318 a-Alanine, conf. II
162837.3391 1.0759 -5.4171 3 147.4860225 89503 303371621 361720 a-Alanine, conf. II
162864.1378 2.0087 -5.2768 3 524.5718441 89503 303731756 731657 a-Alanine, conf. II
162864.1378 2.0087 -4.7452 3 524.5718441 89503 303731756 731757 a-Alanine, conf. II
162864.1378 2.0087 -4.7452 3 524.5718441 89503 303731856 731657 a-Alanine, conf. II
162864.1378 2.0087 -5.2768 3 524.5718441 89503 303731856 731757 a-Alanine, conf. II
162869.4563 6.6310 -5.1741 3 393.4989333 89503 303553916 553817 a-Alanine, conf. II
162869.4563 6.6310 -5.1741 3 393.4989333 89503 303553917 553818 a-Alanine, conf. II
162885.6055 0.6809 -5.3481 3 123.1078207 89503 303341420 331519 a-Alanine, conf. II
162887.4741 0.7671 -3.1874 3 93.3183213 89503 30335 035 34 034 a-Alanine, conf. II
162887.4741 0.7671 -4.2869 3 93.3183213 89503 30335 035 34 134 a-Alanine, conf. II
162887.4741 0.7671 -4.2869 3 93.3183213 89503 30335 135 34 034 a-Alanine, conf. II
162887.4741 0.7671 -3.1874 3 93.3183213 89503 30335 135 34 134 a-Alanine, conf. II
162906.3749 2.3881 -5.1170 3 246.7276285 89503 303472324 472127 a-Alanine, conf. II
162910.9645 6.8616 -5.2724 3 538.8379405 89503 303674027 673928 a-Alanine, conf. II
162910.9645 6.8616 -5.2724 3 538.8379405 89503 303674028 673929 a-Alanine, conf. II
162969.0482 0.1111 -4.8269 3 47.0831129 89503 303211110 201011 a-Alanine, conf. II
163012.1440 0.0400 -3.3612 3 84.0412171 -89503 303281316 271315 a-Alanine, conf. II
163018.2634 61.5002 -5.2629 3 838.7618543 89503 303902862 902863 a-Alanine, conf. II
163018.4642 61.4974 -5.2629 3 838.7618543 89503 303902962 902763 a-Alanine, conf. II
163100.5270 11.2285 -5.3545 3 265.2849339 89503 30356 452 56 353 a-Alanine, conf. II
163100.5270 11.2285 -4.7400 3 265.2849339 89503 30356 452 56 453 a-Alanine, conf. II
163100.5270 11.2285 -4.7400 3 265.2849339 89503 30356 552 56 353 a-Alanine, conf. II
163100.5270 11.2285 -5.3545 3 265.2849339 89503 30356 552 56 453 a-Alanine, conf. II
163103.3187 0.7025 -5.0896 3 177.8500249 89503 303411526 401723 a-Alanine, conf. II
163152.3626 10.2673 -5.2045 3 335.4802369 89503 30361 853 61 754 a-Alanine, conf. II
163152.3626 10.2673 -4.6134 3 335.4802369 89503 30361 853 61 854 a-Alanine, conf. II
163152.3626 10.2673 -4.6134 3 335.4802369 89503 30361 953 61 754 a-Alanine, conf. II
163152.3626 10.2673 -5.2045 3 335.4802369 89503 30361 953 61 854 a-Alanine, conf. II
163152.5617 9.0177 -5.1341 3 321.9212327 89503 303542530 542331 a-Alanine, conf. II
163153.8132 6.6929 -5.1755 3 383.1004327 89503 303543915 543816 a-Alanine, conf. II
163153.8132 6.6929 -5.1755 3 383.1004327 89503 303543916 543817 a-Alanine, conf. II
163158.4677 1.5750 -5.3460 3 145.2092213 89503 303352115 351916 a-Alanine, conf. II
163160.5529 1.5747 -5.3459 3 145.2092213 89503 303352114 351917 a-Alanine, conf. II
163162.8663 0.2256 -3.2320 3 92.3849201 89503 30333 330 32 329 a-Alanine, conf. II
163162.8663 0.2256 -4.3851 3 92.3849201 89503 30333 330 32 429 a-Alanine, conf. II
163162.8663 0.2256 -4.3851 3 92.3849201 89503 30333 430 32 329 a-Alanine, conf. II
163162.8663 0.2256 -3.2320 3 92.3849201 89503 30333 430 32 429 a-Alanine, conf. II
163180.8815 8.2818 -5.4150 3 653.2148453 89503 303754134 754035 a-Alanine, conf. II
163180.8815 8.2818 -5.4150 3 653.2148453 89503 303754135 754036 a-Alanine, conf. II
163185.6908 24.1624 -4.9872 3 683.8659495 89503 303822359 822360 a-Alanine, conf. II
163185.6909 24.1624 -5.4737 3 683.8659495 89503 303822359 822260 a-Alanine, conf. II
163185.6921 24.1624 -5.4737 3 683.8659495 89503 303822459 822360 a-Alanine, conf. II
163185.6922 24.1624 -4.9872 3 683.8659495 89503 303822459 822260 a-Alanine, conf. II
163245.0284 7.2963 -5.3326 3 575.6408459 89503 303761957 761858 a-Alanine, conf. II
163245.0284 7.2963 -4.8153 3 575.6408459 89503 303761957 761958 a-Alanine, conf. II
163245.0284 7.2963 -4.8153 3 575.6408459 89503 303762057 761858 a-Alanine, conf. II
163245.0284 7.2963 -5.3326 3 575.6408459 89503 303762057 761958 a-Alanine, conf. II
163322.7330 0.0400 -3.3239 3 76.1441165 -89503 303271116 261115 a-Alanine, conf. II
163336.8423 0.5441 -4.5090 3 132.6436177 89503 3032928 1 2828 0 a-Alanine, conf. II
163336.8423 0.5441 -4.5090 3 132.6436177 89503 3032928 2 2828 1 a-Alanine, conf. II
163360.9728 14.6282 -5.3984 3 628.7441477 89503 303792158 792059 a-Alanine, conf. II
163360.9728 14.6282 -4.8961 3 628.7441477 89503 303792158 792159 a-Alanine, conf. II
163360.9729 14.6282 -4.8961 3 628.7441477 89503 303792258 792059 a-Alanine, conf. II
163360.9729 14.6282 -5.3984 3 628.7441477 89503 303792258 792159 a-Alanine, conf. II
163390.1600 0.0400 -3.3402 3 82.4761171 -89503 303281217 271216 a-Alanine, conf. II
163417.9911 6.8400 -5.2582 3 526.0968399 89503 303664026 663927 a-Alanine, conf. II
163417.9911 6.8400 -5.2582 3 526.0968399 89503 303664027 663928 a-Alanine, conf. II
163421.8004 6.7570 -5.1789 3 372.8963321 89503 303533914 533815 a-Alanine, conf. II
163421.8004 6.7570 -5.1789 3 372.8963321 89503 303533915 533816 a-Alanine, conf. II
163449.0010 0.4986 -4.2068 3 128.6924177 89503 3032927 2 2827 1 a-Alanine, conf. II
163449.0010 0.4986 -4.2068 3 128.6924177 89503 3032927 3 2827 2 a-Alanine, conf. II
163450.6534 4.6514 -5.2186 3 457.8357417 89503 303691455 691356 a-Alanine, conf. II
163450.6534 4.6514 -4.6657 3 457.8357417 89503 303691455 691456 a-Alanine, conf. II
163450.6534 4.6514 -4.6657 3 457.8357417 89503 303691555 691356 a-Alanine, conf. II
163450.6534 4.6514 -5.2186 3 457.8357417 89503 303691555 691456 a-Alanine, conf. II
163511.1238 0.0604 -4.5150 3 89.6315189 89503 30331 625 30 724 a-Alanine, conf. II
163511.1563 0.0604 -3.2742 3 89.6315189 89503 30331 725 30 724 a-Alanine, conf. II
163511.2157 0.0604 -3.2742 3 89.6315189 89503 30331 625 30 624 a-Alanine, conf. II
163511.2482 0.0604 -4.5150 3 89.6315189 89503 30331 725 30 624 a-Alanine, conf. II
163526.0466 8.3287 -5.1902 3 394.7904393 89503 303651154 651055 a-Alanine, conf. II
163526.0466 8.3287 -4.6176 3 394.7904393 89503 303651154 651155 a-Alanine, conf. II
163526.0466 8.3287 -4.6176 3 394.7904393 89503 303651254 651055 a-Alanine, conf. II
163526.0466 8.3287 -5.1902 3 394.7904393 89503 303651254 651155 a-Alanine, conf. II
163574.8960 0.4546 -4.0300 3 124.8887177 89503 3032926 3 2826 2 a-Alanine, conf. II
163574.8960 0.4546 -4.0300 3 124.8887177 89503 3032926 4 2826 3 a-Alanine, conf. II
163594.0027 0.0650 -5.2782 3 26.1900105 89503 30317 612 16 413 a-Alanine, conf. II
163674.1711 6.8228 -5.1846 3 362.8862315 89503 303523913 523814 a-Alanine, conf. II
163674.1711 6.8228 -5.1846 3 362.8862315 89503 303523914 523815 a-Alanine, conf. II
163716.8767 0.4123 -3.9046 3 121.2329177 89503 3032925 4 2825 3 a-Alanine, conf. II
163716.8767 0.4123 -3.9046 3 121.2329177 89503 3032925 5 2825 4 a-Alanine, conf. II
163745.4979 1.7350 -5.1464 3 186.0822255 89503 303421527 411724 a-Alanine, conf. II
163784.8244 11.4943 -5.4441 3 250.8596333 89503 30355 352 55 253 a-Alanine, conf. II
163784.8244 11.4943 -4.8240 3 250.8596333 89503 30355 352 55 353 a-Alanine, conf. II
163784.8244 11.4943 -4.8240 3 250.8596333 89503 30355 452 55 253 a-Alanine, conf. II
163784.8244 11.4943 -5.4441 3 250.8596333 89503 30355 452 55 353 a-Alanine, conf. II
163861.4577 0.7589 -5.4381 3 164.2478237 89503 303391723 381820 a-Alanine, conf. II
163877.8452 0.3715 -3.8077 3 117.7258177 89503 3032924 5 2824 4 a-Alanine, conf. II
163877.8452 0.3715 -3.8077 3 117.7258177 89503 3032924 6 2824 5 a-Alanine, conf. II
163883.3388 8.0447 -5.3939 3 638.8975447 89503 303744133 744034 a-Alanine, conf. II
163883.3389 8.0447 -5.3939 3 638.8975447 89503 303744134 744035 a-Alanine, conf. II
163884.1019 0.3359 -4.5710 3 42.8691111 89503 3031815 4 1714 3 a-Alanine, conf. II
163884.1020 0.3359 -4.5710 3 42.8691111 89503 3031815 3 1714 4 a-Alanine, conf. II
163885.5392 0.0301 -4.7437 3 84.8617177 89503 30329 920 281019 a-Alanine, conf. II
163898.6201 6.8343 -5.2452 3 513.5538393 89503 303654025 653926 a-Alanine, conf. II
163898.6201 6.8343 -5.2452 3 513.5538393 89503 303654026 653927 a-Alanine, conf. II
163911.6425 6.8900 -5.1929 3 353.0700309 89503 303513912 513813 a-Alanine, conf. II
163911.6425 6.8900 -5.1929 3 353.0700309 89503 303513913 513814 a-Alanine, conf. II
163912.3760 0.0686 -4.8821 3 86.4315177 89503 303291019 281118 a-Alanine, conf. II
163997.8093 10.9821 -5.2244 3 319.8610363 89503 30360 753 60 654 a-Alanine, conf. II
163997.8093 10.9821 -4.6270 3 319.8610363 89503 30360 753 60 754 a-Alanine, conf. II
163997.8093 10.9821 -4.6270 3 319.8610363 89503 30360 853 60 654 a-Alanine, conf. II
163997.8093 10.9821 -5.2244 3 319.8610363 89503 30360 853 60 754 a-Alanine, conf. II
164039.1852 43.9855 -5.1475 3 778.3312525 89503 303872661 872662 a-Alanine, conf. II
164039.2102 43.9852 -5.1475 3 778.3312525 89503 303872761 872562 a-Alanine, conf. II
164044.8799 0.0381 -3.3555 3 84.0683171 89503 303281315 271314 a-Alanine, conf. II
164061.4326 0.3322 -3.7288 3 114.3681177 89503 3032923 6 2823 5 a-Alanine, conf. II
164061.4326 0.3322 -3.7288 3 114.3681177 89503 3032923 7 2823 6 a-Alanine, conf. II
164073.4297 1.7486 -5.1525 3 187.7540255 89503 303421626 411823 a-Alanine, conf. II
164134.8997 6.9581 -5.2041 3 343.4472303 89503 303503911 503812 a-Alanine, conf. II
164134.8997 6.9581 -5.2041 3 343.4472303 89503 303503912 503813 a-Alanine, conf. II
164147.8784 72.5949 -5.3302 3 878.2892555 89503 303922963 922964 a-Alanine, conf. II
164148.2440 72.5892 -5.3302 3 878.2892555 89503 303923063 922864 a-Alanine, conf. II
164200.0486 1.5619 -5.2576 3 506.1608435 89503 303721656 721557 a-Alanine, conf. II
164200.0486 1.5619 -4.7181 3 506.1608435 89503 303721656 721657 a-Alanine, conf. II
164200.0486 1.5619 -4.7181 3 506.1608435 89503 303721756 721557 a-Alanine, conf. II
164200.0486 1.5619 -5.2576 3 506.1608435 89503 303721756 721657 a-Alanine, conf. II
164253.2539138.9051 -5.4952 3 660.3225471 89503 303783346 783147 a-Alanine, conf. II
164272.2484 0.2946 -3.6625 3 111.1609177 89503 3032922 7 2822 6 a-Alanine, conf. II
164272.2484 0.2946 -3.6625 3 111.1609177 89503 3032922 8 2822 7 a-Alanine, conf. II
164344.5970 7.0269 -5.2187 3 334.0177297 89503 303493910 493811 a-Alanine, conf. II
164344.5970 7.0269 -5.2187 3 334.0177297 89503 303493911 493812 a-Alanine, conf. II
164354.1599 6.8422 -5.2332 3 501.2084387 89503 303644024 643925 a-Alanine, conf. II
164354.1599 6.8422 -5.2332 3 501.2084387 89503 303644025 643926 a-Alanine, conf. II
164363.5796 1.6047 -5.3891 3 138.4966207 89503 303342114 341915 a-Alanine, conf. II
164364.2544 1.6046 -5.3891 3 138.4966207 89503 303342113 341916 a-Alanine, conf. II
164399.8910 0.0400 -3.3075 3 84.8617177 -89503 303291020 281019 a-Alanine, conf. II
164424.9626 1.0269 -5.4524 3 174.1310243 89503 303401823 391920 a-Alanine, conf. II
164433.6984 11.6753 -4.9599 3 236.6713327 89503 30354 252 54 253 a-Alanine, conf. II
164433.6984 11.6753 -4.9599 3 236.6713327 89503 30354 352 54 153 a-Alanine, conf. II
164512.1599 9.5080 -5.1912 3 378.2262387 89503 303641054 64 955 a-Alanine, conf. II
164512.1599 9.5080 -4.6118 3 378.2262387 89503 303641054 641055 a-Alanine, conf. II
164512.1599 9.5080 -4.6118 3 378.2262387 89503 303641154 64 955 a-Alanine, conf. II
164512.1599 9.5080 -5.1912 3 378.2262387 89503 303641154 641055 a-Alanine, conf. II
164516.2477 0.2584 -3.6055 3 108.1052177 89503 3032921 8 2821 7 a-Alanine, conf. II
164516.2477 0.2584 -3.6055 3 108.1052177 89503 3032921 9 2821 8 a-Alanine, conf. II
164520.0407 0.0964 -4.6461 3 40.5343123 89503 30320 911 19 712 a-Alanine, conf. II
164526.2005 1.8212 -5.1903 3 192.2914249 89503 303412220 412021 a-Alanine, conf. II
164541.3609 7.0960 -5.2372 3 324.7811291 89503 3034839 9 483810 a-Alanine, conf. II
164541.3609 7.0960 -5.2372 3 324.7811291 89503 303483910 483811 a-Alanine, conf. II
164545.5597 1.2663 -5.4764 3 184.3624249 89503 303411923 402020 a-Alanine, conf. II
164549.8260 7.8563 -5.3737 3 624.7811441 89503 303734132 734033 a-Alanine, conf. II
164549.8260 7.8563 -5.3737 3 624.7811441 89503 303734133 734034 a-Alanine, conf. II
164598.3061 6.4036 -5.2079 3 440.3405411 89503 303681355 681256 a-Alanine, conf. II
164598.3061 6.4036 -4.6478 3 440.3405411 89503 303681355 681356 a-Alanine, conf. II
164598.3061 6.4036 -4.6478 3 440.3405411 89503 303681455 681256 a-Alanine, conf. II
164598.3061 6.4036 -5.2079 3 440.3405411 89503 303681455 681356 a-Alanine, conf. II
164605.7426 0.3765 -3.2085 3 94.6901207 89503 30334 232 33 231 a-Alanine, conf. II
164605.7426 0.3765 -4.3407 3 94.6901207 89503 30334 232 33 331 a-Alanine, conf. II
164605.7426 0.3765 -4.3407 3 94.6901207 89503 30334 332 33 231 a-Alanine, conf. II
164605.7426 0.3765 -3.2085 3 94.6901207 89503 30334 332 33 331 a-Alanine, conf. II
164607.7900 1.8046 -5.1899 3 192.2887249 89503 303412219 412022 a-Alanine, conf. II
164639.2526 1.4947 -5.5038 3 194.9362255 89503 303422023 412120 a-Alanine, conf. II
164679.3835 30.0747 -5.0417 3 719.8764507 89503 303842460 842461 a-Alanine, conf. II
164679.3862 30.0747 -5.0417 3 719.8764507 89503 303842560 842361 a-Alanine, conf. II
164718.7104 4.1339 -5.3087 3 556.5422453 89503 303751857 751758 a-Alanine, conf. II
164718.7104 4.1339 -4.7829 3 556.5422453 89503 303751857 751858 a-Alanine, conf. II
164718.7104 4.1339 -4.7829 3 556.5422453 89503 303751957 751758 a-Alanine, conf. II
164718.7104 4.1339 -5.3087 3 556.5422453 89503 303751957 751858 a-Alanine, conf. II
164725.7919 7.1653 -5.2604 3 315.7371285 89503 3034739 8 4738 9 a-Alanine, conf. II
164725.7919 7.1653 -5.2604 3 315.7371285 89503 3034739 9 473810 a-Alanine, conf. II
164785.8327 6.8615 -5.2223 3 489.0603381 89503 303634023 633924 a-Alanine, conf. II
164785.8327 6.8615 -5.2223 3 489.0603381 89503 303634024 633925 a-Alanine, conf. II
164800.1830 11.5805 -5.2539 3 304.4736357 89503 30359 653 59 554 a-Alanine, conf. II
164800.1830 11.5805 -4.6504 3 304.4736357 89503 30359 653 59 654 a-Alanine, conf. II
164800.1830 11.5805 -4.6504 3 304.4736357 89503 30359 753 59 554 a-Alanine, conf. II
164800.1830 11.5805 -5.2539 3 304.4736357 89503 30359 753 59 654 a-Alanine, conf. II
164801.2886 0.2238 -3.5556 3 105.2027177 89503 303292010 2820 9 a-Alanine, conf. II
164801.2887 0.2238 -3.5556 3 105.2027177 89503 3032920 9 2820 8 a-Alanine, conf. II
164831.8033 2.5836 -5.1288 3 237.5844279 89503 303462324 462125 a-Alanine, conf. II
164843.0745 0.1381 -5.1966 3 27.3717 99 89503 3031610 6 15 8 7 a-Alanine, conf. II
164844.3724 1.5546 -5.5026 3 194.9360255 89503 303422022 412121 a-Alanine, conf. II
164892.6631 4.0847 -5.1401 3 354.6707345 89503 303572532 572335 a-Alanine, conf. II
164898.4657 7.2345 -5.2893 3 306.8856279 89503 3034639 7 4638 8 a-Alanine, conf. II
164898.4657 7.2345 -5.2893 3 306.8856279 89503 3034639 8 4638 9 a-Alanine, conf. II
164902.2504 0.0938 -4.4556 3 92.5581195 89503 30332 527 31 626 a-Alanine, conf. II
164902.2509 0.0938 -3.2514 3 92.5581195 89503 30332 627 31 626 a-Alanine, conf. II
164902.2518 0.0938 -3.2514 3 92.5581195 89503 30332 527 31 526 a-Alanine, conf. II
164902.2522 0.0938 -4.4556 3 92.5581195 89503 30332 627 31 526 a-Alanine, conf. II
164983.8366 19.1073 -5.4415 3 663.4154489 89503 303812259 812160 a-Alanine, conf. II
164983.8366 19.1073 -4.9454 3 663.4154489 89503 303812259 812260 a-Alanine, conf. II
164983.8368 19.1073 -5.4415 3 663.4154489 89503 303812359 812260 a-Alanine, conf. II
164983.8369 19.1073 -4.9454 3 663.4154489 89503 303812359 812160 a-Alanine, conf. II
164984.6816 0.0212 -3.3039 3 84.8250177 89503 30329 920 28 919 a-Alanine, conf. II
164987.6023 10.5772 -5.3703 3 608.9654471 89503 303782058 781959 a-Alanine, conf. II
164987.6023 10.5772 -4.8590 3 608.9654471 89503 303782058 782059 a-Alanine, conf. II
164987.6023 10.5772 -4.8590 3 608.9654471 89503 303782158 781959 a-Alanine, conf. II
164987.6023 10.5772 -5.3703 3 608.9654471 89503 303782158 782059 a-Alanine, conf. II
165019.6333 2.9470 -5.1043 3 287.9689309 89503 303512427 512230 a-Alanine, conf. II
165048.9334 11.7774 -5.2214 3 222.7213321 89503 30353 152 53 153 a-Alanine, conf. II
165048.9334 11.7774 -5.2214 3 222.7213321 89503 30353 252 53 053 a-Alanine, conf. II
165059.9357 7.3035 -5.3254 3 298.2262273 89503 3034539 6 4538 7 a-Alanine, conf. II
165059.9357 7.3035 -5.3254 3 298.2262273 89503 3034539 7 4538 8 a-Alanine, conf. II
165138.0182 0.1908 -3.5113 3 102.4554177 89503 303291911 281910 a-Alanine, conf. II
165138.0189 0.1908 -3.5113 3 102.4554177 89503 303291910 2819 9 a-Alanine, conf. II
165151.8354 0.2560 -4.6133 3 44.3562117 89503 3031914 6 1813 5 a-Alanine, conf. II
165151.8506 0.2560 -4.6133 3 44.3562117 89503 3031914 5 1813 6 a-Alanine, conf. II
165182.3457 7.7091 -5.3543 3 610.8650435 89503 303724131 724032 a-Alanine, conf. II
165182.3457 7.7091 -5.3543 3 610.8650435 89503 303724132 724033 a-Alanine, conf. II
165194.7833 6.8905 -5.2127 3 477.1090375 89503 303624022 623923 a-Alanine, conf. II
165194.7833 6.8905 -5.2127 3 477.1090375 89503 303624023 623924 a-Alanine, conf. II
165208.7536 85.1798 -5.4003 3 918.6777567 89503 303943064 943065 a-Alanine, conf. II
165209.4123 85.1682 -5.4003 3 918.6777567 89503 303943164 942965 a-Alanine, conf. II
165210.7336 7.3720 -5.3706 3 289.7588267 89503 3034439 5 4438 6 a-Alanine, conf. II
165210.7336 7.3720 -5.3706 3 289.7588267 89503 3034439 6 4438 7 a-Alanine, conf. II
165215.7677 1.4176 -5.4724 3 184.3613249 89503 303411922 402021 a-Alanine, conf. II
165272.6747 0.1556 -5.4309 3 39.7350123 89503 30320 812 19 713 a-Alanine, conf. II
165330.7029 52.7313 -5.2099 3 816.5405537 89503 303892762 892763 a-Alanine, conf. II
165330.7500 52.7307 -5.2099 3 816.5405537 89503 303892862 892663 a-Alanine, conf. II
165351.3714 7.4400 -5.4284 3 281.4830261 89503 3034339 4 4338 5 a-Alanine, conf. II
165351.3714 7.4400 -5.4284 3 281.4830261 89503 3034339 5 4338 6 a-Alanine, conf. II
165367.8496 0.1404 -5.1951 3 27.3539 99 89503 3031610 7 15 8 8 a-Alanine, conf. II
165383.2958 13.8673 -5.1532 3 357.6138345 89503 303572632 572433 a-Alanine, conf. II
165436.1212 0.1097 -5.1005 3 30.4802111 89503 30318 612 17 413 a-Alanine, conf. II
165441.8430 2.4096 -5.1235 3 343.4874339 89503 303562531 562334 a-Alanine, conf. II
165443.5701 1.6389 -5.4373 3 131.9877201 89503 303332113 331914 a-Alanine, conf. II
165443.7770 1.6389 -5.4373 3 131.9877201 89503 303332112 331915 a-Alanine, conf. II
165448.1860 10.5410 -5.1972 3 361.8893381 89503 30363 954 63 855 a-Alanine, conf. II
165448.1860 10.5410 -4.6113 3 361.8893381 89503 30363 954 63 955 a-Alanine, conf. II
165448.1860 10.5410 -4.6113 3 361.8893381 89503 303631054 63 855 a-Alanine, conf. II
165448.1860 10.5410 -5.1972 3 361.8893381 89503 303631054 63 955 a-Alanine, conf. II
165465.5190 3.5194 -5.2410 3 487.9670429 89503 303711556 711457 a-Alanine, conf. II
165465.5190 3.5194 -4.6938 3 487.9670429 89503 303711556 711557 a-Alanine, conf. II
165465.5190 3.5194 -4.6938 3 487.9670429 89503 303711656 711457 a-Alanine, conf. II
165465.5190 3.5194 -5.2410 3 487.9670429 89503 303711656 711557 a-Alanine, conf. II
165480.5054 4.3678 -5.1159 3 278.0646303 89503 303502427 502228 a-Alanine, conf. II
165482.3419 7.5074 -5.5042 3 273.3986255 89503 3034239 3 4238 4 a-Alanine, conf. II
165482.3419 7.5074 -5.5042 3 273.3986255 89503 3034239 4 4238 5 a-Alanine, conf. II
165499.0092 0.0261 -4.7336 3 84.8250177 89503 303291020 28 919 a-Alanine, conf. II
165520.2978 0.0389 -4.6275 3 88.5061183 89503 30330 822 29 921 a-Alanine, conf. II
165541.3538 0.1593 -3.4715 3 99.8661177 89503 303291812 281811 a-Alanine, conf. II
165541.3700 0.1593 -3.4715 3 99.8661177 89503 303291811 281810 a-Alanine, conf. II
165542.3586 0.0387 -3.2884 3 88.5061183 89503 30330 922 29 921 a-Alanine, conf. II
165549.8164 0.1418 -5.2110 3 44.7009129 89503 30321 912 20 813 a-Alanine, conf. II
165561.8241 12.0697 -5.2961 3 289.3193351 89503 30358 553 58 454 a-Alanine, conf. II
165561.8241 12.0697 -4.6869 3 289.3193351 89503 30358 553 58 554 a-Alanine, conf. II
165561.8241 12.0697 -4.6869 3 289.3193351 89503 30358 653 58 454 a-Alanine, conf. II
165561.8241 12.0697 -5.2961 3 289.3193351 89503 30358 653 58 554 a-Alanine, conf. II
165573.1981 2.3104 -5.1253 3 237.5600279 89503 303462323 462126 a-Alanine, conf. II
165573.9890 0.0384 -3.2882 3 88.5043183 89503 30330 822 29 821 a-Alanine, conf. II
165579.2082 0.1437 -5.0118 3 93.5672183 89503 303301119 291218 a-Alanine, conf. II
165582.0869 6.9278 -5.2043 3 465.3542369 89503 303614021 613922 a-Alanine, conf. II
165582.0869 6.9278 -5.2043 3 465.3542369 89503 303614022 613923 a-Alanine, conf. II
165596.0498 0.0383 -4.6270 3 88.5043183 89503 30330 922 29 821 a-Alanine, conf. II
165610.3409 9.8551 -5.5015 3 717.8399477 89503 303794237 794138 a-Alanine, conf. II
165610.3412 9.8551 -5.5015 3 717.8399477 89503 303794238 794139 a-Alanine, conf. II
165630.2053 14.0235 -5.3278 3 280.5847309 89503 303512130 511933 a-Alanine, conf. II
165640.4162 15.7105 -5.2833 3 303.5188321 89503 303532231 532034 a-Alanine, conf. II
165687.0313 7.9868 -5.2005 3 423.0677405 89503 303671255 671156 a-Alanine, conf. II
165687.0313 7.9868 -4.6333 3 423.0677405 89503 303671255 671256 a-Alanine, conf. II
165687.0313 7.9868 -4.6333 3 423.0677405 89503 303671355 671156 a-Alanine, conf. II
165687.0313 7.9868 -5.2005 3 423.0677405 89503 303671355 671256 a-Alanine, conf. II
165782.7380 7.5970 -5.3360 3 597.1486429 89503 303714130 714031 a-Alanine, conf. II
165782.7380 7.5970 -5.3360 3 597.1486429 89503 303714131 714032 a-Alanine, conf. II
165841.0854109.0494 -5.4303 3 611.4437453 89503 303753244 753045 a-Alanine, conf. II
165948.7549 6.9719 -5.1972 3 453.7955363 89503 303604020 603921 a-Alanine, conf. II
165948.7549 6.9719 -5.1972 3 453.7955363 89503 303604021 603922 a-Alanine, conf. II
166033.0716 0.1295 -3.4354 3 97.4384177 89503 303291713 281712 a-Alanine, conf. II
166033.3507 0.1295 -3.4354 3 97.4384177 89503 303291712 281711 a-Alanine, conf. II
166047.0630 0.5964 -3.1852 3 96.8117213 89503 30335 134 34 133 a-Alanine, conf. II
166047.0630 0.5964 -4.2997 3 96.8117213 89503 30335 134 34 233 a-Alanine, conf. II
166047.0630 0.5964 -4.2997 3 96.8117213 89503 30335 234 34 133 a-Alanine, conf. II
166047.0630 0.5964 -3.1852 3 96.8117213 89503 30335 234 34 233 a-Alanine, conf. II
166113.2219 1.6062 -5.2869 3 537.6568447 89503 303741757 741658 a-Alanine, conf. II
166113.2219 1.6062 -4.7531 3 537.6568447 89503 303741757 741758 a-Alanine, conf. II
166113.2219 1.6062 -4.7531 3 537.6568447 89503 303741857 741658 a-Alanine, conf. II
166113.2219 1.6062 -5.2869 3 537.6568447 89503 303741857 741758 a-Alanine, conf. II
166116.1651 36.8957 -5.0991 3 756.7587519 89503 303862561 862562 a-Alanine, conf. II
166116.1706 36.8956 -5.0991 3 756.7587519 89503 303862661 862462 a-Alanine, conf. II
166195.5021 11.9749 -5.3801 3 258.5271297 89503 303492029 491832 a-Alanine, conf. II
166198.6310 99.4210 -5.4731 3 959.9252579 89503 303963165 963166 a-Alanine, conf. II
166199.8053 99.3979 -5.4731 3 959.9252579 89503 303963265 963066 a-Alanine, conf. II
166266.2060 0.0999 -4.9887 3 31.6469111 89503 30318 811 17 612 a-Alanine, conf. II
166271.0110 8.9847 -5.1662 3 366.0352351 89503 303582533 582336 a-Alanine, conf. II
166284.8866 12.4565 -5.3567 3 274.3994345 89503 30357 453 57 354 a-Alanine, conf. II
166284.8866 12.4565 -4.7417 3 274.3994345 89503 30357 453 57 454 a-Alanine, conf. II
166284.8866 12.4565 -4.7417 3 274.3994345 89503 30357 553 57 354 a-Alanine, conf. II
166284.8866 12.4565 -5.3567 3 274.3994345 89503 30357 553 57 454 a-Alanine, conf. II
166295.7414 7.0219 -5.1916 3 442.4325357 89503 303594019 593920 a-Alanine, conf. II
166295.7414 7.0219 -5.1916 3 442.4325357 89503 303594020 593921 a-Alanine, conf. II
166325.8867 0.1607 -4.4034 3 95.2879201 89503 30333 429 32 528 a-Alanine, conf. II
166325.8867 0.1607 -3.2285 3 95.2879201 89503 30333 529 32 528 a-Alanine, conf. II
166325.8868 0.1607 -3.2285 3 95.2879201 89503 30333 429 32 428 a-Alanine, conf. II
166325.8868 0.1607 -4.4034 3 95.2879201 89503 30333 529 32 428 a-Alanine, conf. II
166327.0112 0.1920 -4.6642 3 46.2154123 89503 3032013 8 1912 7 a-Alanine, conf. II
166328.3991 0.1012 -4.8412 3 51.2103135 89503 303221112 211011 a-Alanine, conf. II
166328.8409 0.1920 -4.6642 3 46.2154123 89503 3032013 7 1912 8 a-Alanine, conf. II
166337.0464 11.4359 -5.2092 3 345.7813375 89503 30362 854 62 755 a-Alanine, conf. II
166337.0464 11.4359 -4.6170 3 345.7813375 89503 30362 854 62 855 a-Alanine, conf. II
166337.0464 11.4359 -4.6170 3 345.7813375 89503 30362 954 62 755 a-Alanine, conf. II
166337.0464 11.4359 -5.2092 3 345.7813375 89503 30362 954 62 855 a-Alanine, conf. II
166352.6994 7.5146 -5.3186 3 583.6316423 89503 303704129 704030 a-Alanine, conf. II
166352.6994 7.5146 -5.3186 3 583.6316423 89503 303704130 704031 a-Alanine, conf. II
166375.3219 16.8397 -5.2479 3 327.3282333 89503 303552332 552135 a-Alanine, conf. II
166392.7492 9.4392 -5.4775 3 702.7424471 89503 303784236 784137 a-Alanine, conf. II
166392.7494 9.4392 -5.4775 3 702.7424471 89503 303784237 784138 a-Alanine, conf. II
166411.9521 1.6763 -5.4910 3 125.6812195 89503 303322112 321913 a-Alanine, conf. II
166412.0119 1.6763 -5.4910 3 125.6812195 89503 303322111 321914 a-Alanine, conf. II
166448.2800 1.3691 -5.4397 3 174.1272243 89503 303401822 391921 a-Alanine, conf. II
166449.4270 1.7974 -5.2136 3 184.3624243 89503 303402219 402020 a-Alanine, conf. II
166481.4502 1.7914 -5.2134 3 184.3613243 89503 303402218 402021 a-Alanine, conf. II
166489.8540 0.0400 -3.2999 3 80.6676171 -89503 303281018 271017 a-Alanine, conf. II
166491.0439 0.1394 -4.9285 3 34.9808117 89503 30319 712 18 513 a-Alanine, conf. II
166524.4930 6.8960 -5.3440 3 589.3958465 89503 303771958 771859 a-Alanine, conf. II
166524.4930 6.8960 -4.8242 3 589.3958465 89503 303771958 771959 a-Alanine, conf. II
166524.4930 6.8960 -4.8242 3 589.3958465 89503 303772058 771859 a-Alanine, conf. II
166524.4930 6.8960 -5.3440 3 589.3958465 89503 303772058 771959 a-Alanine, conf. II
166553.0964 24.3368 -5.4876 3 698.9626501 89503 303832360 832261 a-Alanine, conf. II
166553.0964 24.3368 -4.9977 3 698.9626501 89503 303832360 832361 a-Alanine, conf. II
166553.0969 24.3368 -4.9977 3 698.9626501 89503 303832460 832261 a-Alanine, conf. II
166553.0969 24.3368 -5.4876 3 698.9626501 89503 303832460 832361 a-Alanine, conf. II
166559.5920 62.6994 -5.2751 3 855.6154549 89503 303912863 912864 a-Alanine, conf. II
166559.6797 62.6981 -5.2751 3 855.6154549 89503 303912963 912764 a-Alanine, conf. II
166623.9482 7.0767 -5.1874 3 431.2650351 89503 303584018 583919 a-Alanine, conf. II
166623.9482 7.0767 -5.1874 3 431.2650351 89503 303584019 583920 a-Alanine, conf. II
166645.8786 0.1014 -3.4023 3 95.1776177 89503 303291614 281613 a-Alanine, conf. II
166649.7540 0.1015 -3.4023 3 95.1777177 89503 303291613 281612 a-Alanine, conf. II
166665.5189 5.5400 -5.2270 3 469.9923423 89503 303701456 701357 a-Alanine, conf. II
166665.5189 5.5400 -4.6724 3 469.9923423 89503 303701456 701457 a-Alanine, conf. II
166665.5189 5.5400 -4.6724 3 469.9923423 89503 303701556 701357 a-Alanine, conf. II
166665.5189 5.5400 -5.2270 3 469.9923423 89503 303701556 701457 a-Alanine, conf. II
166679.2215 14.4817 -5.4112 3 643.1695483 89503 303802159 802060 a-Alanine, conf. II
166679.2215 14.4817 -4.9059 3 643.1695483 89503 303802159 802160 a-Alanine, conf. II
166679.2215 14.4817 -4.9059 3 643.1695483 89503 303802259 802060 a-Alanine, conf. II
166679.2215 14.4817 -5.4112 3 643.1695483 89503 303802259 802160 a-Alanine, conf. II
166720.5780 9.4014 -5.1968 3 406.0192399 89503 303661155 661056 a-Alanine, conf. II
166720.5780 9.4014 -4.6228 3 406.0192399 89503 303661155 661156 a-Alanine, conf. II
166720.5780 9.4014 -4.6228 3 406.0192399 89503 303661255 661056 a-Alanine, conf. II
166720.5780 9.4014 -5.1968 3 406.0192399 89503 303661255 661156 a-Alanine, conf. II
166764.3556 0.0548 -4.5463 3 91.9070189 89503 30331 724 30 823 a-Alanine, conf. II
166764.9621 0.0548 -3.2680 3 91.9070189 89503 30331 824 30 823 a-Alanine, conf. II
166765.9710 0.0548 -3.2680 3 91.9070189 89503 30331 724 30 723 a-Alanine, conf. II
166766.5776 0.0548 -4.5463 3 91.9070189 89503 30331 824 30 723 a-Alanine, conf. II
166891.5791 0.5344 -4.4822 3 43.9658105 89503 3031717 0 1616 1 a-Alanine, conf. II
166891.5791 0.5344 -4.4822 3 43.9658105 89503 3031717 1 1616 0 a-Alanine, conf. II
166893.7987 7.4576 -5.3022 3 570.3135417 89503 303694128 694029 a-Alanine, conf. II
166893.7987 7.4576 -5.3022 3 570.3135417 89503 303694129 694030 a-Alanine, conf. II
166934.2288 7.1356 -5.1848 3 420.2926345 89503 303574017 573918 a-Alanine, conf. II
166934.2288 7.1356 -5.1848 3 420.2926345 89503 303574018 573919 a-Alanine, conf. II
166971.3592 12.7474 -5.4459 3 259.7153339 89503 30356 353 56 254 a-Alanine, conf. II
166971.3592 12.7474 -4.8254 3 259.7153339 89503 30356 353 56 354 a-Alanine, conf. II
166971.3592 12.7474 -4.8254 3 259.7153339 89503 30356 453 56 254 a-Alanine, conf. II
166971.3592 12.7474 -5.4459 3 259.7153339 89503 30356 453 56 354 a-Alanine, conf. II
166972.4820 20.9632 -5.1816 3 395.1998363 89503 303602734 602535 a-Alanine, conf. II
166975.1403 0.4130 -5.4528 3 162.1798237 89503 303391624 381721 a-Alanine, conf. II
167096.7718 83.2147 -5.3694 3 564.4337435 89503 303723142 722943 a-Alanine, conf. II
167135.5418 9.0975 -5.4544 3 687.8466465 89503 303774235 774136 a-Alanine, conf. II
167135.5418 9.0975 -5.4544 3 687.8466465 89503 303774236 774137 a-Alanine, conf. II
167145.4573 9.7768 -5.4384 3 237.3473285 89503 303471928 471731 a-Alanine, conf. II
167181.4021 12.2006 -5.2286 3 329.9036369 89503 30361 754 61 655 a-Alanine, conf. II
167181.4021 12.2006 -4.6304 3 329.9036369 89503 30361 754 61 755 a-Alanine, conf. II
167181.4021 12.2006 -4.6304 3 329.9036369 89503 30361 854 61 655 a-Alanine, conf. II
167181.4021 12.2006 -5.2286 3 329.9036369 89503 30361 854 61 755 a-Alanine, conf. II
167227.3934 7.1979 -5.1840 3 409.5149339 89503 303564016 563917 a-Alanine, conf. II
167227.3934 7.1979 -5.1840 3 409.5149339 89503 303564017 563918 a-Alanine, conf. II
167229.2385 0.1426 -4.7313 3 48.4730129 89503 303211210 2011 9 a-Alanine, conf. II
167253.0154 2.9762 -5.1129 3 332.4958333 89503 303552530 552333 a-Alanine, conf. II
167329.4373 0.1432 -4.7309 3 48.4703129 89503 3032112 9 201110 a-Alanine, conf. II
167337.2494 0.1408 -4.7390 3 39.6662123 89503 30320 812 19 613 a-Alanine, conf. II
167395.1877 0.0181 -3.2997 3 86.4315177 89503 303291119 281118 a-Alanine, conf. II
167407.4916 7.4221 -5.2867 3 557.1937411 89503 303684127 684028 a-Alanine, conf. II
167407.4916 7.4221 -5.2867 3 557.1937411 89503 303684128 684029 a-Alanine, conf. II
167423.1219 0.0752 -3.3715 3 93.0915177 89503 303291515 281514 a-Alanine, conf. II
167434.5414 2.1587 -5.2674 3 518.9867441 89503 303731657 731558 a-Alanine, conf. II
167434.5414 2.1587 -4.7259 3 518.9867441 89503 303731657 731658 a-Alanine, conf. II
167434.5414 2.1587 -4.7259 3 518.9867441 89503 303731757 731558 a-Alanine, conf. II
167434.5414 2.1587 -5.2674 3 518.9867441 89503 303731757 731658 a-Alanine, conf. II
167465.6805 0.0764 -3.3712 3 93.0923177 89503 303291514 281513 a-Alanine, conf. II
167482.7964 0.9020 -3.1623 3 98.7516219 89503 30336 036 35 035 a-Alanine, conf. II
167482.7964 0.9020 -4.2616 3 98.7516219 89503 30336 036 35 135 a-Alanine, conf. II
167482.7964 0.9020 -4.2616 3 98.7516219 89503 30336 136 35 035 a-Alanine, conf. II
167482.7964 0.9020 -3.1623 3 98.7516219 89503 30336 136 35 135 a-Alanine, conf. II
167494.9006 44.7259 -5.1594 3 794.5109531 89503 303882662 882663 a-Alanine, conf. II
167494.9111 44.7257 -5.1594 3 794.5109531 89503 303882762 882563 a-Alanine, conf. II
167504.2115 7.2629 -5.1850 3 398.9317333 89503 303554015 553916 a-Alanine, conf. II
167504.2115 7.2629 -5.1850 3 398.9317333 89503 303554016 553917 a-Alanine, conf. II
167521.2316 0.0400 -3.3136 3 82.6415171 89503 303281216 271215 a-Alanine, conf. II
167623.0853 12.9484 -4.9609 3 245.2682333 89503 30355 253 55 254 a-Alanine, conf. II
167623.0853 12.9484 -4.9609 3 245.2682333 89503 30355 353 55 154 a-Alanine, conf. II
167702.3214 10.6540 -5.1973 3 389.1965393 89503 303651055 65 956 a-Alanine, conf. II
167702.3214 10.6540 -4.6168 3 389.1965393 89503 303651055 651056 a-Alanine, conf. II
167702.3214 10.6540 -4.6168 3 389.1965393 89503 303651155 65 956 a-Alanine, conf. II
167702.3214 10.6540 -5.1973 3 389.1965393 89503 303651155 651056 a-Alanine, conf. II
167724.2207 74.0231 -5.3431 3 895.5537561 89503 303932964 932965 a-Alanine, conf. II
167724.3825 74.0204 -5.3431 3 895.5537561 89503 303933064 932865 a-Alanine, conf. II
167738.7376 2.3385 -5.1382 3 228.6191273 89503 303452323 452124 a-Alanine, conf. II
167763.4624 0.2757 -3.2056 3 97.8274207 89503 30334 331 33 330 a-Alanine, conf. II
167763.4624 0.2757 -4.3566 3 97.8274207 89503 30334 331 33 430 a-Alanine, conf. II
167763.4624 0.2757 -4.3566 3 97.8274207 89503 30334 431 33 330 a-Alanine, conf. II
167763.4624 0.2757 -3.2056 3 97.8274207 89503 30334 431 33 430 a-Alanine, conf. II
167765.4159 7.3302 -5.1881 3 388.5426327 89503 303544014 543915 a-Alanine, conf. II
167765.4159 7.3302 -5.1881 3 388.5426327 89503 303544015 543916 a-Alanine, conf. II
167804.4602 7.3981 -5.2159 3 452.2383417 89503 303691356 691257 a-Alanine, conf. II
167804.4602 7.3981 -4.6542 3 452.2383417 89503 303691356 691357 a-Alanine, conf. II
167804.4602 7.3981 -4.6542 3 452.2383417 89503 303691456 691257 a-Alanine, conf. II
167804.4602 7.3981 -5.2159 3 452.2383417 89503 303691456 691357 a-Alanine, conf. II
167841.0068 8.8193 -5.4322 3 673.1519459 89503 303764234 764135 a-Alanine, conf. II
167841.0068 8.8193 -5.4322 3 673.1519459 89503 303764235 764136 a-Alanine, conf. II
167869.8394 2.9704 -5.1050 3 277.9865303 89503 303502426 502229 a-Alanine, conf. II
167895.1323 7.4048 -5.2723 3 544.2720405 89503 303674126 674027 a-Alanine, conf. II
167895.1323 7.4048 -5.2723 3 544.2720405 89503 303674127 674028 a-Alanine, conf. II
167909.6267 30.9202 -5.2184 3 434.6778381 89503 303632836 632637 a-Alanine, conf. II
167916.1909 61.6563 -5.3132 3 519.2990417 89503 303693040 692841 a-Alanine, conf. II
167930.5633 17.2611 -5.2223 3 352.0123345 89503 303572433 572236 a-Alanine, conf. II
167978.9471 3.6163 -5.3198 3 570.0376459 89503 303761858 761759 a-Alanine, conf. II
167978.9471 3.6163 -4.7918 3 570.0376459 89503 303761858 761859 a-Alanine, conf. II
167978.9471 3.6163 -4.7918 3 570.0376459 89503 303761958 761759 a-Alanine, conf. II
167978.9471 3.6163 -5.3198 3 570.0376459 89503 303761958 761859 a-Alanine, conf. II
167983.6871 12.8427 -5.2576 3 314.2577363 89503 30360 654 60 555 a-Alanine, conf. II
167983.6871 12.8427 -4.6535 3 314.2577363 89503 30360 654 60 655 a-Alanine, conf. II
167983.6871 12.8427 -4.6535 3 314.2577363 89503 30360 754 60 555 a-Alanine, conf. II
167983.6871 12.8427 -5.2576 3 314.2577363 89503 30360 754 60 655 a-Alanine, conf. II
168005.8216 5.4374 -5.3124 3 222.6595279 89503 303461630 451827 a-Alanine, conf. II
168011.7052 7.3991 -5.1935 3 378.3474321 89503 303534013 533914 a-Alanine, conf. II
168011.7052 7.3991 -5.1935 3 378.3474321 89503 303534014 533915 a-Alanine, conf. II
168067.8676 30.4010 -5.0530 3 735.3836513 89503 303852461 852462 a-Alanine, conf. II
168067.8688 30.4010 -5.0530 3 735.3836513 89503 303852561 852362 a-Alanine, conf. II
168068.4876 2.2280 -5.1366 3 228.6082273 89503 303452322 452125 a-Alanine, conf. II
168103.3761 0.0757 -4.4805 3 95.0856195 89503 30332 626 31 725 a-Alanine, conf. II
168103.3875 0.0757 -3.2465 3 95.0856195 89503 30332 726 31 725 a-Alanine, conf. II
168103.4086 0.0757 -3.2465 3 95.0856195 89503 30332 626 31 625 a-Alanine, conf. II
168103.4200 0.0757 -4.4805 3 95.0856195 89503 30332 726 31 625 a-Alanine, conf. II
168156.2162 1.7944 -5.2405 3 176.6446237 89503 303392218 392019 a-Alanine, conf. II
168168.2369 1.7923 -5.2405 3 176.6442237 89503 303392217 392020 a-Alanine, conf. II
168204.4342 0.4221 -4.5168 3 44.9414111 89503 3031816 2 1715 3 a-Alanine, conf. II
168204.4342 0.4221 -4.5168 3 44.9414111 89503 3031816 3 1715 2 a-Alanine, conf. II
168209.9495 44.3244 -5.2626 3 476.0454399 89503 303662938 662739 a-Alanine, conf. II
168241.7785 13.0657 -5.2220 3 231.0593327 89503 30354 153 54 154 a-Alanine, conf. II
168241.7785 13.0657 -5.2220 3 231.0593327 89503 30354 253 54 054 a-Alanine, conf. II
168243.7464 7.4694 -5.2015 3 368.3458315 89503 303524012 523913 a-Alanine, conf. II
168243.7464 7.4694 -5.2015 3 368.3458315 89503 303524013 523914 a-Alanine, conf. II
168265.6189 7.6217 -5.5008 3 217.0467273 89503 303451827 451630 a-Alanine, conf. II
168280.9217 10.2554 -5.3827 3 623.1308477 89503 303792059 791960 a-Alanine, conf. II
168280.9217 10.2554 -4.8688 3 623.1308477 89503 303792059 792060 a-Alanine, conf. II
168280.9218 10.2554 -4.8688 3 623.1308477 89503 303792159 791960 a-Alanine, conf. II
168280.9218 10.2554 -5.3827 3 623.1308477 89503 303792159 792060 a-Alanine, conf. II
168319.1847 19.0776 -5.4552 3 678.2514495 89503 303822260 822161 a-Alanine, conf. II
168319.1847 19.0776 -4.9560 3 678.2514495 89503 303822260 822261 a-Alanine, conf. II
168319.1848 19.0776 -4.9560 3 678.2514495 89503 303822360 822161 a-Alanine, conf. II
168319.1848 19.0776 -5.4552 3 678.2514495 89503 303822360 822261 a-Alanine, conf. II
168357.9843 7.4031 -5.2590 3 531.5478399 89503 303664125 664026 a-Alanine, conf. II
168357.9843 7.4031 -5.2590 3 531.5478399 89503 303664126 664027 a-Alanine, conf. II
168366.7562 0.0511 -3.3426 3 91.1902177 89503 303291416 281415 a-Alanine, conf. II
168368.2519 0.1088 -4.9596 3 32.6927111 89503 30318 910 17 711 a-Alanine, conf. II
168462.1773 7.5407 -5.2124 3 358.5375309 89503 303514011 513912 a-Alanine, conf. II
168462.1773 7.5407 -5.2124 3 358.5375309 89503 303514012 513913 a-Alanine, conf. II
168511.2349 8.5952 -5.4109 3 658.6579453 89503 303754233 754134 a-Alanine, conf. II
168511.2349 8.5952 -5.4109 3 658.6579453 89503 303754234 754135 a-Alanine, conf. II
168635.3148 11.7531 -5.2029 3 372.6011387 89503 30364 955 64 856 a-Alanine, conf. II
168635.3148 11.7531 -4.6160 3 372.6011387 89503 30364 955 64 956 a-Alanine, conf. II
168635.3148 11.7531 -4.6160 3 372.6011387 89503 303641055 64 856 a-Alanine, conf. II
168635.3148 11.7531 -5.2029 3 372.6011387 89503 303641055 64 956 a-Alanine, conf. II
168667.6087 7.6127 -5.2267 3 348.9221303 89503 303504010 503911 a-Alanine, conf. II
168667.6087 7.6127 -5.2267 3 348.9221303 89503 303504011 503912 a-Alanine, conf. II
168687.9261 4.3762 -5.2504 3 500.5340435 89503 303721557 721458 a-Alanine, conf. II
168687.9261 4.3762 -4.7013 3 500.5340435 89503 303721557 721558 a-Alanine, conf. II
168687.9261 4.3762 -4.7013 3 500.5340435 89503 303721657 721458 a-Alanine, conf. II
168687.9261 4.3762 -5.2504 3 500.5340435 89503 303721657 721558 a-Alanine, conf. II
168721.7890 0.0573 -3.3408 3 91.1982177 89503 303291415 281414 a-Alanine, conf. II
168745.1888 0.0337 -4.6857 3 90.3455183 89503 30330 921 291020 a-Alanine, conf. II
168746.1368 13.3697 -5.2994 3 298.8448357 89503 30359 554 59 455 a-Alanine, conf. II
168746.1368 13.3697 -4.6896 3 298.8448357 89503 30359 554 59 555 a-Alanine, conf. II
168746.1368 13.3697 -4.6896 3 298.8448357 89503 30359 654 59 455 a-Alanine, conf. II
168746.1368 13.3697 -5.2994 3 298.8448357 89503 30359 654 59 555 a-Alanine, conf. II
168775.8152 0.1207 -5.0065 3 49.9172135 89503 303221012 21 913 a-Alanine, conf. II
168797.2291 7.4147 -5.2467 3 519.0208393 89503 303654124 654025 a-Alanine, conf. II
168797.2291 7.4147 -5.2467 3 519.0208393 89503 303654125 654026 a-Alanine, conf. II
168814.3582 53.6755 -5.2225 3 833.1308543 89503 303902763 902764 a-Alanine, conf. II
168814.3784 53.6752 -5.2225 3 833.1308543 89503 303902863 902664 a-Alanine, conf. II
168822.7987 86.8493 -5.4138 3 936.3530573 89503 303953065 953066 a-Alanine, conf. II
168823.0936 86.8438 -5.4138 3 936.3530573 89503 303953165 952966 a-Alanine, conf. II
168843.6157 0.1135 -4.8339 3 51.1466135 89503 303221111 211012 a-Alanine, conf. II
168860.6261 7.6850 -5.2449 3 339.4996297 89503 3034940 9 493910 a-Alanine, conf. II
168860.6261 7.6850 -5.2449 3 339.4996297 89503 303494010 493911 a-Alanine, conf. II
168882.2816 0.0417 -5.4830 3 24.8469105 89503 30317 413 16 214 a-Alanine, conf. II
168886.2834 9.0752 -5.2081 3 434.7070411 89503 303681256 681157 a-Alanine, conf. II
168886.2834 9.0752 -4.6395 3 434.7070411 89503 303681256 681257 a-Alanine, conf. II
168886.2834 9.0752 -4.6395 3 434.7070411 89503 303681356 681157 a-Alanine, conf. II
168886.2834 9.0752 -5.2081 3 434.7070411 89503 303681356 681257 a-Alanine, conf. II
168887.0028 1.0267 -5.3450 3 138.4469219 89503 303361521 351620 a-Alanine, conf. II
168955.6339 0.6090 -4.4994 3 142.1869183 89503 3033029 1 2929 0 a-Alanine, conf. II
168955.6339 0.6090 -4.4994 3 142.1869183 89503 3033029 2 2929 1 a-Alanine, conf. II
168976.5493 0.0317 -3.2791 3 90.3455183 89503 303301021 291020 a-Alanine, conf. II
168996.8740 0.0408 -5.4826 3 24.8469105 89503 30317 513 16 314 a-Alanine, conf. II
169019.0211 0.1312 -5.0935 3 30.4818105 89503 3031710 7 16 8 8 a-Alanine, conf. II
169041.7914 7.7575 -5.2678 3 330.2696291 89503 3034840 8 4839 9 a-Alanine, conf. II
169041.7914 7.7575 -5.2678 3 330.2696291 89503 3034840 9 483910 a-Alanine, conf. II
169066.9656 0.5603 -4.1967 3 138.0920183 89503 3033028 2 2928 1 a-Alanine, conf. II
169066.9656 0.5603 -4.1967 3 138.0920183 89503 3033028 3 2928 2 a-Alanine, conf. II
169095.8652 3.0780 -5.1942 3 206.5273267 89503 303441727 431924 a-Alanine, conf. II
169111.6600 0.0400 -3.3015 3 87.9262177 -89503 303291218 281217 a-Alanine, conf. II
169148.1438 8.4173 -5.3905 3 644.3641447 89503 303744232 744133 a-Alanine, conf. II
169148.1438 8.4173 -5.3905 3 644.3641447 89503 303744233 744134 a-Alanine, conf. II
169191.4317 0.5132 -4.0193 3 134.1445183 89503 3033027 3 2927 2 a-Alanine, conf. II
169191.4317 0.5132 -4.0193 3 134.1445183 89503 3033027 4 2927 3 a-Alanine, conf. II
169197.7145 6.5171 -5.1180 3 311.2379321 89503 303532529 532330 a-Alanine, conf. II
169199.9450 0.0304 -3.3174 3 89.4787177 89503 303291317 281316 a-Alanine, conf. II
169204.7862 0.4524 -3.1830 3 100.1808213 89503 30335 233 34 232 a-Alanine, conf. II
169204.7862 0.4524 -4.3139 3 100.1808213 89503 30335 233 34 332 a-Alanine, conf. II
169204.7862 0.4524 -4.3139 3 100.1808213 89503 30335 333 34 232 a-Alanine, conf. II
169204.7862 0.4524 -3.1830 3 100.1808213 89503 30335 333 34 332 a-Alanine, conf. II
169211.6447 7.8300 -5.2963 3 321.2318285 89503 3034740 7 4739 8 a-Alanine, conf. II
169211.6447 7.8300 -5.2963 3 321.2318285 89503 3034740 8 4739 9 a-Alanine, conf. II
169213.9749 7.4374 -5.2356 3 506.6906387 89503 303644123 644024 a-Alanine, conf. II
169213.9749 7.4374 -5.2356 3 506.6906387 89503 303644124 644025 a-Alanine, conf. II
169259.5164 0.0305 -3.2775 3 90.3283183 89503 30330 921 29 920 a-Alanine, conf. II
169262.4260 0.0908 -5.0973 3 30.4840111 89503 30318 712 17 513 a-Alanine, conf. II
169331.1870 0.4678 -3.8935 3 130.3449183 89503 3033026 4 2926 3 a-Alanine, conf. II
169331.1870 0.4678 -3.8935 3 130.3449183 89503 3033026 5 2926 4 a-Alanine, conf. II
169354.0152 1.4157 -5.3998 3 164.2349237 89503 303391722 381821 a-Alanine, conf. II
169357.3163 1.3724 -5.2977 3 550.8930453 89503 303751758 751659 a-Alanine, conf. II
169357.3163 1.3724 -4.7618 3 550.8930453 89503 303751758 751759 a-Alanine, conf. II
169357.3163 1.3724 -4.7618 3 550.8930453 89503 303751858 751659 a-Alanine, conf. II
169357.3163 1.3724 -5.2977 3 550.8930453 89503 303751858 751759 a-Alanine, conf. II
169370.7052 7.9022 -5.3321 3 312.3860279 89503 3034640 6 4639 7 a-Alanine, conf. II
169370.7052 7.9022 -5.3321 3 312.3860279 89503 3034640 7 4639 8 a-Alanine, conf. II
169470.8118 13.7884 -5.3596 3 283.6663351 89503 30358 454 58 355 a-Alanine, conf. II
169470.8118 13.7884 -4.7441 3 283.6663351 89503 30358 454 58 455 a-Alanine, conf. II
169470.8118 13.7884 -4.7441 3 283.6663351 89503 30358 554 58 355 a-Alanine, conf. II
169470.8118 13.7884 -5.3596 3 283.6663351 89503 30358 554 58 455 a-Alanine, conf. II
169488.8712 0.4240 -3.7960 3 126.6939183 89503 3033025 5 2925 4 a-Alanine, conf. II
169488.8712 0.4240 -3.7960 3 126.6939183 89503 3033025 6 2925 5 a-Alanine, conf. II
169490.8769 0.0314 -4.6813 3 90.3283183 89503 303301021 29 920 a-Alanine, conf. II
169496.8292 0.3273 -4.5550 3 46.2697117 89503 3031915 5 1814 4 a-Alanine, conf. II
169496.8296 0.3273 -4.5550 3 46.2697117 89503 3031915 4 1814 5 a-Alanine, conf. II
169500.8106 0.1172 -4.4242 3 98.0587201 89503 30333 528 32 627 a-Alanine, conf. II
169500.8108 0.1172 -3.2246 3 98.0587201 89503 30333 628 32 627 a-Alanine, conf. II
169500.8111 0.1172 -3.2246 3 98.0587201 89503 30333 528 32 527 a-Alanine, conf. II
169500.8112 0.1172 -4.4242 3 98.0587201 89503 30333 628 32 527 a-Alanine, conf. II
169519.4731 7.9740 -5.3770 3 303.7321273 89503 3034540 5 4539 6 a-Alanine, conf. II
169519.4731 7.9740 -5.3770 3 303.7321273 89503 3034540 6 4539 7 a-Alanine, conf. II
169522.3338 12.7069 -5.2144 3 356.2347381 89503 30363 855 63 756 a-Alanine, conf. II
169522.3338 12.7069 -4.6214 3 356.2347381 89503 30363 855 63 856 a-Alanine, conf. II
169522.3338 12.7069 -4.6214 3 356.2347381 89503 30363 955 63 756 a-Alanine, conf. II
169522.3338 12.7069 -5.2144 3 356.2347381 89503 30363 955 63 856 a-Alanine, conf. II
169527.1959 37.3925 -5.1112 3 772.6764525 89503 303872562 872563 a-Alanine, conf. II
169527.1982 37.3925 -5.1112 3 772.6764525 89503 303872662 872463 a-Alanine, conf. II
169553.7002 3.5018 -5.1139 3 268.2565297 89503 303492426 492227 a-Alanine, conf. II
169579.7727 0.2121 -5.3844 3 25.6422 93 89503 3031511 4 14 9 5 a-Alanine, conf. II
169591.2924 0.2121 -5.3844 3 25.6419 93 89503 3031511 5 14 9 6 a-Alanine, conf. II
169609.2628 7.4698 -5.2257 3 494.5569381 89503 303634122 634023 a-Alanine, conf. II
169609.2628 7.4698 -5.2257 3 494.5569381 89503 303634123 634024 a-Alanine, conf. II
169658.4300 8.0453 -5.4345 3 295.2696267 89503 3034440 4 4439 5 a-Alanine, conf. II
169658.4300 8.0453 -5.4345 3 295.2696267 89503 3034440 5 4439 6 a-Alanine, conf. II
169667.7561 0.3818 -3.7166 3 123.1922183 89503 3033024 6 2924 5 a-Alanine, conf. II
169667.7561 0.3818 -3.7166 3 123.1922183 89503 3033024 7 2924 6 a-Alanine, conf. II
169681.8313 1.8057 -5.2712 3 169.1356231 89503 303382217 382018 a-Alanine, conf. II
169686.1432 1.8050 -5.2712 3 169.1354231 89503 303382216 382019 a-Alanine, conf. II
169725.8981 0.0289 -3.2806 3 81.5919171 89503 303281117 271116 a-Alanine, conf. II
169753.4984 8.2788 -5.3710 3 630.2699441 89503 303734231 734132 a-Alanine, conf. II
169753.4984 8.2788 -5.3710 3 630.2699441 89503 303734232 734133 a-Alanine, conf. II
169796.7327 6.4171 -5.3561 3 603.3016471 89503 303781959 781860 a-Alanine, conf. II
169796.7327 6.4171 -4.8339 3 603.3016471 89503 303781959 781960 a-Alanine, conf. II
169796.7327 6.4171 -4.8339 3 603.3016471 89503 303782059 781860 a-Alanine, conf. II
169796.7327 6.4171 -5.3561 3 603.3016471 89503 303782059 781960 a-Alanine, conf. II
169799.1792 3.5166 -5.1063 3 321.7056327 89503 303542529 542332 a-Alanine, conf. II
169814.6033 0.0996 -4.8622 3 55.5470141 89503 303231113 221012 a-Alanine, conf. II
169824.5551 0.4851 -5.2042 3 114.9063201 89503 303331320 321419 a-Alanine, conf. II
169853.3540101.3404 -5.4872 3 978.0112585 89503 303973166 973167 a-Alanine, conf. II
169853.8859101.3294 -5.4872 3 978.0112585 89503 303973266 973067 a-Alanine, conf. II
169871.9510 0.3413 -3.6497 3 119.8406183 89503 3033023 7 2923 6 a-Alanine, conf. II
169871.9510 0.3413 -3.6497 3 119.8406183 89503 3033023 8 2923 7 a-Alanine, conf. II
169878.0302 6.5264 -5.2360 3 482.3005429 89503 303711457 711358 a-Alanine, conf. II
169878.0302 6.5264 -4.6798 3 482.3005429 89503 303711457 711458 a-Alanine, conf. II
169878.0302 6.5264 -4.6798 3 482.3005429 89503 303711557 711358 a-Alanine, conf. II
169878.0302 6.5264 -5.2360 3 482.3005429 89503 303711557 711458 a-Alanine, conf. II
169906.7377 24.4420 -5.0092 3 714.2089507 89503 303842361 842362 a-Alanine, conf. II
169906.7379 24.4420 -5.0092 3 714.2089507 89503 303842461 842262 a-Alanine, conf. II
169914.5277 10.5744 -5.2040 3 417.4000405 89503 303671156 671057 a-Alanine, conf. II
169914.5277 10.5744 -4.6287 3 417.4000405 89503 303671156 671157 a-Alanine, conf. II
169914.5277 10.5744 -4.6287 3 417.4000405 89503 303671256 671057 a-Alanine, conf. II
169914.5277 10.5744 -5.2040 3 417.4000405 89503 303671256 671157 a-Alanine, conf. II
169984.0736 7.5102 -5.2170 3 482.6193375 89503 303624121 624022 a-Alanine, conf. II
169984.0736 7.5102 -5.2170 3 482.6193375 89503 303624122 624023 a-Alanine, conf. II
169987.3917 14.2582 -5.4246 3 657.7453489 89503 303812160 812061 a-Alanine, conf. II
169987.3917 14.2582 -4.9166 3 657.7453489 89503 303812160 812161 a-Alanine, conf. II
169987.3917 14.2582 -4.9166 3 657.7453489 89503 303812260 812061 a-Alanine, conf. II
169987.3917 14.2582 -5.4246 3 657.7453489 89503 303812260 812161 a-Alanine, conf. II
170073.2002 63.8652 -5.2884 3 872.6162555 89503 303922864 922865 a-Alanine, conf. II
170073.2382 63.8646 -5.2884 3 872.6162555 89503 303922964 922765 a-Alanine, conf. II
170085.3491 0.0505 -4.5848 3 94.0280189 89503 30331 823 30 922 a-Alanine, conf. II
170094.2080 0.0505 -3.2609 3 94.0280189 89503 30331 923 30 922 a-Alanine, conf. II
170106.6991 0.3024 -3.5921 3 116.6404183 89503 3033022 8 2922 7 a-Alanine, conf. II
170106.6991 0.3024 -3.5921 3 116.6404183 89503 3033022 9 2922 8 a-Alanine, conf. II
170107.4099 0.0504 -3.2608 3 94.0273189 89503 30331 823 30 822 a-Alanine, conf. II
170116.2688 0.0503 -4.5846 3 94.0273189 89503 30331 923 30 822 a-Alanine, conf. II
170159.6184 14.1058 -5.4483 3 268.7235345 89503 30357 354 57 255 a-Alanine, conf. II
170159.6184 14.1058 -4.8274 3 268.7235345 89503 30357 354 57 355 a-Alanine, conf. II
170159.6184 14.1058 -4.8274 3 268.7235345 89503 30357 454 57 255 a-Alanine, conf. II
170159.6184 14.1058 -5.4483 3 268.7235345 89503 30357 454 57 355 a-Alanine, conf. II
170217.6619 2.2038 -5.1517 3 219.8761267 89503 303442322 442123 a-Alanine, conf. II
170222.0610 0.0400 -3.2801 3 86.2211177 -89503 303291019 281018 a-Alanine, conf. II
170328.9285 8.1739 -5.3524 3 616.3749435 89503 303724230 724131 a-Alanine, conf. II
170328.9285 8.1739 -5.3524 3 616.3749435 89503 303724231 724132 a-Alanine, conf. II
170339.3329 7.5576 -5.2096 3 470.8774369 89503 303614120 614021 a-Alanine, conf. II
170339.3329 7.5576 -5.2096 3 470.8774369 89503 303614121 614022 a-Alanine, conf. II
170346.3728 16.8850 -5.2064 3 377.5704357 89503 303592534 592337 a-Alanine, conf. II
170358.0773 2.1608 -5.1510 3 219.8715267 89503 303442321 442124 a-Alanine, conf. II
170361.8165 0.1370 -5.0907 3 30.4358105 89503 3031710 8 16 8 9 a-Alanine, conf. II
170365.9123 13.5237 -5.2334 3 340.0985375 89503 30362 755 62 656 a-Alanine, conf. II
170365.9123 13.5237 -4.6344 3 340.0985375 89503 30362 755 62 756 a-Alanine, conf. II
170365.9123 13.5237 -4.6344 3 340.0985375 89503 30362 855 62 656 a-Alanine, conf. II
170365.9123 13.5237 -5.2334 3 340.0985375 89503 30362 855 62 756 a-Alanine, conf. II
170378.8172 0.2652 -3.5417 3 113.5929183 89503 3033021 9 2921 8 a-Alanine, conf. II
170378.8172 0.2652 -3.5417 3 113.5929183 89503 303302110 2921 9 a-Alanine, conf. II
170451.1247 0.0495 -4.7869 3 92.0152183 89503 303301020 291119 a-Alanine, conf. II
170593.6533 0.6920 -5.4101 3 171.8481243 89503 303401724 391821 a-Alanine, conf. II
170643.8613 0.7061 -3.1607 3 102.3505219 89503 30336 135 35 134 a-Alanine, conf. II
170643.8613 0.7061 -4.2745 3 102.3505219 89503 30336 135 35 234 a-Alanine, conf. II
170643.8613 0.7061 -4.2745 3 102.3505219 89503 30336 235 35 134 a-Alanine, conf. II
170643.8613 0.7061 -3.1607 3 102.3505219 89503 30336 235 35 234 a-Alanine, conf. II
170665.1683 2.9204 -5.2779 3 531.9640447 89503 303741658 741559 a-Alanine, conf. II
170665.1683 2.9204 -4.7344 3 531.9640447 89503 303741658 741659 a-Alanine, conf. II
170665.1683 2.9204 -4.7344 3 531.9640447 89503 303741758 741559 a-Alanine, conf. II
170665.1683 2.9204 -5.2779 3 531.9640447 89503 303741758 741659 a-Alanine, conf. II
170675.9163 7.6107 -5.2036 3 459.3309363 89503 303604119 604020 a-Alanine, conf. II
170675.9163 7.6107 -5.2036 3 459.3309363 89503 303604120 604021 a-Alanine, conf. II
170697.3764 0.2296 -3.4969 3 110.6999183 89503 303302011 292010 a-Alanine, conf. II
170697.3766 0.2296 -3.4969 3 110.6999183 89503 303302010 2920 9 a-Alanine, conf. II
170704.5335 2.8778 -5.1086 3 268.2188297 89503 303492425 492228 a-Alanine, conf. II
170735.6825 0.2494 -4.5992 3 47.9611123 89503 3032014 7 1913 6 a-Alanine, conf. II
170735.7612 0.2494 -4.5992 3 47.9611123 89503 3032014 6 1913 7 a-Alanine, conf. II
170814.3257 14.3282 -4.9625 3 254.0176339 89503 30356 254 56 255 a-Alanine, conf. II
170814.3257 14.3282 -4.9625 3 254.0176339 89503 30356 354 56 155 a-Alanine, conf. II
170841.3755 3.2286 -5.1433 3 380.2864357 89503 303592633 592436 a-Alanine, conf. II
170875.9438 8.0977 -5.3348 3 602.6786429 89503 303714229 714130 a-Alanine, conf. II
170875.9438 8.0977 -5.3348 3 602.6786429 89503 303714230 714131 a-Alanine, conf. II
170892.3880 11.9035 -5.2041 3 400.3189399 89503 303661056 66 957 a-Alanine, conf. II
170892.3880 11.9035 -4.6224 3 400.3189399 89503 303661056 661057 a-Alanine, conf. II
170892.3880 11.9035 -4.6224 3 400.3189399 89503 303661156 66 957 a-Alanine, conf. II
170892.3880 11.9035 -5.2041 3 400.3189399 89503 303661156 661057 a-Alanine, conf. II
170926.1344 0.1984 -3.2026 3 100.8360207 89503 30334 430 33 429 a-Alanine, conf. II
170926.1344 0.1984 -4.3745 3 100.8360207 89503 30334 430 33 529 a-Alanine, conf. II
170926.1344 0.1984 -4.3745 3 100.8360207 89503 30334 530 33 429 a-Alanine, conf. II
170926.1344 0.1984 -3.2026 3 100.8360207 89503 30334 530 33 529 a-Alanine, conf. II
170930.0505 45.4123 -5.1723 3 810.8389537 89503 303892663 892664 a-Alanine, conf. II
170930.0550 45.4123 -5.1723 3 810.8389537 89503 303892763 892564 a-Alanine, conf. II
170994.6532 7.6687 -5.1992 3 447.9796357 89503 303594118 594019 a-Alanine, conf. II
170994.6532 7.6687 -5.1992 3 447.9796357 89503 303594119 594020 a-Alanine, conf. II
171009.0001 8.4931 -5.2245 3 464.2880423 89503 303701357 701258 a-Alanine, conf. II
171009.0001 8.4931 -4.6613 3 464.2880423 89503 303701357 701358 a-Alanine, conf. II
171009.0001 8.4931 -4.6613 3 464.2880423 89503 303701457 701258 a-Alanine, conf. II
171009.0001 8.4931 -5.2245 3 464.2880423 89503 303701457 701358 a-Alanine, conf. II
171051.3148 1.8271 -5.3057 3 161.8334225 89503 303372216 372017 a-Alanine, conf. II
171052.7908 1.8269 -5.3057 3 161.8334225 89503 303372215 372018 a-Alanine, conf. II
171070.5783 7.5707 -5.1658 3 392.0562363 89503 303602634 602437 a-Alanine, conf. II
171074.8038 0.1957 -3.4566 3 107.9639183 89503 303301912 291911 a-Alanine, conf. II
171074.8070 0.1957 -3.4566 3 107.9639183 89503 303301911 291910 a-Alanine, conf. II
171168.3728 14.2116 -5.2620 3 324.1941369 89503 30361 655 61 556 a-Alanine, conf. II
171168.3728 14.2116 -4.6572 3 324.1941369 89503 30361 655 61 656 a-Alanine, conf. II
171168.3728 14.2116 -4.6572 3 324.1941369 89503 30361 755 61 556 a-Alanine, conf. II
171168.3728 14.2116 -5.2620 3 324.1941369 89503 30361 755 61 656 a-Alanine, conf. II
171214.7287 0.0540 -3.3061 3 89.5402177 89503 303291316 281315 a-Alanine, conf. II
171233.4112 3.0412 -5.3316 3 583.6841465 89503 303771859 771760 a-Alanine, conf. II
171233.4112 3.0412 -4.8013 3 583.6841465 89503 303771859 771860 a-Alanine, conf. II
171233.4112 3.0412 -4.8013 3 583.6841465 89503 303771959 771760 a-Alanine, conf. II
171233.4112 3.0412 -5.3316 3 583.6841465 89503 303771959 771860 a-Alanine, conf. II
171269.9703 75.4273 -5.3571 3 912.9648567 89503 303942965 942966 a-Alanine, conf. II
171270.0412 75.4260 -5.3571 3 912.9648567 89503 303943065 942866 a-Alanine, conf. II
171296.3309 7.7307 -5.1963 3 436.8230351 89503 303584117 584018 a-Alanine, conf. II
171296.3309 7.7307 -5.1963 3 436.8230351 89503 303584118 584019 a-Alanine, conf. II
171344.4359 0.0688 -4.5099 3 97.4697195 89503 30332 725 31 824 a-Alanine, conf. II
171344.6601 0.0688 -3.2411 3 97.4697195 89503 30332 825 31 824 a-Alanine, conf. II
171345.0425 0.0688 -3.2411 3 97.4697195 89503 30332 725 31 724 a-Alanine, conf. II
171345.2666 0.0688 -4.5099 3 97.4697195 89503 30332 825 31 724 a-Alanine, conf. II
171395.9466 8.0459 -5.3181 3 589.1806423 89503 303704228 704129 a-Alanine, conf. II
171395.9466 8.0459 -5.3181 3 589.1806423 89503 303704229 704130 a-Alanine, conf. II
171436.5812 14.4619 -5.2233 3 239.5497333 89503 30355 154 55 155 a-Alanine, conf. II
171436.5812 14.4619 -5.2233 3 239.5497333 89503 30355 254 55 055 a-Alanine, conf. II
171441.0696 30.6599 -5.0652 3 751.0401519 89503 303862462 862463 a-Alanine, conf. II
171441.0700 30.6599 -5.0652 3 751.0401519 89503 303862562 862363 a-Alanine, conf. II
171528.7639 0.1636 -3.4201 3 105.3880183 89503 303301813 291812 a-Alanine, conf. II
171528.8232 0.1636 -3.4201 3 105.3880183 89503 303301812 291811 a-Alanine, conf. II
171531.5195 0.1186 -4.5900 3 44.5014129 89503 30321 912 20 713 a-Alanine, conf. II
171566.0522 9.8515 -5.3958 3 637.4467483 89503 303802060 801961 a-Alanine, conf. II
171566.0522 9.8515 -4.8793 3 637.4467483 89503 303802060 802061 a-Alanine, conf. II
171566.0522 9.8515 -4.8793 3 637.4467483 89503 303802160 801961 a-Alanine, conf. II
171566.0522 9.8515 -5.3958 3 637.4467483 89503 303802160 802061 a-Alanine, conf. II
171581.6983 7.7961 -5.1951 3 425.8609345 89503 303574116 574017 a-Alanine, conf. II
171581.6983 7.7961 -5.1951 3 425.8609345 89503 303574117 574018 a-Alanine, conf. II
171643.2540 18.9711 -5.4696 3 693.2372501 89503 303832261 832162 a-Alanine, conf. II
171643.2540 18.9711 -4.9675 3 693.2372501 89503 303832261 832262 a-Alanine, conf. II
171643.2541 18.9711 -4.9675 3 693.2372501 89503 303832361 832162 a-Alanine, conf. II
171643.2541 18.9711 -5.4696 3 693.2372501 89503 303832361 832262 a-Alanine, conf. II
171799.7964 9.6584 -5.4732 3 708.2926471 89503 303784335 784236 a-Alanine, conf. II
171799.7964 9.6584 -5.4732 3 708.2926471 89503 303784336 784237 a-Alanine, conf. II
171822.7623 13.0712 -5.2092 3 383.4651393 89503 30365 956 65 857 a-Alanine, conf. II
171822.7623 13.0712 -4.6213 3 383.4651393 89503 30365 956 65 957 a-Alanine, conf. II
171822.7623 13.0712 -4.6213 3 383.4651393 89503 303651056 65 857 a-Alanine, conf. II
171822.7623 13.0712 -5.2092 3 383.4651393 89503 303651056 65 957 a-Alanine, conf. II
171845.4317 0.1875 -4.6536 3 50.0327129 89503 3032113 9 2012 8 a-Alanine, conf. II
171851.4683 7.8643 -5.1958 3 415.0930339 89503 303564115 564016 a-Alanine, conf. II
171851.4683 7.8643 -5.1958 3 415.0930339 89503 303564116 564017 a-Alanine, conf. II
171852.3561 0.1875 -4.6535 3 50.0325129 89503 3032113 8 2012 9 a-Alanine, conf. II
171860.7339 0.8422 -5.0612 3 196.0866261 89503 303431627 421824 a-Alanine, conf. II
171874.2917 1.0563 -5.4112 3 181.8916249 89503 303411824 401921 a-Alanine, conf. II
171890.2436 8.0150 -5.3024 3 575.8804417 89503 303694227 694128 a-Alanine, conf. II
171890.2436 8.0150 -5.3024 3 575.8804417 89503 303694228 694129 a-Alanine, conf. II
171907.4187 5.3377 -5.2605 3 513.2525441 89503 303731558 731459 a-Alanine, conf. II
171907.4187 5.3377 -4.7097 3 513.2525441 89503 303731558 731559 a-Alanine, conf. II
171907.4187 5.3377 -4.7097 3 513.2525441 89503 303731658 731459 a-Alanine, conf. II
171907.4187 5.3377 -5.2605 3 513.2525441 89503 303731658 731559 a-Alanine, conf. II
171931.8523 14.7781 -5.3034 3 308.5226363 89503 30360 555 60 456 a-Alanine, conf. II
171931.8523 14.7781 -4.6929 3 308.5226363 89503 30360 555 60 556 a-Alanine, conf. II
171931.8523 14.7781 -4.6929 3 308.5226363 89503 30360 655 60 456 a-Alanine, conf. II
171931.8523 14.7781 -5.3034 3 308.5226363 89503 30360 655 60 556 a-Alanine, conf. II
172064.7164 0.1039 -4.8906 3 60.1293147 89503 303241114 231013 a-Alanine, conf. II
172076.9470 1.0548 -3.1386 3 104.3382225 89503 30337 037 36 036 a-Alanine, conf. II
172076.9470 1.0548 -4.2377 3 104.3382225 89503 30337 037 36 136 a-Alanine, conf. II
172076.9470 1.0548 -4.2377 3 104.3382225 89503 30337 137 36 036 a-Alanine, conf. II
172076.9470 1.0548 -3.1386 3 104.3382225 89503 30337 137 36 136 a-Alanine, conf. II
172084.5509 10.2671 -5.2163 3 446.4982417 89503 303691257 691158 a-Alanine, conf. II
172084.5509 10.2671 -4.6464 3 446.4982417 89503 303691257 691258 a-Alanine, conf. II
172084.5509 10.2671 -4.6464 3 446.4982417 89503 303691357 691158 a-Alanine, conf. II
172084.5509 10.2671 -5.2163 3 446.4982417 89503 303691357 691258 a-Alanine, conf. II
172085.4100 0.1335 -3.3867 3 102.9767183 89503 303301714 291713 a-Alanine, conf. II
172086.3188 0.1336 -3.3867 3 102.9767183 89503 303301713 291712 a-Alanine, conf. II
172106.3212 7.9346 -5.1986 3 404.5190333 89503 303554114 554015 a-Alanine, conf. II
172106.3212 7.9346 -5.1986 3 404.5190333 89503 303554115 554016 a-Alanine, conf. II
172158.8405 1.3689 -5.4305 3 192.2914255 89503 303421924 412021 a-Alanine, conf. II
172174.6704 1.6387 -5.4567 3 203.0379261 89503 303432024 422121 a-Alanine, conf. II
172196.3575 3.0741 -5.1279 3 368.7036351 89503 303582632 582435 a-Alanine, conf. II
172239.5617 0.0239 -3.2701 3 92.0152183 89503 303301120 291119 a-Alanine, conf. II
172275.3180 54.5708 -5.2361 3 849.8689549 89503 303912764 912765 a-Alanine, conf. II
172275.3265 54.5706 -5.2361 3 849.8689549 89503 303912864 912665 a-Alanine, conf. II
172283.6687 1.8562 -5.3444 3 154.7366219 89503 303362215 362016 a-Alanine, conf. II
172284.1500 1.8561 -5.3444 3 154.7365219 89503 303362214 362017 a-Alanine, conf. II
172346.9068 8.0068 -5.2037 3 394.1387327 89503 303544113 544014 a-Alanine, conf. II
172346.9068 8.0068 -5.2037 3 394.1387327 89503 303544114 544015 a-Alanine, conf. II
172360.0551 8.0020 -5.2877 3 562.7778411 89503 303684226 684127 a-Alanine, conf. II
172360.0551 8.0020 -5.2877 3 562.7778411 89503 303684227 684128 a-Alanine, conf. II
172363.1651 0.3344 -3.1807 3 103.4234213 89503 30335 332 34 331 a-Alanine, conf. II
172363.1651 0.3344 -4.3297 3 103.4234213 89503 30335 332 34 431 a-Alanine, conf. II
172363.1651 0.3344 -4.3297 3 103.4234213 89503 30335 432 34 331 a-Alanine, conf. II
172363.1651 0.3344 -3.1807 3 103.4234213 89503 30335 432 34 431 a-Alanine, conf. II
172380.5164 2.1310 -5.1689 3 211.3503261 89503 303432321 432122 a-Alanine, conf. II
172403.0797 88.5069 -5.4284 3 954.1744579 89503 303963066 963067 a-Alanine, conf. II
172403.2105 88.5044 -5.4284 3 954.1744579 89503 303963166 962967 a-Alanine, conf. II
172418.5878 9.8946 -5.1305 3 346.3004339 89503 303562631 562432 a-Alanine, conf. II
172436.4027 0.1246 -4.9981 3 33.8209111 89503 3031810 8 17 8 9 a-Alanine, conf. II
172437.8296 2.1149 -5.1686 3 211.3484261 89503 303432320 432123 a-Alanine, conf. II
172473.4593 9.3944 -5.4508 3 693.4216465 89503 303774334 774235 a-Alanine, conf. II
172473.4593 9.3944 -5.4508 3 693.4216465 89503 303774335 774236 a-Alanine, conf. II
172505.5819 0.1394 -4.7285 3 52.5191135 89503 303221211 211110 a-Alanine, conf. II
172519.0424 0.5223 -4.4660 3 47.1630111 89503 3031817 1 1716 2 a-Alanine, conf. II
172519.0424 0.5223 -4.4660 3 47.1630111 89503 3031817 2 1716 1 a-Alanine, conf. II
172573.8468 8.0803 -5.2114 3 383.9517321 89503 303534112 534013 a-Alanine, conf. II
172573.8468 8.0803 -5.2114 3 383.9517321 89503 303534113 534014 a-Alanine, conf. II
172596.8618 1.5287 -5.3091 3 564.2804459 89503 303761759 761660 a-Alanine, conf. II
172596.8618 1.5287 -4.7712 3 564.2804459 89503 303761759 761760 a-Alanine, conf. II
172596.8618 1.5287 -4.7712 3 564.2804459 89503 303761859 761660 a-Alanine, conf. II
172596.8618 1.5287 -5.3091 3 564.2804459 89503 303761859 761760 a-Alanine, conf. II
172654.5048 1.7902 -5.4540 3 203.0371261 89503 303432023 422122 a-Alanine, conf. II
172658.3244 15.2306 -5.3630 3 293.0855357 89503 30359 455 59 356 a-Alanine, conf. II
172658.3244 15.2306 -4.7471 3 293.0855357 89503 30359 455 59 456 a-Alanine, conf. II
172658.3244 15.2306 -4.7471 3 293.0855357 89503 30359 555 59 356 a-Alanine, conf. II
172658.3244 15.2306 -5.3630 3 293.0855357 89503 30359 555 59 456 a-Alanine, conf. II
172690.4211 3.6841 -5.1028 3 311.1240321 89503 303532528 532331 a-Alanine, conf. II
172696.6649 0.0942 -4.4481 3 100.6930201 89503 30333 627 32 726 a-Alanine, conf. II
172696.6688 0.0942 -3.2204 3 100.6930201 89503 30333 727 32 726 a-Alanine, conf. II
172696.6762 0.0942 -3.2204 3 100.6930201 89503 30333 627 32 626 a-Alanine, conf. II
172696.6802 0.0942 -4.4481 3 100.6930201 89503 30333 727 32 626 a-Alanine, conf. II
172708.2909 14.0865 -5.2203 3 366.8402387 89503 30364 856 64 757 a-Alanine, conf. II
172708.2909 14.0865 -4.6264 3 366.8402387 89503 30364 856 64 857 a-Alanine, conf. II
172708.2909 14.0865 -4.6264 3 366.8402387 89503 30364 956 64 757 a-Alanine, conf. II
172708.2909 14.0865 -5.2203 3 366.8402387 89503 30364 956 64 857 a-Alanine, conf. II
172775.7550 0.1136 -4.9063 3 75.2533165 89503 303271117 261016 a-Alanine, conf. II
172783.3248 0.1057 -3.3556 3 100.7363183 89503 303301615 291614 a-Alanine, conf. II
172787.7366 8.1548 -5.2220 3 373.9578315 89503 303524111 524012 a-Alanine, conf. II
172787.7366 8.1548 -5.2220 3 373.9578315 89503 303524112 524013 a-Alanine, conf. II
172794.5394 0.1062 -3.3556 3 100.7365183 89503 303301614 291613 a-Alanine, conf. II
172797.0014 0.1410 -4.7274 3 52.5114135 89503 303221210 211111 a-Alanine, conf. II
172799.4721 0.0990 -4.8655 3 80.6676171 89503 303281118 271017 a-Alanine, conf. II
172806.5235 8.0041 -5.2741 3 549.8724405 89503 303674225 674126 a-Alanine, conf. II
172806.5235 8.0041 -5.2741 3 549.8724405 89503 303674226 674127 a-Alanine, conf. II
172872.7379 3.0117 -5.1175 3 258.6848291 89503 303482425 482226 a-Alanine, conf. II
172921.3082 37.8244 -5.1242 3 788.7429531 89503 303882563 882564 a-Alanine, conf. II
172921.3092 37.8244 -5.1242 3 788.7429531 89503 303882663 882464 a-Alanine, conf. II
172955.5881 4.9362 -5.2516 3 226.2029279 89503 303461828 452025 a-Alanine, conf. II
172989.1472 8.2300 -5.2359 3 364.1567309 89503 303514110 514011 a-Alanine, conf. II
172989.1472 8.2300 -5.2359 3 364.1567309 89503 303514111 514012 a-Alanine, conf. II
173038.5495 0.1125 -4.9157 3 64.9546153 89503 303251115 241014 a-Alanine, conf. II
173062.3644 5.8558 -5.3689 3 617.3581477 89503 303791960 791861 a-Alanine, conf. II
173062.3644 5.8558 -4.8443 3 617.3581477 89503 303791960 791961 a-Alanine, conf. II
173062.3644 5.8558 -4.8443 3 617.3581477 89503 303792060 791861 a-Alanine, conf. II
173062.3644 5.8558 -5.3689 3 617.3581477 89503 303792060 791961 a-Alanine, conf. II
173078.0478 0.1177 -4.9236 3 70.0053159 89503 303261116 251015 a-Alanine, conf. II
173088.4355 7.6167 -5.2457 3 494.7604435 89503 303721458 721359 a-Alanine, conf. II
173088.4355 7.6167 -4.6878 3 494.7604435 89503 303721458 721459 a-Alanine, conf. II
173088.4355 7.6167 -4.6878 3 494.7604435 89503 303721558 721359 a-Alanine, conf. II
173088.4355 7.6167 -5.2457 3 494.7604435 89503 303721558 721459 a-Alanine, conf. II
173108.0290 11.8541 -5.2118 3 428.9328411 89503 303681157 681058 a-Alanine, conf. II
173108.0290 11.8541 -4.6353 3 428.9328411 89503 303681157 681158 a-Alanine, conf. II
173108.0290 11.8541 -4.6353 3 428.9328411 89503 303681257 681058 a-Alanine, conf. II
173108.0290 11.8541 -5.2118 3 428.9328411 89503 303681257 681158 a-Alanine, conf. II
173114.4378 9.1820 -5.4293 3 678.7505459 89503 303764333 764234 a-Alanine, conf. II
173114.4378 9.1820 -5.4293 3 678.7505459 89503 303764334 764235 a-Alanine, conf. II
173178.6271 8.3057 -5.2538 3 354.5483303 89503 3035041 9 504010 a-Alanine, conf. II
173178.6271 8.3057 -5.2538 3 354.5483303 89503 303504110 504011 a-Alanine, conf. II
173230.7214 8.0192 -5.2616 3 537.1636399 89503 303664224 664125 a-Alanine, conf. II
173230.7214 8.0192 -5.2616 3 537.1636399 89503 303664225 664126 a-Alanine, conf. II
173247.8132 24.4712 -5.0214 3 729.6047513 89503 303852362 852363 a-Alanine, conf. II
173247.8133 24.4712 -5.0214 3 729.6047513 89503 303852462 852263 a-Alanine, conf. II
173286.3425 13.9514 -5.4387 3 672.4712495 89503 303822161 822062 a-Alanine, conf. II
173286.3425 13.9514 -4.9280 3 672.4712495 89503 303822161 822162 a-Alanine, conf. II
173286.3425 13.9514 -4.9280 3 672.4712495 89503 303822261 822062 a-Alanine, conf. II
173286.3425 13.9514 -5.4387 3 672.4712495 89503 303822261 822162 a-Alanine, conf. II
173348.9700 3.5338 -5.1648 3 213.5524273 89503 303451629 441826 a-Alanine, conf. II
173349.6176 15.5760 -5.4513 3 277.8840351 89503 30358 355 58 256 a-Alanine, conf. II
173349.6176 15.5760 -4.8300 3 277.8840351 89503 30358 355 58 356 a-Alanine, conf. II
173349.6176 15.5760 -4.8300 3 277.8840351 89503 30358 455 58 256 a-Alanine, conf. II
173349.6176 15.5760 -5.4513 3 277.8840351 89503 30358 455 58 356 a-Alanine, conf. II
173356.7033 8.3815 -5.2764 3 345.1322297 89503 3034941 8 4940 9 a-Alanine, conf. II
173356.7033 8.3815 -5.2764 3 345.1322297 89503 3034941 9 494010 a-Alanine, conf. II
173394.0874 1.8908 -5.3875 3 147.8435213 89503 303352214 352015 a-Alanine, conf. II
173394.2366 1.8908 -5.3875 3 147.8435213 89503 303352213 352016 a-Alanine, conf. II
173401.9647 2.7491 -5.1150 3 258.6674291 89503 303482424 482227 a-Alanine, conf. II
173420.6279 0.0438 -4.6353 3 95.9819189 89503 30331 922 301021 a-Alanine, conf. II
173521.3671 0.0434 -3.2524 3 95.9819189 89503 303311022 301021 a-Alanine, conf. II
173523.8829 8.4572 -5.3046 3 335.9082291 89503 3034841 7 4840 8 a-Alanine, conf. II
173523.8829 8.4572 -5.3046 3 335.9082291 89503 3034841 8 4840 9 a-Alanine, conf. II
173551.3895 14.9579 -5.2389 3 350.4456381 89503 30363 756 63 657 a-Alanine, conf. II
173551.3895 14.9579 -4.6391 3 350.4456381 89503 30363 756 63 757 a-Alanine, conf. II
173551.3895 14.9579 -4.6391 3 350.4456381 89503 30363 856 63 657 a-Alanine, conf. II
173551.3895 14.9579 -5.2389 3 350.4456381 89503 30363 856 63 757 a-Alanine, conf. II
173561.7933 64.9884 -5.3027 3 889.7643561 89503 303932865 932866 a-Alanine, conf. II
173561.8096 64.9881 -5.3027 3 889.7643561 89503 303932965 932766 a-Alanine, conf. II
173615.1057 15.6788 -5.1996 3 404.0022369 89503 303612635 612438 a-Alanine, conf. II
173633.6575 8.0454 -5.2502 3 524.6513393 89503 303654223 654124 a-Alanine, conf. II
173633.6575 8.0454 -5.2502 3 524.6513393 89503 303654224 654125 a-Alanine, conf. II
173638.4743 1.7289 -5.4218 3 192.2887255 89503 303421923 412022 a-Alanine, conf. II
173651.9884 0.0429 -3.2517 3 95.9742189 89503 30331 922 30 921 a-Alanine, conf. II
173662.2774 0.0805 -3.3265 3 98.6761183 89503 303301516 291515 a-Alanine, conf. II
173680.6545 8.5327 -5.3401 3 326.8761285 89503 3034741 6 4740 7 a-Alanine, conf. II
173680.6545 8.5327 -5.3401 3 326.8761285 89503 3034741 7 4740 8 a-Alanine, conf. II
173704.8519 0.0778 -4.8108 3 86.2211177 89503 303291119 281018 a-Alanine, conf. II
173724.4254 9.0136 -5.4087 3 664.2789453 89503 303754332 754233 a-Alanine, conf. II
173724.4254 9.0136 -5.4087 3 664.2789453 89503 303754333 754234 a-Alanine, conf. II
173752.7276 0.0431 -4.6335 3 95.9742189 89503 303311022 30 921 a-Alanine, conf. II
173770.9303 0.0838 -3.3259 3 98.6783183 89503 303301515 291514 a-Alanine, conf. II
173802.7898 0.5398 -3.1589 3 105.8248219 89503 30336 234 35 233 a-Alanine, conf. II
173802.7898 0.5398 -4.2887 3 105.8248219 89503 30336 234 35 333 a-Alanine, conf. II
173802.7898 0.5398 -4.2887 3 105.8248219 89503 30336 334 35 233 a-Alanine, conf. II
173802.7898 0.5398 -3.1589 3 105.8248219 89503 30336 334 35 333 a-Alanine, conf. II
173824.9981 0.4117 -4.5012 3 48.3357117 89503 3031916 3 1815 4 a-Alanine, conf. II
173824.9981 0.4117 -4.5012 3 48.3357117 89503 3031916 4 1815 3 a-Alanine, conf. II
173827.4889 8.6079 -5.3847 3 318.0356279 89503 3034641 5 4640 6 a-Alanine, conf. II
173827.4889 8.6079 -5.3847 3 318.0356279 89503 3034641 6 4640 7 a-Alanine, conf. II
173892.2824 3.8176 -5.2889 3 545.0926453 89503 303751659 751560 a-Alanine, conf. II
173892.2824 3.8176 -4.7436 3 545.0926453 89503 303751659 751660 a-Alanine, conf. II
173892.2824 3.8176 -4.7436 3 545.0926453 89503 303751759 751560 a-Alanine, conf. II
173892.2824 3.8176 -5.2889 3 545.0926453 89503 303751759 751660 a-Alanine, conf. II
173922.0526 4.9500 -5.1098 3 300.8132315 89503 303522528 522329 a-Alanine, conf. II
173933.9364 0.0269 -3.2596 3 91.8991183 89503 303301020 291019 a-Alanine, conf. II
173964.8403 8.6825 -5.4419 3 309.3866273 89503 3034541 4 4540 5 a-Alanine, conf. II
173964.8403 8.6825 -5.4419 3 309.3866273 89503 3034541 5 4540 6 a-Alanine, conf. II
174007.4316 15.8210 -4.9647 3 262.9193345 89503 30357 255 57 256 a-Alanine, conf. II
174007.4316 15.8210 -4.9647 3 262.9193345 89503 30357 355 57 156 a-Alanine, conf. II
174016.2827 8.0811 -5.2400 3 512.3350387 89503 303644222 644123 a-Alanine, conf. II
174016.2827 8.0811 -5.2400 3 512.3350387 89503 303644223 644124 a-Alanine, conf. II
174050.7122 0.0739 -5.2576 3 29.1751111 89503 30318 513 17 314 a-Alanine, conf. II
174082.4634 13.2627 -5.2115 3 411.5932405 89503 303671057 67 958 a-Alanine, conf. II
174082.4634 13.2627 -4.6287 3 411.5932405 89503 303671057 671058 a-Alanine, conf. II
174082.4634 13.2627 -4.6287 3 411.5932405 89503 303671157 67 958 a-Alanine, conf. II
174082.4634 13.2627 -5.2115 3 411.5932405 89503 303671157 671058 a-Alanine, conf. II
174099.2018 0.1454 -4.3947 3 103.7126207 89503 30334 529 33 628 a-Alanine, conf. II
174099.2019 0.1454 -3.1993 3 103.7126207 89503 30334 629 33 628 a-Alanine, conf. II
174099.2020 0.1454 -3.1993 3 103.7126207 89503 30334 529 33 528 a-Alanine, conf. II
174099.2020 0.1454 -4.3947 3 103.7126207 89503 30334 629 33 528 a-Alanine, conf. II
174212.1227 9.6947 -5.2338 3 476.4894429 89503 303711358 711259 a-Alanine, conf. II
174212.1227 9.6947 -4.6692 3 476.4894429 89503 303711358 711359 a-Alanine, conf. II
174212.1227 9.6947 -4.6692 3 476.4894429 89503 303711458 711259 a-Alanine, conf. II
174212.1227 9.6947 -5.2338 3 476.4894429 89503 303711458 711359 a-Alanine, conf. II
174296.2936 2.0956 -5.1895 3 203.0379255 89503 303422320 422121 a-Alanine, conf. II
174304.9884 8.8831 -5.3890 3 650.0063447 89503 303744331 744232 a-Alanine, conf. II
174304.9884 8.8831 -5.3890 3 650.0063447 89503 303744332 744233 a-Alanine, conf. II
174318.7243 2.0897 -5.1894 3 203.0371255 89503 303422319 422122 a-Alanine, conf. II
174346.5156 46.0371 -5.1861 3 827.3152543 89503 303902664 902665 a-Alanine, conf. II
174346.5174 46.0371 -5.1861 3 827.3152543 89503 303902764 902565 a-Alanine, conf. II
174354.2766 15.6936 -5.2670 3 334.2827375 89503 30362 656 62 557 a-Alanine, conf. II
174354.2766 15.6936 -4.6615 3 334.2827375 89503 30362 656 62 657 a-Alanine, conf. II
174354.2766 15.6936 -4.6615 3 334.2827375 89503 30362 756 62 557 a-Alanine, conf. II
174354.2766 15.6936 -5.2670 3 334.2827375 89503 30362 756 62 657 a-Alanine, conf. II
174379.4951 8.1247 -5.2310 3 500.2145381 89503 303634221 634122 a-Alanine, conf. II
174379.4951 8.1247 -5.2310 3 500.2145381 89503 303634222 634123 a-Alanine, conf. II
174382.7277 0.2703 -5.0272 3 107.0102195 89503 303321220 311319 a-Alanine, conf. II
174395.1801 1.9296 -5.4355 3 141.1529207 89503 303342213 342014 a-Alanine, conf. II
174395.2239 1.9296 -5.4355 3 141.1529207 89503 303342212 342015 a-Alanine, conf. II
174482.5982 2.4367 -5.3440 3 597.4815471 89503 303781860 781761 a-Alanine, conf. II
174482.5982 2.4367 -4.8116 3 597.4815471 89503 303781860 781861 a-Alanine, conf. II
174482.5982 2.4367 -4.8116 3 597.4815471 89503 303781960 781761 a-Alanine, conf. II
174482.5982 2.4367 -5.3440 3 597.4815471 89503 303781960 781861 a-Alanine, conf. II
174528.2121 0.1173 -4.8768 3 99.3902189 89503 303311120 301219 a-Alanine, conf. II
174535.1956 4.0454 -5.1172 3 357.3181345 89503 303572631 572434 a-Alanine, conf. II
174568.1033 0.0234 -3.2673 3 93.5672183 89503 303301219 291218 a-Alanine, conf. II
174573.4503 0.6796 -4.4915 3 152.0613189 89503 3033130 1 3030 0 a-Alanine, conf. II
174573.4503 0.6796 -4.4915 3 152.0613189 89503 3033130 2 3030 1 a-Alanine, conf. II
174593.4385 0.0698 -5.2558 3 29.1753111 89503 30318 613 17 414 a-Alanine, conf. II
174633.3512 15.9721 -5.2251 3 248.1925339 89503 30356 155 56 156 a-Alanine, conf. II
174633.3512 15.9721 -5.2251 3 248.1925339 89503 30356 255 56 056 a-Alanine, conf. II
174648.3345 0.0647 -4.5455 3 99.7017195 89503 30332 824 31 923 a-Alanine, conf. II
174651.8202 0.0647 -3.2347 3 99.7017195 89503 30332 924 31 923 a-Alanine, conf. II
174652.4613 0.0576 -3.2994 3 96.8063183 89503 303301417 291416 a-Alanine, conf. II
174657.1934 0.0647 -3.2347 3 99.7014195 89503 30332 824 31 823 a-Alanine, conf. II
174660.6790 0.0647 -4.5454 3 99.7014195 89503 30332 924 31 823 a-Alanine, conf. II
174683.9976 0.6276 -4.1883 3 147.8227189 89503 3033129 2 3029 1 a-Alanine, conf. II
174683.9976 0.6276 -4.1883 3 147.8227189 89503 3033129 3 3029 2 a-Alanine, conf. II
174709.6864 0.2037 -5.2608 3 28.5068 99 89503 3031611 5 15 9 6 a-Alanine, conf. II
174724.1450 8.1752 -5.2233 3 488.2893375 89503 303624220 624121 a-Alanine, conf. II
174724.1450 8.1752 -5.2233 3 488.2893375 89503 303624221 624122 a-Alanine, conf. II
174752.4812 0.2039 -5.2606 3 28.5053 99 89503 3031611 6 15 9 7 a-Alanine, conf. II
174788.1708 76.7970 -5.3721 3 930.5227573 89503 303952966 952967 a-Alanine, conf. II
174788.2016 76.7964 -5.3721 3 930.5227573 89503 303953066 952867 a-Alanine, conf. II
174800.3240 30.8442 -5.0783 3 766.8457525 89503 303872463 872464 a-Alanine, conf. II
174800.3242 30.8442 -5.0783 3 766.8457525 89503 303872563 872364 a-Alanine, conf. II
174807.1273 0.5773 -4.0104 3 143.7314189 89503 3033128 3 3028 2 a-Alanine, conf. II
174807.1273 0.5773 -4.0104 3 143.7314189 89503 3033128 4 3028 3 a-Alanine, conf. II
174827.4466 1.4493 -5.3399 3 154.6839231 89503 303381622 371721 a-Alanine, conf. II
174843.6832 9.3596 -5.4096 3 651.9131489 89503 303812061 811962 a-Alanine, conf. II
174843.6832 9.3596 -4.8907 3 651.9131489 89503 303812061 812062 a-Alanine, conf. II
174843.6832 9.3596 -4.8907 3 651.9131489 89503 303812161 811962 a-Alanine, conf. II
174843.6832 9.3596 -5.4096 3 651.9131489 89503 303812161 812062 a-Alanine, conf. II
174857.5799 8.7849 -5.3702 3 635.9323441 89503 303734330 734231 a-Alanine, conf. II
174857.5799 8.7849 -5.3702 3 635.9323441 89503 303734331 734232 a-Alanine, conf. II
174938.9312 1.6232 -5.0688 3 204.6873267 89503 303441628 431825 a-Alanine, conf. II
174944.8223 0.5288 -3.8840 3 139.7881189 89503 3033127 4 3027 3 a-Alanine, conf. II
174944.8223 0.5288 -3.8840 3 139.7881189 89503 3033127 5 3027 4 a-Alanine, conf. II
174948.2754 0.1205 -4.9028 3 37.3985117 89503 3031910 9 18 810 a-Alanine, conf. II
174957.0021 18.7810 -4.9798 3 708.3729507 89503 303842262 842263 a-Alanine, conf. II
174957.0022 18.7810 -4.9798 3 708.3729507 89503 303842362 842163 a-Alanine, conf. II
174979.4791 0.0540 -3.2625 3 88.2294177 89503 303291217 281216 a-Alanine, conf. II
175010.6080 14.5020 -5.2162 3 394.4811399 89503 30366 957 66 858 a-Alanine, conf. II
175010.6080 14.5020 -4.6273 3 394.4811399 89503 30366 957 66 958 a-Alanine, conf. II
175010.6080 14.5020 -4.6273 3 394.4811399 89503 303661057 66 858 a-Alanine, conf. II
175010.6080 14.5020 -5.2162 3 394.4811399 89503 303661057 66 958 a-Alanine, conf. II
175045.5288 8.9109 -5.3571 3 252.6439297 89503 303491732 481929 a-Alanine, conf. II
175051.0381 8.2315 -5.2170 3 476.5593369 89503 303614219 614120 a-Alanine, conf. II
175051.0381 8.2315 -5.2170 3 476.5593369 89503 303614220 614121 a-Alanine, conf. II
175095.4360 15.0436 -5.1527 3 383.2525357 89503 303592733 592534 a-Alanine, conf. II
175099.4939 0.4819 -3.7860 3 135.9932189 89503 3033126 5 3026 4 a-Alanine, conf. II
175099.4939 0.4819 -3.7860 3 135.9932189 89503 3033126 6 3026 5 a-Alanine, conf. II
175099.6481 0.3189 -4.5406 3 49.8651123 89503 3032015 6 1914 5 a-Alanine, conf. II
175099.6506 0.3189 -4.5406 3 49.8651123 89503 3032015 5 1914 6 a-Alanine, conf. II
175118.9973 16.3016 -5.3079 3 318.3527369 89503 30361 556 61 457 a-Alanine, conf. II
175118.9973 16.3016 -4.6969 3 318.3527369 89503 30361 556 61 557 a-Alanine, conf. II
175118.9973 16.3016 -4.6969 3 318.3527369 89503 30361 656 61 457 a-Alanine, conf. II
175118.9973 16.3016 -5.3079 3 318.3527369 89503 30361 656 61 557 a-Alanine, conf. II
175124.2794 6.4084 -5.2711 3 526.1225447 89503 303741559 741460 a-Alanine, conf. II
175124.2794 6.4084 -4.7187 3 526.1225447 89503 303741559 741560 a-Alanine, conf. II
175124.2794 6.4084 -4.7187 3 526.1225447 89503 303741659 741460 a-Alanine, conf. II
175124.2794 6.4084 -5.2711 3 526.1225447 89503 303741659 741560 a-Alanine, conf. II
175176.7863 0.0326 -3.2493 3 87.2534177 89503 303291118 281117 a-Alanine, conf. II
175239.5272 0.8311 -3.1374 3 108.0425225 89503 30337 136 36 135 a-Alanine, conf. II
175239.5272 0.8311 -4.2506 3 108.0425225 89503 30337 136 36 235 a-Alanine, conf. II
175239.5272 0.8311 -4.2506 3 108.0425225 89503 30337 236 36 135 a-Alanine, conf. II
175239.5272 0.8311 -3.1374 3 108.0425225 89503 30337 236 36 235 a-Alanine, conf. II
175259.7243 0.0371 -3.2776 3 95.1226183 89503 303301318 291317 a-Alanine, conf. II
175274.1045 0.4368 -3.7060 3 132.3475189 89503 3033125 6 3025 5 a-Alanine, conf. II
175274.1045 0.4368 -3.7060 3 132.3475189 89503 3033125 7 3025 6 a-Alanine, conf. II
175281.9890 11.5692 -5.2252 3 458.4412423 89503 303701258 701159 a-Alanine, conf. II
175281.9890 11.5692 -4.6539 3 458.4412423 89503 303701258 701259 a-Alanine, conf. II
175281.9890 11.5692 -4.6539 3 458.4412423 89503 303701358 701159 a-Alanine, conf. II
175281.9890 11.5692 -5.2252 3 458.4412423 89503 303701358 701259 a-Alanine, conf. II
175321.2033 0.1191 -4.8517 3 55.4118141 89503 303231112 221013 a-Alanine, conf. II
175360.9402 8.2926 -5.2122 3 465.0241363 89503 303604218 604119 a-Alanine, conf. II
175360.9402 8.2926 -5.2122 3 465.0241363 89503 303604219 604120 a-Alanine, conf. II
175383.5514 8.7144 -5.3523 3 622.0564435 89503 303724329 724230 a-Alanine, conf. II
175383.5514 8.7144 -5.3523 3 622.0564435 89503 303724330 724231 a-Alanine, conf. II
175432.4705 0.0741 -3.2954 3 96.8262183 89503 303301416 291415 a-Alanine, conf. II
175433.5692 0.1186 -4.8943 3 36.1300117 89503 30319 911 18 712 a-Alanine, conf. II
175444.4000 0.1361 -4.9957 3 33.7170111 89503 3031810 9 17 810 a-Alanine, conf. II
175472.3391 0.3933 -3.6387 3 128.8517189 89503 3033124 7 3024 6 a-Alanine, conf. II
175472.3391 0.3933 -3.6387 3 128.8517189 89503 3033124 8 3024 7 a-Alanine, conf. II
175525.6895 0.2430 -3.1781 3 106.5375213 89503 30335 431 34 430 a-Alanine, conf. II
175525.6895 0.2430 -4.3472 3 106.5375213 89503 30335 431 34 530 a-Alanine, conf. II
175525.6895 0.2430 -4.3472 3 106.5375213 89503 30335 531 34 430 a-Alanine, conf. II
175525.6895 0.2430 -3.1781 3 106.5375213 89503 30335 531 34 530 a-Alanine, conf. II
175612.6693 0.1120 -4.9530 3 34.9991117 89503 30319 812 18 613 a-Alanine, conf. II
175654.5794 8.3578 -5.2090 3 453.6833357 89503 303594217 594118 a-Alanine, conf. II
175654.5794 8.3578 -5.2090 3 453.6833357 89503 303594218 594119 a-Alanine, conf. II
175660.0378 3.6137 -5.1021 3 300.7563315 89503 303522527 522330 a-Alanine, conf. II
175670.9105 2.7335 -5.1255 3 249.3400285 89503 303472424 472225 a-Alanine, conf. II
175698.8464 0.3517 -3.5805 3 125.5070189 89503 3033123 8 3023 7 a-Alanine, conf. II
175698.8464 0.3517 -3.5805 3 125.5070189 89503 3033123 9 3023 8 a-Alanine, conf. II
175715.6815 55.4088 -5.2507 3 866.7549555 89503 303922765 922766 a-Alanine, conf. II
175715.6851 55.4087 -5.2507 3 866.7549555 89503 303922865 922666 a-Alanine, conf. II
175722.3735 0.0580 -4.7528 3 91.8991183 89503 303301120 291019 a-Alanine, conf. II
175801.9305 7.3261 -5.3182 3 246.7798291 89503 303481929 472126 a-Alanine, conf. II
175832.2568 2.1038 -5.3212 3 577.8190465 89503 303771760 771661 a-Alanine, conf. II
175832.2568 2.1038 -4.7813 3 577.8190465 89503 303771760 771761 a-Alanine, conf. II
175832.2568 2.1038 -4.7813 3 577.8190465 89503 303771860 771661 a-Alanine, conf. II
175832.2568 2.1038 -5.3212 3 577.8190465 89503 303771860 771761 a-Alanine, conf. II
175847.4436 16.7895 -5.3671 3 302.6570363 89503 30360 456 60 357 a-Alanine, conf. II
175847.4436 16.7895 -4.7507 3 302.6570363 89503 30360 456 60 457 a-Alanine, conf. II
175847.4436 16.7895 -4.7507 3 302.6570363 89503 30360 556 60 357 a-Alanine, conf. II
175847.4436 16.7895 -5.3671 3 302.6570363 89503 30360 556 60 457 a-Alanine, conf. II
175884.1636 8.6677 -5.3354 3 608.3784429 89503 303714328 714229 a-Alanine, conf. II
175884.1636 8.6677 -5.3354 3 608.3784429 89503 303714329 714230 a-Alanine, conf. II
175894.9779 15.5814 -5.2268 3 377.5979393 89503 30365 857 65 758 a-Alanine, conf. II
175894.9779 15.5814 -4.6320 3 377.5979393 89503 30365 857 65 858 a-Alanine, conf. II
175894.9779 15.5814 -4.6320 3 377.5979393 89503 30365 957 65 758 a-Alanine, conf. II
175894.9779 15.5814 -5.2268 3 377.5979393 89503 30365 957 65 858 a-Alanine, conf. II
175904.0813 2.6280 -5.1244 3 249.3323285 89503 303472423 472226 a-Alanine, conf. II
175927.3549 0.0855 -4.4759 3 103.1851201 89503 30333 726 32 825 a-Alanine, conf. II
175927.4366 0.0855 -3.2155 3 103.1851201 89503 30333 826 32 825 a-Alanine, conf. II
175927.5791 0.0855 -3.2155 3 103.1851201 89503 30333 726 32 725 a-Alanine, conf. II
175927.6608 0.0855 -4.4759 3 103.1851201 89503 30333 826 32 725 a-Alanine, conf. II
175932.6500 8.4264 -5.2076 3 442.5368351 89503 303584216 584117 a-Alanine, conf. II
175932.6500 8.4264 -5.2076 3 442.5368351 89503 303584217 584118 a-Alanine, conf. II
175953.0326 90.1407 -5.4441 3 972.1420585 89503 303973067 973068 a-Alanine, conf. II
175953.0901 90.1395 -5.4441 3 972.1420585 89503 303973167 972968 a-Alanine, conf. II
175959.5914 0.3117 -3.5296 3 122.3146189 89503 3033122 9 3022 8 a-Alanine, conf. II
175959.5914 0.3117 -3.5296 3 122.3146189 89503 303312210 3022 9 a-Alanine, conf. II
176009.3112 2.0844 -5.2134 3 194.9362249 89503 303412319 412120 a-Alanine, conf. II
176017.7262 2.0823 -5.2134 3 194.9360249 89503 303412318 412121 a-Alanine, conf. II
176026.9596 1.8017 -5.3847 3 181.8824249 89503 303411823 401922 a-Alanine, conf. II
176061.7888 0.0422 -4.7135 3 97.7605189 89503 303311021 301120 a-Alanine, conf. II
176195.8143 8.4977 -5.2080 3 431.5843345 89503 303574215 574116 a-Alanine, conf. II
176195.8143 8.4977 -5.2080 3 431.5843345 89503 303574216 574117 a-Alanine, conf. II
176262.3862 0.2736 -3.4843 3 119.2761189 89503 303312110 3021 9 a-Alanine, conf. II
176262.3862 0.2736 -3.4843 3 119.2761189 89503 303312111 302110 a-Alanine, conf. II
176296.9600 8.8172 -5.2560 3 507.3719441 89503 303731459 731360 a-Alanine, conf. II
176296.9600 8.8172 -4.6966 3 507.3719441 89503 303731459 731460 a-Alanine, conf. II
176296.9600 8.8172 -4.6966 3 507.3719441 89503 303731559 731360 a-Alanine, conf. II
176296.9600 8.8172 -5.2560 3 507.3719441 89503 303731559 731460 a-Alanine, conf. II
176299.8751 0.2430 -4.5871 3 51.7635129 89503 3032114 8 2013 7 a-Alanine, conf. II
176299.9880 38.1839 -5.1381 3 804.9581537 89503 303892564 892565 a-Alanine, conf. II
176299.9884 38.1839 -5.1381 3 804.9581537 89503 303892664 892465 a-Alanine, conf. II
176300.2308 0.2430 -4.5871 3 51.7635129 89503 3032114 7 2013 8 a-Alanine, conf. II
176301.2034 13.2474 -5.2202 3 440.6174417 89503 303691158 691059 a-Alanine, conf. II
176301.2034 13.2474 -4.6426 3 440.6174417 89503 303691158 691159 a-Alanine, conf. II
176301.2034 13.2474 -4.6426 3 440.6174417 89503 303691258 691059 a-Alanine, conf. II
176301.2034 13.2474 -5.2202 3 440.6174417 89503 303691258 691159 a-Alanine, conf. II
176321.9431 5.2102 -5.3824 3 631.5653483 89503 303801961 801862 a-Alanine, conf. II
176321.9431 5.2102 -4.8556 3 631.5653483 89503 303801961 801962 a-Alanine, conf. II
176321.9431 5.2102 -4.8556 3 631.5653483 89503 303802061 801862 a-Alanine, conf. II
176321.9431 5.2102 -5.3824 3 631.5653483 89503 303802061 801962 a-Alanine, conf. II
176332.1920 0.5511 -5.4034 3 179.6793249 89503 303411725 401822 a-Alanine, conf. II
176355.1972 0.8186 -5.2210 3 129.7395213 89503 303351421 341520 a-Alanine, conf. II
176360.5954 8.6412 -5.3194 3 594.8977423 89503 303704327 704228 a-Alanine, conf. II
176360.5954 8.6412 -5.3194 3 594.8977423 89503 303704328 704229 a-Alanine, conf. II
176444.7053 8.5713 -5.2104 3 420.8254339 89503 303564214 564115 a-Alanine, conf. II
176444.7053 8.5713 -5.2104 3 420.8254339 89503 303564215 564116 a-Alanine, conf. II
176506.4154 5.7727 -5.1717 3 418.9543375 89503 303622735 622538 a-Alanine, conf. II
176541.3708 17.1645 -5.4549 3 287.1967357 89503 30359 356 59 257 a-Alanine, conf. II
176541.3708 17.1645 -4.8332 3 287.1967357 89503 30359 356 59 357 a-Alanine, conf. II
176541.3708 17.1645 -4.8332 3 287.1967357 89503 30359 456 59 257 a-Alanine, conf. II
176541.3708 17.1645 -5.4549 3 287.1967357 89503 30359 456 59 357 a-Alanine, conf. II
176576.8431 13.5547 -5.4534 3 687.3472501 89503 303832162 832063 a-Alanine, conf. II
176576.8431 13.5547 -4.9402 3 687.3472501 89503 303832162 832163 a-Alanine, conf. II
176576.8431 13.5547 -4.9402 3 687.3472501 89503 303832262 832063 a-Alanine, conf. II
176576.8431 13.5547 -5.4534 3 687.3472501 89503 303832262 832163 a-Alanine, conf. II
176577.3885 24.4173 -5.0346 3 745.1501519 89503 303862363 862364 a-Alanine, conf. II
176577.3886 24.4173 -5.0346 3 745.1501519 89503 303862463 862264 a-Alanine, conf. II
176617.7250 0.2373 -3.4436 3 116.3938189 89503 303312012 302011 a-Alanine, conf. II
176617.7256 0.2373 -3.4436 3 116.3938189 89503 303312011 302010 a-Alanine, conf. II
176669.8942 1.2271 -3.1162 3 110.0781231 89503 30338 038 37 037 a-Alanine, conf. II
176669.8942 1.2271 -4.2151 3 110.0781231 89503 30338 038 37 137 a-Alanine, conf. II
176669.8942 1.2271 -4.2151 3 110.0781231 89503 30338 138 37 037 a-Alanine, conf. II
176669.8942 1.2271 -3.1162 3 110.0781231 89503 30338 138 37 137 a-Alanine, conf. II
176679.9289 8.6467 -5.2152 3 410.2599333 89503 303554213 554114 a-Alanine, conf. II
176679.9289 8.6467 -5.2152 3 410.2599333 89503 303554214 554115 a-Alanine, conf. II
176737.8786 16.5097 -5.2450 3 360.9449387 89503 30364 757 64 658 a-Alanine, conf. II
176737.8786 16.5097 -4.6444 3 360.9449387 89503 30364 757 64 758 a-Alanine, conf. II
176737.8786 16.5097 -4.6444 3 360.9449387 89503 30364 857 64 658 a-Alanine, conf. II
176737.8786 16.5097 -5.2450 3 360.9449387 89503 30364 857 64 758 a-Alanine, conf. II
176798.2767 0.1205 -4.7968 3 41.2127123 89503 303201010 19 811 a-Alanine, conf. II
176813.9517 8.6322 -5.3045 3 581.6141417 89503 303694326 694227 a-Alanine, conf. II
176813.9517 8.6322 -5.3045 3 581.6141417 89503 303694327 694228 a-Alanine, conf. II
176830.9287 0.6375 -4.4181 3 49.5327111 89503 3031818 0 1717 1 a-Alanine, conf. II
176830.9287 0.6375 -4.4181 3 49.5327111 89503 3031818 1 1717 0 a-Alanine, conf. II
176902.0658 8.7235 -5.2225 3 399.8875327 89503 303544212 544113 a-Alanine, conf. II
176902.0658 8.7235 -5.2225 3 399.8875327 89503 303544213 544114 a-Alanine, conf. II
176930.4674 0.0339 -3.2432 3 97.7605189 89503 303311121 301120 a-Alanine, conf. II
176961.9264 0.4029 -3.1571 3 109.1728219 89503 30336 333 35 332 a-Alanine, conf. II
176961.9264 0.4029 -4.3042 3 109.1728219 89503 30336 333 35 432 a-Alanine, conf. II
176961.9264 0.4029 -4.3042 3 109.1728219 89503 30336 433 35 332 a-Alanine, conf. II
176961.9264 0.4029 -3.1571 3 109.1728219 89503 30336 433 35 432 a-Alanine, conf. II
177027.7173 66.0600 -5.3180 3 907.0598567 89503 303942866 942867 a-Alanine, conf. II
177027.7243 66.0599 -5.3180 3 907.0598567 89503 303942966 942767 a-Alanine, conf. II
177040.1662 0.2029 -3.4066 3 113.6703189 89503 303311913 301912 a-Alanine, conf. II
177040.1784 0.2029 -3.4066 3 113.6703189 89503 303311912 301911 a-Alanine, conf. II
177111.6730 8.8013 -5.2328 3 389.7081321 89503 303534211 534112 a-Alanine, conf. II
177111.6730 8.8013 -5.2328 3 389.7081321 89503 303534212 534113 a-Alanine, conf. II
177116.2039 4.8406 -5.3006 3 558.3725459 89503 303761660 761561 a-Alanine, conf. II
177116.2039 4.8406 -4.7535 3 558.3725459 89503 303761660 761661 a-Alanine, conf. II
177116.2039 4.8406 -4.7535 3 558.3725459 89503 303761760 761561 a-Alanine, conf. II
177116.2039 4.8406 -5.3006 3 558.3725459 89503 303761760 761661 a-Alanine, conf. II
177185.9035 22.6342 -5.1841 3 422.0941375 89503 303622835 622636 a-Alanine, conf. II
177202.4131 17.4335 -4.9676 3 271.9732351 89503 30358 256 58 257 a-Alanine, conf. II
177202.4131 17.4335 -4.9676 3 271.9732351 89503 30358 356 58 157 a-Alanine, conf. II
177245.2707 8.6381 -5.2906 3 568.5272411 89503 303684325 684226 a-Alanine, conf. II
177245.2707 8.6381 -5.2906 3 568.5272411 89503 303684326 684227 a-Alanine, conf. II
177257.9014 3.1085 -5.1514 3 406.7827369 89503 303612734 612537 a-Alanine, conf. II
177272.6415 14.7385 -5.2195 3 423.0196411 89503 303681058 68 959 a-Alanine, conf. II
177272.6415 14.7385 -4.6357 3 423.0196411 89503 303681058 681059 a-Alanine, conf. II
177272.6415 14.7385 -4.6357 3 423.0196411 89503 303681158 68 959 a-Alanine, conf. II
177272.6415 14.7385 -5.2195 3 423.0196411 89503 303681158 681059 a-Alanine, conf. II
177290.6484 0.1164 -4.4176 3 106.4535207 89503 30334 628 33 727 a-Alanine, conf. II
177290.6497 0.1164 -3.1956 3 106.4535207 89503 30334 728 33 727 a-Alanine, conf. II
177290.6523 0.1164 -3.1956 3 106.4535207 89503 30334 628 33 627 a-Alanine, conf. II
177290.6536 0.1164 -4.4176 3 106.4535207 89503 30334 728 33 627 a-Alanine, conf. II
177309.2855 8.8798 -5.2464 3 379.7214315 89503 303524210 524111 a-Alanine, conf. II
177309.2855 8.8798 -5.2464 3 379.7214315 89503 303524211 524112 a-Alanine, conf. II
177318.6003 0.1831 -4.6457 3 54.0518135 89503 303221310 2112 9 a-Alanine, conf. II
177342.3484 0.1832 -4.6456 3 54.0512135 89503 3032213 9 211210 a-Alanine, conf. II
177358.7618 26.7881 -5.2897 3 363.2912351 89503 303582434 582237 a-Alanine, conf. II
177398.9012 4.5108 -5.1097 3 346.1385339 89503 303562630 562433 a-Alanine, conf. II
177414.0068 11.0099 -5.2437 3 488.8425435 89503 303721359 721260 a-Alanine, conf. II
177414.0068 11.0099 -4.6776 3 488.8425435 89503 303721359 721360 a-Alanine, conf. II
177414.0068 11.0099 -4.6776 3 488.8425435 89503 303721459 721260 a-Alanine, conf. II
177414.0068 11.0099 -5.2437 3 488.8425435 89503 303721459 721360 a-Alanine, conf. II
177495.4179 8.9587 -5.2640 3 369.9270309 89503 3035142 9 514110 a-Alanine, conf. II
177495.4179 8.9587 -5.2640 3 369.9270309 89503 303514210 514111 a-Alanine, conf. II
177538.6345 0.1359 -4.7313 3 56.7786141 89503 303231212 221111 a-Alanine, conf. II
177541.4314 17.2955 -5.2726 3 344.5235381 89503 30363 657 63 558 a-Alanine, conf. II
177541.4314 17.2955 -4.6664 3 344.5235381 89503 30363 657 63 658 a-Alanine, conf. II
177541.4314 17.2955 -4.6664 3 344.5235381 89503 30363 757 63 558 a-Alanine, conf. II
177541.4314 17.2955 -5.2726 3 344.5235381 89503 30363 757 63 658 a-Alanine, conf. II
177549.8987 2.0901 -5.2408 3 187.0432243 89503 303402318 402119 a-Alanine, conf. II
177550.7257 0.1708 -3.3728 3 111.1095189 89503 303311814 301813 a-Alanine, conf. II
177550.9287 0.1708 -3.3728 3 111.1095189 89503 303311813 301812 a-Alanine, conf. II
177552.9224 2.0894 -5.2407 3 187.0431243 89503 303402317 402120 a-Alanine, conf. II
177655.5298 8.6567 -5.2777 3 555.6366405 89503 303674324 674225 a-Alanine, conf. II
177655.5298 8.6567 -5.2777 3 555.6366405 89503 303674325 674226 a-Alanine, conf. II
177669.1808 24.7712 -5.3232 3 338.1879339 89503 303562333 562136 a-Alanine, conf. II
177670.5655 9.0379 -5.2862 3 360.3249303 89503 3035042 8 5041 9 a-Alanine, conf. II
177670.5655 9.0379 -5.2862 3 360.3249303 89503 3035042 9 504110 a-Alanine, conf. II
177693.8586 13.6601 -5.2007 3 431.3080381 89503 303632736 632539 a-Alanine, conf. II
177695.6576 9.8054 -5.4491 3 699.1747465 89503 303774433 774334 a-Alanine, conf. II
177695.6576 9.8054 -5.4491 3 699.1747465 89503 303774434 774335 a-Alanine, conf. II
177718.5387 4.0295 -5.1078 3 290.6321309 89503 303512527 512328 a-Alanine, conf. II
177726.9557 1.8894 -5.3571 3 611.4297477 89503 303791861 791762 a-Alanine, conf. II
177726.9557 1.8894 -4.8227 3 611.4297477 89503 303791861 791862 a-Alanine, conf. II
177726.9557 1.8894 -4.8227 3 611.4297477 89503 303791961 791762 a-Alanine, conf. II
177726.9557 1.8894 -5.3571 3 611.4297477 89503 303791961 791862 a-Alanine, conf. II
177745.9491 46.5925 -5.2007 3 843.9399549 89503 303912665 912666 a-Alanine, conf. II
177745.9499 46.5925 -5.2007 3 843.9399549 89503 303912765 912566 a-Alanine, conf. II
177821.6963 10.2044 -5.3887 3 268.2565303 89503 303502030 492227 a-Alanine, conf. II
177832.0963 17.6032 -5.2276 3 256.9874345 89503 30357 156 57 157 a-Alanine, conf. II
177832.0963 17.6032 -5.2276 3 256.9874345 89503 30357 256 57 057 a-Alanine, conf. II
177835.2055 9.1170 -5.3142 3 350.9147297 89503 3034942 7 4941 8 a-Alanine, conf. II
177835.2055 9.1170 -5.3142 3 350.9147297 89503 3034942 8 4941 9 a-Alanine, conf. II
177850.2259 0.0349 -3.2379 3 97.7009189 89503 303311021 301020 a-Alanine, conf. II
177861.7502 27.7760 -5.2648 3 389.2670363 89503 303602535 602338 a-Alanine, conf. II
177901.3726 7.2291 -5.1160 3 335.2547333 89503 303552630 552431 a-Alanine, conf. II
177989.7980 9.1959 -5.3493 3 341.6963291 89503 3034842 6 4841 7 a-Alanine, conf. II
177989.7980 9.1959 -5.3493 3 341.6963291 89503 3034842 7 4841 8 a-Alanine, conf. II
177991.1904 0.1122 -5.0796 3 33.7290117 89503 30319 613 18 414 a-Alanine, conf. II
178013.6161 0.0581 -4.5905 3 101.7700195 89503 30332 923 311022 a-Alanine, conf. II
178045.6508 8.6863 -5.2660 3 542.9420399 89503 303664323 664224 a-Alanine, conf. II
178045.6508 8.6863 -5.2660 3 542.9420399 89503 303664324 664225 a-Alanine, conf. II
178056.2799 0.0581 -3.2271 3 101.7700195 89503 303321023 311022 a-Alanine, conf. II
178090.7607 0.1718 -5.2757 3 48.7167135 89503 30322 913 21 814 a-Alanine, conf. II
178094.4205 2.5731 -5.1372 3 240.2156279 89503 303462423 462224 a-Alanine, conf. II
178114.3553 0.0579 -3.2268 3 101.7666195 89503 30332 923 31 922 a-Alanine, conf. II
178114.4349 8.7740 -5.4240 3 666.5299495 89503 303822062 821963 a-Alanine, conf. II
178114.4349 8.7740 -4.9028 3 666.5299495 89503 303822062 822063 a-Alanine, conf. II
178114.4349 8.7740 -4.9028 3 666.5299495 89503 303822162 821963 a-Alanine, conf. II
178114.4349 8.7740 -5.4240 3 666.5299495 89503 303822162 822063 a-Alanine, conf. II
178134.7870 9.2744 -5.3936 3 332.6695285 89503 3034742 5 4741 6 a-Alanine, conf. II
178134.7870 9.2744 -5.3936 3 332.6695285 89503 3034742 6 4741 7 a-Alanine, conf. II
178143.9191 0.5102 -4.4509 3 50.5521117 89503 3031917 2 1816 3 a-Alanine, conf. II
178143.9191 0.5102 -4.4509 3 50.5521117 89503 3031917 3 1816 2 a-Alanine, conf. II
178146.8157 30.9466 -5.0923 3 782.8005531 89503 303882464 882465 a-Alanine, conf. II
178146.8158 30.9466 -5.0923 3 782.8005531 89503 303882564 882365 a-Alanine, conf. II
178157.0192 0.0580 -4.5897 3 101.7666195 89503 303321023 31 922 a-Alanine, conf. II
178180.7690 0.1413 -3.3415 3 108.7168189 89503 303311715 301714 a-Alanine, conf. II
178183.5474 0.1415 -3.3415 3 108.7169189 89503 303311714 301713 a-Alanine, conf. II
178193.0302 2.5322 -5.1367 3 240.2123279 89503 303462422 462225 a-Alanine, conf. II
178198.9240 16.0523 -5.2237 3 405.6492405 89503 30367 958 67 859 a-Alanine, conf. II
178198.9240 16.0523 -4.6339 3 405.6492405 89503 30367 958 67 959 a-Alanine, conf. II
178198.9240 16.0523 -4.6339 3 405.6492405 89503 303671058 67 859 a-Alanine, conf. II
178198.9240 16.0523 -5.2237 3 405.6492405 89503 303671058 67 959 a-Alanine, conf. II
178261.2852 18.5004 -4.9928 3 723.6585513 89503 303852263 852264 a-Alanine, conf. II
178261.2852 18.5004 -4.9928 3 723.6585513 89503 303852363 852164 a-Alanine, conf. II
178270.6017 9.3524 -5.4505 3 323.8339279 89503 3034642 4 4641 5 a-Alanine, conf. II
178270.6017 9.3524 -5.4505 3 323.8339279 89503 3034642 5 4641 6 a-Alanine, conf. II
178281.0330 9.6459 -5.4283 3 684.5250459 89503 303764432 764333 a-Alanine, conf. II
178281.0330 9.6459 -5.4283 3 684.5250459 89503 303764433 764334 a-Alanine, conf. II
178281.4481 78.1223 -5.3881 3 948.2276579 89503 303962967 962968 a-Alanine, conf. II
178281.4614 78.1220 -5.3881 3 948.2276579 89503 303963067 962868 a-Alanine, conf. II
178307.5956 17.9470 -5.3131 3 328.3350375 89503 30362 557 62 458 a-Alanine, conf. II
178307.5956 17.9470 -4.7014 3 328.3350375 89503 30362 557 62 558 a-Alanine, conf. II
178307.5956 17.9470 -4.7014 3 328.3350375 89503 30362 657 62 458 a-Alanine, conf. II
178307.5956 17.9470 -5.3131 3 328.3350375 89503 30362 657 62 558 a-Alanine, conf. II
178316.0715 0.1395 -4.7287 3 56.7584141 89503 303231211 221112 a-Alanine, conf. II
178338.7648 7.5937 -5.2825 3 539.1439453 89503 303751560 751461 a-Alanine, conf. II
178338.7648 7.5937 -4.7284 3 539.1439453 89503 303751560 751561 a-Alanine, conf. II
178338.7648 7.5937 -4.7284 3 539.1439453 89503 303751660 751461 a-Alanine, conf. II
178338.7648 7.5937 -5.2825 3 539.1439453 89503 303751660 751561 a-Alanine, conf. II
178399.7162 0.6403 -3.1361 3 111.6223225 89503 30337 235 36 234 a-Alanine, conf. II
178399.7162 0.6403 -4.2647 3 111.6223225 89503 30337 235 36 334 a-Alanine, conf. II
178399.7162 0.6403 -4.2647 3 111.6223225 89503 30337 335 36 234 a-Alanine, conf. II
178399.7162 0.6403 -3.1361 3 111.6223225 89503 30337 335 36 334 a-Alanine, conf. II
178416.5056 8.7252 -5.2555 3 530.4431393 89503 303654322 654223 a-Alanine, conf. II
178416.5056 8.7252 -5.2555 3 530.4431393 89503 303654323 654224 a-Alanine, conf. II
178478.7388 12.9883 -5.2346 3 470.5360429 89503 303711259 711160 a-Alanine, conf. II
178478.7388 12.9883 -4.6621 3 470.5360429 89503 303711259 711260 a-Alanine, conf. II
178478.7388 12.9883 -4.6621 3 470.5360429 89503 303711359 711160 a-Alanine, conf. II
178478.7388 12.9883 -5.2346 3 470.5360429 89503 303711359 711260 a-Alanine, conf. II
178543.4434 3.4407 -5.1041 3 290.6050309 89503 303512526 512329 a-Alanine, conf. II
178645.5677 21.9808 -5.3640 3 313.9582327 89503 303542232 542035 a-Alanine, conf. II
178659.5291 33.4347 -5.2242 3 462.8245393 89503 303652937 652738 a-Alanine, conf. II
178697.2796 0.1791 -4.3668 3 109.5200213 89503 30335 530 34 629 a-Alanine, conf. II
178697.2796 0.1791 -3.1753 3 109.5200213 89503 30335 630 34 629 a-Alanine, conf. II
178697.2797 0.1791 -3.1753 3 109.5200213 89503 30335 530 34 529 a-Alanine, conf. II
178697.2797 0.1791 -4.3668 3 109.5200213 89503 30335 630 34 529 a-Alanine, conf. II
178718.9045 0.0488 -4.6978 3 97.7009189 89503 303311121 301020 a-Alanine, conf. II
178746.3857 0.1221 -4.6777 3 45.2479129 89503 303211011 20 812 a-Alanine, conf. II
178753.7382 0.0841 -3.2574 3 95.2514183 89503 303301317 291316 a-Alanine, conf. II
178768.9197 8.7721 -5.2462 3 518.1396387 89503 303644321 644222 a-Alanine, conf. II
178768.9197 8.7721 -5.2462 3 518.1396387 89503 303644322 644223 a-Alanine, conf. II
178774.5879 0.1458 -5.0658 3 54.1660141 89503 303231013 22 914 a-Alanine, conf. II
178838.8757 9.5227 -5.4083 3 670.0737453 89503 303754431 754332 a-Alanine, conf. II
178838.8757 9.5227 -5.4083 3 670.0737453 89503 303754432 754333 a-Alanine, conf. II
178940.2804 2.1082 -5.2716 3 179.3570237 89503 303392317 392118 a-Alanine, conf. II
178941.3197 2.1080 -5.2716 3 179.3569237 89503 303392316 392119 a-Alanine, conf. II
178971.3315 1.0041 -5.3807 3 189.8723255 89503 303421825 411922 a-Alanine, conf. II
178973.6593 0.1150 -3.3122 3 106.4998189 89503 303311616 301615 a-Alanine, conf. II
179004.1781 0.1164 -3.3120 3 106.5003189 89503 303311615 301614 a-Alanine, conf. II
179038.1860 18.4720 -5.3718 3 312.3806369 89503 30361 457 61 358 a-Alanine, conf. II
179038.1860 18.4720 -4.7549 3 312.3806369 89503 30361 457 61 458 a-Alanine, conf. II
179038.1860 18.4720 -4.7549 3 312.3806369 89503 30361 557 61 358 a-Alanine, conf. II
179038.1860 18.4720 -5.3718 3 312.3806369 89503 30361 557 61 458 a-Alanine, conf. II
179063.8622 2.9576 -5.3339 3 591.5085471 89503 303781761 781662 a-Alanine, conf. II
179063.8622 2.9576 -4.7922 3 591.5085471 89503 303781761 781762 a-Alanine, conf. II
179063.8622 2.9576 -4.7922 3 591.5085471 89503 303781861 781662 a-Alanine, conf. II
179063.8622 2.9576 -5.3339 3 591.5085471 89503 303781861 781762 a-Alanine, conf. II
179082.4493 17.1984 -5.2340 3 388.5076399 89503 30366 858 66 759 a-Alanine, conf. II
179082.4493 17.1984 -4.6383 3 388.5076399 89503 30366 858 66 859 a-Alanine, conf. II
179082.4493 17.1984 -4.6383 3 388.5076399 89503 30366 958 66 759 a-Alanine, conf. II
179082.4493 17.1984 -5.2340 3 388.5076399 89503 30366 958 66 859 a-Alanine, conf. II
179103.6761 8.8258 -5.2383 3 506.0311381 89503 303634320 634221 a-Alanine, conf. II
179103.6761 8.8258 -5.2383 3 506.0311381 89503 303634321 634222 a-Alanine, conf. II
179137.2891 56.1813 -5.2661 3 883.7889561 89503 303932766 932767 a-Alanine, conf. II
179137.2906 56.1813 -5.2661 3 883.7889561 89503 303932866 932667 a-Alanine, conf. II
179214.0070 0.0816 -4.5090 3 105.5275201 89503 30333 825 32 924 a-Alanine, conf. II
179215.3537 0.0816 -3.2099 3 105.5275201 89503 30333 925 32 924 a-Alanine, conf. II
179217.4927 0.0816 -3.2098 3 105.5274201 89503 30333 825 32 824 a-Alanine, conf. II
179218.8394 0.0816 -4.5090 3 105.5274201 89503 30333 925 32 824 a-Alanine, conf. II
179256.1147 1.8275 -5.0650 3 215.2265273 89503 303451728 441925 a-Alanine, conf. II
179266.6387 27.5732 -5.2491 3 416.1144375 89503 303622636 622439 a-Alanine, conf. II
179276.1979 4.3943 -5.1365 3 394.8040363 89503 303602733 602536 a-Alanine, conf. II
179370.4887 9.4307 -5.3892 3 655.8205447 89503 303744430 744331 a-Alanine, conf. II
179370.4887 9.4307 -5.3892 3 655.8205447 89503 303744431 744332 a-Alanine, conf. II
179375.9933 92.8337 -5.3883 3 596.3269447 89503 303743243 743044 a-Alanine, conf. II
179421.5194 8.8852 -5.2317 3 494.1175375 89503 303624319 624220 a-Alanine, conf. II
179421.5194 8.8852 -5.2317 3 494.1175375 89503 303624320 624221 a-Alanine, conf. II
179439.1409 0.4015 -4.4869 3 51.9235123 89503 3032016 4 1915 5 a-Alanine, conf. II
179439.1409 0.4015 -4.4869 3 51.9235123 89503 3032016 5 1915 4 a-Alanine, conf. II
179494.1612 14.7609 -5.2292 3 452.4540423 89503 303701159 701060 a-Alanine, conf. II
179494.1612 14.7609 -4.6505 3 452.4540423 89503 303701159 701160 a-Alanine, conf. II
179494.1612 14.7609 -4.6505 3 452.4540423 89503 303701259 701060 a-Alanine, conf. II
179494.1612 14.7609 -5.2292 3 452.4540423 89503 303701259 701160 a-Alanine, conf. II
179503.8089 10.1345 -5.2669 3 520.1349447 89503 303741460 741361 a-Alanine, conf. II
179503.8089 10.1345 -4.7060 3 520.1349447 89503 303741460 741461 a-Alanine, conf. II
179503.8089 10.1345 -4.7060 3 520.1349447 89503 303741560 741361 a-Alanine, conf. II
179503.8089 10.1345 -5.2669 3 520.1349447 89503 303741560 741461 a-Alanine, conf. II
179504.1853 48.2521 -5.2721 3 505.4421411 89503 303683039 682840 a-Alanine, conf. II
179575.9697 4.4827 -5.3964 3 645.9231489 89503 303811962 811863 a-Alanine, conf. II
179575.9697 4.4827 -4.8675 3 645.9231489 89503 303811962 811963 a-Alanine, conf. II
179575.9697 4.4827 -4.8675 3 645.9231489 89503 303812062 811863 a-Alanine, conf. II
179575.9697 4.4827 -5.3964 3 645.9231489 89503 303812062 811963 a-Alanine, conf. II
179661.7202 0.1956 -5.1510 3 31.5749105 89503 3031711 6 16 9 7 a-Alanine, conf. II
179664.5512 38.4634 -5.1529 3 821.3222543 89503 303902565 902566 a-Alanine, conf. II
179664.5514 38.4634 -5.1529 3 821.3222543 89503 303902665 902466 a-Alanine, conf. II
179685.6597 0.0355 -3.2280 3 93.0966183 89503 303301119 291118 a-Alanine, conf. II
179723.1581 8.9495 -5.2266 3 482.3984369 89503 303614318 614219 a-Alanine, conf. II
179723.1581 8.9495 -5.2266 3 482.3984369 89503 303614319 614220 a-Alanine, conf. II
179730.9199 67.8461 -5.3271 3 549.9442429 89503 303713141 712942 a-Alanine, conf. II
179734.8895 18.8781 -4.8370 3 296.6617363 89503 30360 357 60 358 a-Alanine, conf. II
179734.8895 18.8781 -4.8370 3 296.6617363 89503 30360 457 60 258 a-Alanine, conf. II
179754.0710 0.0302 -3.2373 3 99.3902189 89503 303311220 301219 a-Alanine, conf. II
179756.3036 1.4421 -5.3906 3 200.4346261 89503 303431925 422022 a-Alanine, conf. II
179775.0270 2.0922 -5.4416 3 222.6116273 89503 303452125 442222 a-Alanine, conf. II
179800.9691 0.1962 -5.1505 3 31.5702105 89503 3031711 7 16 9 8 a-Alanine, conf. II
179831.6334 1.7935 -5.4136 3 211.3503267 89503 303442025 432122 a-Alanine, conf. II
179834.0272 0.9728 -3.1154 3 113.8879231 89503 30338 137 37 136 a-Alanine, conf. II
179834.0272 0.9728 -4.2281 3 113.8879231 89503 30338 137 37 236 a-Alanine, conf. II
179834.0272 0.9728 -4.2281 3 113.8879231 89503 30338 237 37 136 a-Alanine, conf. II
179834.0272 0.9728 -3.1154 3 113.8879231 89503 30338 237 37 236 a-Alanine, conf. II
179859.5840 13.0614 -4.9532 3 702.3735507 89503 303842163 842164 a-Alanine, conf. II
179859.5840 13.0614 -4.9532 3 702.3735507 89503 303842263 842064 a-Alanine, conf. II
179877.0886 9.3656 -5.3711 3 641.7649441 89503 303734429 734330 a-Alanine, conf. II
179877.0886 9.3656 -5.3711 3 641.7649441 89503 303734430 734331 a-Alanine, conf. II
179896.4151 24.2732 -5.0485 3 760.8450525 89503 303872364 872365 a-Alanine, conf. II
179896.4152 24.2732 -5.0485 3 760.8450525 89503 303872464 872265 a-Alanine, conf. II
179925.4199 18.1861 -5.2516 3 371.5962393 89503 30365 758 65 659 a-Alanine, conf. II
179925.4199 18.1861 -4.6503 3 371.5962393 89503 30365 758 65 759 a-Alanine, conf. II
179925.4199 18.1861 -4.6503 3 371.5962393 89503 30365 858 65 659 a-Alanine, conf. II
179925.4199 18.1861 -5.2516 3 371.5962393 89503 30365 858 65 759 a-Alanine, conf. II
179940.6810 0.1499 -4.9267 3 38.4992123 89503 30320 713 19 514 a-Alanine, conf. II
179948.8570 0.0918 -3.2845 3 104.4689189 89503 303311517 301516 a-Alanine, conf. II
180009.2678 9.0178 -5.2230 3 470.8735363 89503 303604317 604218 a-Alanine, conf. II
180009.2678 9.0178 -5.2230 3 470.8735363 89503 303604318 604219 a-Alanine, conf. II
180010.1312 0.0992 -5.0753 3 33.7305117 89503 30319 713 18 514 a-Alanine, conf. II
180092.5403 18.7284 -5.4102 3 290.6031315 89503 303522131 521934 a-Alanine, conf. II
180116.2568 2.2388 -5.4398 3 222.6110273 89503 303452124 442223 a-Alanine, conf. II
180124.4800 0.2955 -3.1550 3 112.3924219 89503 30336 432 35 431 a-Alanine, conf. II
180124.4800 0.2955 -4.3214 3 112.3924219 89503 30336 432 35 531 a-Alanine, conf. II
180124.4800 0.2955 -4.3214 3 112.3924219 89503 30336 532 35 431 a-Alanine, conf. II
180124.4800 0.2955 -3.1550 3 112.3924219 89503 30336 532 35 531 a-Alanine, conf. II
180190.2542 0.7563 -4.4853 3 162.2668195 89503 3033231 1 3131 0 a-Alanine, conf. II
180190.2542 0.7563 -4.4853 3 162.2668195 89503 3033231 2 3131 1 a-Alanine, conf. II
180197.7407 2.1355 -5.3062 3 171.8760231 89503 303382316 382117 a-Alanine, conf. II
180198.0819 2.1354 -5.3062 3 171.8760231 89503 303382315 382118 a-Alanine, conf. II
180203.3534 0.1676 -4.7645 3 43.4683129 89503 30321 813 20 614 a-Alanine, conf. II
180208.8409 0.1009 -3.2832 3 104.4747189 89503 303311516 301515 a-Alanine, conf. II
180233.0480 2.4808 -5.1521 3 231.3072273 89503 303452422 452223 a-Alanine, conf. II
180273.1113 2.4655 -5.1519 3 231.3058273 89503 303452421 452224 a-Alanine, conf. II
180280.4935 9.0896 -5.2212 3 459.5425357 89503 303594316 594217 a-Alanine, conf. II
180280.4935 9.0896 -5.2212 3 459.5425357 89503 303594317 594218 a-Alanine, conf. II
180300.0547 0.7010 -4.1815 3 157.8845195 89503 3033230 2 3130 1 a-Alanine, conf. II
180300.0547 0.7010 -4.1815 3 157.8845195 89503 3033230 3 3130 2 a-Alanine, conf. II
180337.2233 5.9887 -5.3130 3 571.8036465 89503 303771661 771562 a-Alanine, conf. II
180337.2233 5.9887 -4.7641 3 571.8036465 89503 303771661 771662 a-Alanine, conf. II
180337.2233 5.9887 -4.7641 3 571.8036465 89503 303771761 771562 a-Alanine, conf. II
180337.2233 5.9887 -5.3130 3 571.8036465 89503 303771761 771662 a-Alanine, conf. II
180359.8146 9.3236 -5.3539 3 627.9066435 89503 303724428 724329 a-Alanine, conf. II
180359.8146 9.3236 -5.3539 3 627.9066435 89503 303724429 724330 a-Alanine, conf. II
180399.2785 19.1725 -4.9710 3 281.1793357 89503 30359 257 59 258 a-Alanine, conf. II
180399.2785 19.1725 -4.9710 3 281.1793357 89503 30359 357 59 158 a-Alanine, conf. II
180421.9293 0.6474 -4.0031 3 153.6495195 89503 3033229 3 3129 2 a-Alanine, conf. II
180421.9293 0.6474 -4.0031 3 153.6495195 89503 3033229 4 3129 3 a-Alanine, conf. II
180434.3014 0.6499 -5.4286 3 187.7540255 89503 303421726 411823 a-Alanine, conf. II
180460.3757 4.5436 -5.1050 3 335.1712333 89503 303552629 552432 a-Alanine, conf. II
180463.0079 16.3378 -5.2281 3 434.5978417 89503 303691059 69 960 a-Alanine, conf. II
180463.0079 16.3378 -4.6432 3 434.5978417 89503 303691059 691060 a-Alanine, conf. II
180463.0079 16.3378 -4.6432 3 434.5978417 89503 303691159 69 960 a-Alanine, conf. II
180463.0079 16.3378 -5.2281 3 434.5978417 89503 303691159 691060 a-Alanine, conf. II
180473.0217 67.0711 -5.3342 3 924.5028573 89503 303952867 952868 a-Alanine, conf. II
180473.0247 67.0711 -5.3342 3 924.5028573 89503 303952967 952768 a-Alanine, conf. II
180512.5710 0.1052 -4.4440 3 109.0534207 89503 30334 727 33 826 a-Alanine, conf. II
180512.6004 0.1052 -3.1913 3 109.0534207 89503 30334 827 33 826 a-Alanine, conf. II
180512.6527 0.1052 -3.1913 3 109.0534207 89503 30334 727 33 726 a-Alanine, conf. II
180512.6821 0.1052 -4.4440 3 109.0534207 89503 30334 827 33 726 a-Alanine, conf. II
180537.4521 9.1642 -5.2213 3 448.4053351 89503 303584315 584216 a-Alanine, conf. II
180537.4521 9.1642 -5.2213 3 448.4053351 89503 303584316 584217 a-Alanine, conf. II
180557.7092 0.5956 -3.8762 3 149.5624195 89503 3033228 4 3128 3 a-Alanine, conf. II
180557.7092 0.5956 -3.8762 3 149.5624195 89503 3033228 5 3128 4 a-Alanine, conf. II
180614.8155 12.4454 -5.2542 3 501.3472441 89503 303731360 731261 a-Alanine, conf. II
180614.8155 12.4454 -4.6868 3 501.3472441 89503 303731360 731361 a-Alanine, conf. II
180614.8155 12.4454 -4.6868 3 501.3472441 89503 303731460 731261 a-Alanine, conf. II
180614.8155 12.4454 -5.2542 3 501.3472441 89503 303731460 731361 a-Alanine, conf. II
180689.5820 0.3106 -4.5279 3 53.6562129 89503 3032115 7 2014 6 a-Alanine, conf. II
180689.5957 0.3106 -4.5279 3 53.6562129 89503 3032115 6 2014 7 a-Alanine, conf. II
180709.6047 0.5456 -3.7776 3 145.6236195 89503 3033227 5 3127 4 a-Alanine, conf. II
180709.6047 0.5456 -3.7776 3 145.6236195 89503 3033227 6 3127 5 a-Alanine, conf. II
180729.8666 19.0242 -5.2788 3 354.9164387 89503 30364 658 64 559 a-Alanine, conf. II
180729.8666 19.0242 -4.6720 3 354.9164387 89503 30364 658 64 659 a-Alanine, conf. II
180729.8666 19.0242 -4.6720 3 354.9164387 89503 30364 758 64 559 a-Alanine, conf. II
180729.8666 19.0242 -5.2788 3 354.9164387 89503 30364 758 64 659 a-Alanine, conf. II
180780.7341 9.2410 -5.2235 3 437.4615345 89503 303574314 574215 a-Alanine, conf. II
180780.7341 9.2410 -5.2235 3 437.4615345 89503 303574315 574216 a-Alanine, conf. II
180799.8198 0.1385 -4.9100 3 37.1929117 89503 303191010 18 811 a-Alanine, conf. II
180817.3872 1.9344 -5.3336 3 171.8186243 89503 303401723 391822 a-Alanine, conf. II
180819.7353 9.3014 -5.3377 3 614.2452429 89503 303714427 714328 a-Alanine, conf. II
180819.7353 9.3014 -5.3377 3 614.2452429 89503 303714428 714329 a-Alanine, conf. II
180877.6634 3.4958 -5.1106 3 280.6831303 89503 303502526 502327 a-Alanine, conf. II
180880.3105 0.4974 -3.6972 3 141.8339195 89503 3033226 6 3126 5 a-Alanine, conf. II
180880.3105 0.4974 -3.6972 3 141.8339195 89503 3033226 7 3126 6 a-Alanine, conf. II
180903.6749 2.1561 -5.4077 3 211.3484267 89503 303442024 432123 a-Alanine, conf. II
180906.6557 0.0693 -3.2595 3 102.6321189 89503 303311418 301417 a-Alanine, conf. II
180966.8886 1.6377 -5.3708 3 625.5288483 89503 303801862 801763 a-Alanine, conf. II
180966.8886 1.6377 -4.8344 3 625.5288483 89503 303801862 801863 a-Alanine, conf. II
180966.8886 1.6377 -4.8344 3 625.5288483 89503 303801962 801763 a-Alanine, conf. II
180966.8886 1.6377 -5.3708 3 625.5288483 89503 303801962 801863 a-Alanine, conf. II
181010.9057 9.3197 -5.2279 3 426.7109339 89503 303564313 564214 a-Alanine, conf. II
181010.9057 9.3197 -5.2279 3 426.7109339 89503 303564314 564215 a-Alanine, conf. II
181032.8228 19.3620 -5.2306 3 265.9346351 89503 30358 157 58 158 a-Alanine, conf. II
181032.8228 19.3620 -5.2306 3 265.9346351 89503 30358 257 58 058 a-Alanine, conf. II
181073.1483 0.4511 -3.6293 3 138.1940195 89503 3033225 7 3125 6 a-Alanine, conf. II
181073.1483 0.4511 -3.6293 3 138.1940195 89503 3033225 8 3125 7 a-Alanine, conf. II
181120.2217 0.0457 -3.2419 3 100.9687189 89503 303311319 301318 a-Alanine, conf. II
181121.0938 0.0489 -4.6544 3 103.6623195 89503 303321022 311121 a-Alanine, conf. II
181129.8125 47.0705 -5.2163 3 860.7131555 89503 303922666 922667 a-Alanine, conf. II
181129.8128 47.0705 -5.2163 3 860.7131555 89503 303922766 922567 a-Alanine, conf. II
181228.5102 9.3998 -5.2349 3 416.1533333 89503 303554312 554213 a-Alanine, conf. II
181228.5102 9.3998 -5.2349 3 416.1533333 89503 303554313 554214 a-Alanine, conf. II
181252.8178 3.2498 -5.1089 3 280.6707303 89503 303502525 502328 a-Alanine, conf. II
181257.8558 9.2963 -5.3225 3 600.7805423 89503 303704426 704327 a-Alanine, conf. II
181257.8558 9.2963 -5.3225 3 600.7805423 89503 303704427 704328 a-Alanine, conf. II
181261.6063 1.4207 -3.0950 3 115.9712237 89503 30339 039 38 038 a-Alanine, conf. II
181261.6063 1.4207 -4.1937 3 115.9712237 89503 30339 039 38 138 a-Alanine, conf. II
181261.6063 1.4207 -4.1937 3 115.9712237 89503 30339 139 38 038 a-Alanine, conf. II
181261.6063 1.4207 -3.0950 3 115.9712237 89503 30339 139 38 138 a-Alanine, conf. II
181292.2661 0.4066 -3.5707 3 134.7048195 89503 3033224 8 3124 7 a-Alanine, conf. II
181292.2661 0.4066 -3.5707 3 134.7048195 89503 3033224 9 3124 8 a-Alanine, conf. II
181336.3394 2.1698 -5.3448 3 164.5989225 89503 303372315 372116 a-Alanine, conf. II
181336.4462 2.1697 -5.3448 3 164.5989225 89503 303372314 372117 a-Alanine, conf. II
181378.8660 8.0896 -4.9156 3 681.2971501 89503 303832063 832064 a-Alanine, conf. II
181378.8660 8.0896 -4.9156 3 681.2971501 89503 303832163 831964 a-Alanine, conf. II
181387.7757 17.7291 -5.2319 3 416.9692411 89503 30368 959 68 860 a-Alanine, conf. II
181387.7757 17.7291 -4.6411 3 416.9692411 89503 30368 959 68 960 a-Alanine, conf. II
181387.7757 17.7291 -4.6411 3 416.9692411 89503 303681059 68 860 a-Alanine, conf. II
181387.7757 17.7291 -5.2319 3 416.9692411 89503 303681059 68 960 a-Alanine, conf. II
181425.1835 0.1508 -4.5905 3 48.6055135 89503 30322 913 21 714 a-Alanine, conf. II
181434.0699 9.4809 -5.2449 3 405.7884327 89503 303544311 544212 a-Alanine, conf. II
181434.0699 9.4809 -5.2449 3 405.7884327 89503 303544312 544213 a-Alanine, conf. II
181450.6531 10.7602 -5.1319 3 371.5814351 89503 303582732 582533 a-Alanine, conf. II
181481.6006 30.9597 -5.1070 3 798.9046537 89503 303892465 892466 a-Alanine, conf. II
181481.6006 30.9597 -5.1070 3 798.9046537 89503 303892565 892366 a-Alanine, conf. II
181497.6677 19.7212 -5.3188 3 338.4694381 89503 30363 558 63 459 a-Alanine, conf. II
181497.6677 19.7212 -4.7066 3 338.4694381 89503 30363 558 63 559 a-Alanine, conf. II
181497.6677 19.7212 -4.7066 3 338.4694381 89503 30363 658 63 459 a-Alanine, conf. II
181497.6677 19.7212 -5.3188 3 338.4694381 89503 30363 658 63 559 a-Alanine, conf. II
181498.3430 13.6725 -5.4067 3 284.5143315 89503 303521834 512031 a-Alanine, conf. II
181525.1429 0.0478 -3.2183 3 103.6623195 89503 303321122 311121 a-Alanine, conf. II
181542.9234 0.3639 -3.5192 3 131.3677195 89503 3033223 9 3123 8 a-Alanine, conf. II
181542.9234 0.3639 -3.5192 3 131.3677195 89503 303322310 3123 9 a-Alanine, conf. II
181551.1083 8.9000 -5.2944 3 552.3166459 89503 303761561 761462 a-Alanine, conf. II
181551.1083 8.9000 -4.7387 3 552.3166459 89503 303761561 761562 a-Alanine, conf. II
181551.1083 8.9000 -4.7387 3 552.3166459 89503 303761661 761462 a-Alanine, conf. II
181551.1083 8.9000 -5.2944 3 552.3166459 89503 303761661 761562 a-Alanine, conf. II
181556.8709 18.1222 -5.0066 3 739.0940519 89503 303862264 862265 a-Alanine, conf. II
181556.8709 18.1222 -5.0066 3 739.0940519 89503 303862364 862165 a-Alanine, conf. II
181559.7000 0.4821 -3.1347 3 115.0757225 89503 30337 334 36 333 a-Alanine, conf. II
181559.7000 0.4821 -4.2801 3 115.0757225 89503 30337 334 36 433 a-Alanine, conf. II
181559.7000 0.4821 -4.2801 3 115.0757225 89503 30337 434 36 333 a-Alanine, conf. II
181559.7000 0.4821 -3.1347 3 115.0757225 89503 30337 434 36 433 a-Alanine, conf. II
181603.0317 26.1183 -5.2426 3 443.8331387 89503 303642737 642540 a-Alanine, conf. II
181628.0871 9.5628 -5.2582 3 395.6159321 89503 303534310 534211 a-Alanine, conf. II
181628.0871 9.5628 -5.2582 3 395.6159321 89503 303534311 534212 a-Alanine, conf. II
181674.9288 14.5314 -5.2447 3 482.7825435 89503 303721260 721161 a-Alanine, conf. II
181674.9288 14.5314 -4.6710 3 482.7825435 89503 303721260 721261 a-Alanine, conf. II
181674.9288 14.5314 -4.6710 3 482.7825435 89503 303721360 721161 a-Alanine, conf. II
181674.9288 14.5314 -5.2447 3 482.7825435 89503 303721360 721261 a-Alanine, conf. II
181675.1231 9.3058 -5.3083 3 587.5120417 89503 303694425 694326 a-Alanine, conf. II
181675.1231 9.3058 -5.3083 3 587.5120417 89503 303694426 694327 a-Alanine, conf. II
181752.0867 79.3935 -5.4050 3 966.0794585 89503 303972968 972969 a-Alanine, conf. II
181752.0924 79.3934 -5.4050 3 966.0794585 89503 303973068 972869 a-Alanine, conf. II
181811.0454 9.6451 -5.2754 3 385.6358315 89503 3035243 9 524210 a-Alanine, conf. II
181811.0454 9.6451 -5.2754 3 385.6358315 89503 303524310 524211 a-Alanine, conf. II
181831.9117 0.3232 -3.4734 3 128.1839195 89503 303322210 3122 9 a-Alanine, conf. II
181831.9117 0.3232 -3.4734 3 128.1839195 89503 303322211 312210 a-Alanine, conf. II
181838.9556 0.2368 -4.5770 3 55.7649135 89503 3032214 9 2113 8 a-Alanine, conf. II
181840.3944 0.2368 -4.5770 3 55.7648135 89503 3032214 8 2113 9 a-Alanine, conf. II
181855.0346 0.0684 -3.2191 3 94.0661183 89503 303301218 291217 a-Alanine, conf. II
181885.0417 0.1428 -4.3889 3 112.3673213 89503 30335 629 34 728 a-Alanine, conf. II
181885.0422 0.1428 -3.1721 3 112.3673213 89503 30335 729 34 728 a-Alanine, conf. II
181885.0431 0.1428 -3.1721 3 112.3673213 89503 30335 629 34 628 a-Alanine, conf. II
181885.0435 0.1428 -4.3889 3 112.3673213 89503 30335 729 34 628 a-Alanine, conf. II
181891.7169 0.0894 -4.7724 3 105.3861195 89503 303321121 311220 a-Alanine, conf. II
181905.2209 0.1244 -4.5637 3 49.4793135 89503 303221012 21 813 a-Alanine, conf. II
181971.8344 6.4309 -5.2011 3 242.9227291 89503 303481731 471928 a-Alanine, conf. II
181983.4109 9.7276 -5.2973 3 375.8477309 89503 3035143 8 5142 9 a-Alanine, conf. II
181983.4109 9.7276 -5.2973 3 375.8477309 89503 3035143 9 514210 a-Alanine, conf. II
181989.7724 0.0485 -3.2158 3 103.6333195 89503 303321022 311021 a-Alanine, conf. II
182030.8291 5.3871 -5.1252 3 383.0278357 89503 303592732 592535 a-Alanine, conf. II
182072.4314 9.3279 -5.2952 3 574.4394411 89503 303684424 684325 a-Alanine, conf. II
182072.4314 9.3279 -5.2952 3 574.4394411 89503 303684425 684326 a-Alanine, conf. II
182120.2114 0.1325 -4.7416 3 61.2599147 89503 303241213 231112 a-Alanine, conf. II
182143.2101 2.4308 -5.1702 3 222.6116267 89503 303442421 442222 a-Alanine, conf. II
182145.6335 9.8102 -5.3250 3 366.2514303 89503 3035043 7 5042 8 a-Alanine, conf. II
182145.6335 9.8102 -5.3250 3 366.2514303 89503 3035043 8 5042 9 a-Alanine, conf. II
182158.8498 2.4253 -5.1701 3 222.6110267 89503 303442420 442223 a-Alanine, conf. II
182168.1986 0.2844 -3.4322 3 125.1556195 89503 303322112 312111 a-Alanine, conf. II
182168.1987 0.2844 -3.4322 3 125.1556195 89503 303322111 312110 a-Alanine, conf. II
182230.5660 20.2852 -5.3771 3 322.2564375 89503 30362 458 62 359 a-Alanine, conf. II
182230.5660 20.2852 -4.7597 3 322.2564375 89503 30362 458 62 459 a-Alanine, conf. II
182230.5660 20.2852 -4.7597 3 322.2564375 89503 30362 558 62 359 a-Alanine, conf. II
182230.5660 20.2852 -5.3771 3 322.2564375 89503 30362 558 62 459 a-Alanine, conf. II
182254.1151 5.5941 -5.1084 3 324.4608327 89503 303542629 542430 a-Alanine, conf. II
182270.7540 18.9447 -5.2417 3 399.5693405 89503 30367 859 67 760 a-Alanine, conf. II
182270.7540 18.9447 -4.6452 3 399.5693405 89503 30367 859 67 860 a-Alanine, conf. II
182270.7540 18.9447 -4.6452 3 399.5693405 89503 30367 959 67 760 a-Alanine, conf. II
182270.7540 18.9447 -5.2417 3 399.5693405 89503 30367 959 67 860 a-Alanine, conf. II
182292.0052 4.0030 -5.3473 3 605.3491477 89503 303791762 791663 a-Alanine, conf. II
182292.0052 4.0030 -4.8037 3 605.3491477 89503 303791762 791763 a-Alanine, conf. II
182292.0052 4.0030 -4.8037 3 605.3491477 89503 303791862 791663 a-Alanine, conf. II
182292.0052 4.0030 -5.3473 3 605.3491477 89503 303791862 791763 a-Alanine, conf. II
182298.1473 9.8925 -5.3597 3 356.8467297 89503 3034943 6 4942 7 a-Alanine, conf. II
182298.1473 9.8925 -5.3597 3 356.8467297 89503 3034943 7 4942 8 a-Alanine, conf. II
182367.8763 2.2093 -5.3878 3 157.5245219 89503 303362314 362115 a-Alanine, conf. II
182367.9081 2.2093 -5.3878 3 157.5245219 89503 303362313 362116 a-Alanine, conf. II
182393.8215 0.0536 -4.6473 3 103.6333195 89503 303321122 311021 a-Alanine, conf. II
182425.5667 0.5135 -5.0504 3 121.3459207 89503 303341321 331420 a-Alanine, conf. II
182441.3717 9.9745 -5.4038 3 347.6334291 89503 3034843 5 4842 6 a-Alanine, conf. II
182441.3717 9.9745 -5.4038 3 347.6334291 89503 3034843 6 4842 7 a-Alanine, conf. II
182446.4399 1.2813 -5.2357 3 145.4686225 89503 303371522 361621 a-Alanine, conf. II
182450.6267 9.3608 -5.2832 3 561.5625405 89503 303674423 674324 a-Alanine, conf. II
182450.6267 9.3608 -5.2832 3 561.5625405 89503 303674424 674325 a-Alanine, conf. II
182457.9051 0.6236 -4.4036 3 52.9176117 89503 3031918 1 1817 2 a-Alanine, conf. II
182457.9051 0.6236 -4.4036 3 52.9176117 89503 3031918 2 1817 1 a-Alanine, conf. II
182480.3517 0.1083 -3.2514 3 102.6780189 89503 303311417 301416 a-Alanine, conf. II
182504.9433 4.0763 -5.1829 3 446.7301387 89503 303642836 642639 a-Alanine, conf. II
182517.4056 10.9065 -5.2086 3 459.4878393 89503 303652837 652640 a-Alanine, conf. II
182541.7631 56.8799 -5.2824 3 900.9708567 89503 303942767 942768 a-Alanine, conf. II
182541.7637 56.8799 -5.2824 3 900.9708567 89503 303942867 942668 a-Alanine, conf. II
182563.9614 0.2479 -3.3948 3 122.2851195 89503 303322013 312012 a-Alanine, conf. II
182563.9638 0.2479 -3.3948 3 122.2851195 89503 303322012 312011 a-Alanine, conf. II
182574.8606 0.0755 -4.5499 3 107.7093201 89503 30333 924 321023 a-Alanine, conf. II
182592.4975 0.0756 -3.2031 3 107.7093201 89503 303331024 321023 a-Alanine, conf. II
182617.5245 0.0756 -3.2030 3 107.7079201 89503 30333 924 32 923 a-Alanine, conf. II
182635.1614 0.0756 -4.5495 3 107.7079201 89503 303331024 32 923 a-Alanine, conf. II
182687.0030 16.4021 -5.2389 3 464.4422429 89503 303711160 711061 a-Alanine, conf. II
182687.0030 16.4021 -4.6590 3 464.4422429 89503 303711160 711161 a-Alanine, conf. II
182687.0030 16.4021 -4.6590 3 464.4422429 89503 303711260 711061 a-Alanine, conf. II
182687.0030 16.4021 -5.2389 3 464.4422429 89503 303711260 711161 a-Alanine, conf. II
182709.1687 11.5758 -5.2784 3 533.0493453 89503 303751461 751362 a-Alanine, conf. II
182709.1687 11.5758 -4.7161 3 533.0493453 89503 303751461 751462 a-Alanine, conf. II
182709.1687 11.5758 -4.7161 3 533.0493453 89503 303751561 751362 a-Alanine, conf. II
182709.1687 11.5758 -5.2784 3 533.0493453 89503 303751561 751462 a-Alanine, conf. II
182724.0477 0.1788 -4.6411 3 58.2753141 89503 303231311 221210 a-Alanine, conf. II
182798.5645 0.1791 -4.6408 3 58.2733141 89503 303231310 221211 a-Alanine, conf. II
182810.5107 9.4030 -5.2724 3 548.8809399 89503 303664422 664323 a-Alanine, conf. II
182810.5107 9.4030 -5.2724 3 548.8809399 89503 303664423 664324 a-Alanine, conf. II
182824.8971 3.6864 -5.4111 3 660.4315495 89503 303821963 821864 a-Alanine, conf. II
182824.8971 3.6864 -4.8801 3 660.4315495 89503 303821963 821964 a-Alanine, conf. II
182824.8971 3.6864 -4.8801 3 660.4315495 89503 303822063 821864 a-Alanine, conf. II
182824.8971 3.6864 -5.4111 3 660.4315495 89503 303822063 821964 a-Alanine, conf. II
182852.2735 2.2400 -5.3723 3 200.4280261 89503 303431924 422023 a-Alanine, conf. II
182899.9233 0.1289 -4.8851 3 59.8737147 89503 303241113 231014 a-Alanine, conf. II
182930.1835 20.7241 -4.8415 3 306.2787369 89503 30361 358 61 359 a-Alanine, conf. II
182930.1835 20.7241 -4.8415 3 306.2787369 89503 30361 458 61 259 a-Alanine, conf. II
182995.5285 0.7550 -3.1146 3 117.5730231 89503 30338 236 37 235 a-Alanine, conf. II
182995.5285 0.7550 -4.2421 3 117.5730231 89503 30338 236 37 335 a-Alanine, conf. II
182995.5285 0.7550 -4.2421 3 117.5730231 89503 30338 336 37 235 a-Alanine, conf. II
182995.5285 0.7550 -3.1146 3 117.5730231 89503 30338 336 37 335 a-Alanine, conf. II
183016.1686 38.6550 -5.1684 3 837.8352549 89503 303912566 912567 a-Alanine, conf. II
183016.1686 38.6550 -5.1684 3 837.8352549 89503 303912666 912467 a-Alanine, conf. II
183036.3318 0.2137 -3.3606 3 119.5757195 89503 303321914 311913 a-Alanine, conf. II
183036.3752 0.2137 -3.3606 3 119.5757195 89503 303321913 311912 a-Alanine, conf. II
183114.0496 19.9943 -5.2589 3 382.3996399 89503 30366 759 66 660 a-Alanine, conf. II
183114.0496 19.9943 -4.6568 3 382.3996399 89503 30366 759 66 760 a-Alanine, conf. II
183114.0496 19.9943 -4.6568 3 382.3996399 89503 30366 859 66 660 a-Alanine, conf. II
183114.0496 19.9943 -5.2589 3 382.3996399 89503 30366 859 66 760 a-Alanine, conf. II
183135.1872 12.4648 -4.9668 3 717.5498513 89503 303852164 852165 a-Alanine, conf. II
183135.1872 12.4648 -4.9668 3 717.5498513 89503 303852264 852065 a-Alanine, conf. II
183152.8444 9.4531 -5.2628 3 536.3944393 89503 303654421 654322 a-Alanine, conf. II
183152.8444 9.4531 -5.2628 3 536.3944393 89503 303654422 654323 a-Alanine, conf. II
183205.7450 24.0314 -5.0631 3 776.6895531 89503 303882365 882366 a-Alanine, conf. II
183205.7450 24.0314 -5.0631 3 776.6895531 89503 303882465 882266 a-Alanine, conf. II
183294.9195 0.2191 -3.1526 3 115.4807219 89503 30336 531 35 530 a-Alanine, conf. II
183294.9195 0.2191 -4.3405 3 115.4807219 89503 30336 531 35 630 a-Alanine, conf. II
183294.9195 0.2191 -4.3405 3 115.4807219 89503 30336 631 35 530 a-Alanine, conf. II
183294.9195 0.2191 -3.1526 3 115.4807219 89503 30336 631 35 630 a-Alanine, conf. II
183419.7835 0.1306 -4.8449 3 39.7350123 89503 30320 912 19 713 a-Alanine, conf. II
183478.3519 9.5099 -5.2545 3 524.1027387 89503 303644420 644321 a-Alanine, conf. II
183478.3519 9.5099 -5.2545 3 524.1027387 89503 303644421 644322 a-Alanine, conf. II
183506.2040 4.3510 -5.1030 3 324.4197327 89503 303542628 542431 a-Alanine, conf. II
183517.1072 0.0387 -3.2118 3 99.0903189 89503 303311120 301119 a-Alanine, conf. II
183555.6046 7.2652 -5.3259 3 585.3858471 89503 303781662 781563 a-Alanine, conf. II
183555.6046 7.2652 -4.7754 3 585.3858471 89503 303781662 781663 a-Alanine, conf. II
183555.6046 7.2652 -4.7754 3 585.3858471 89503 303781762 781563 a-Alanine, conf. II
183555.6046 7.2652 -5.3259 3 585.3858471 89503 303781762 781663 a-Alanine, conf. II
183588.0378 3.1807 -5.1171 3 270.9583297 89503 303492525 492326 a-Alanine, conf. II
183598.0342 21.0452 -4.9751 3 290.5375363 89503 30360 258 60 259 a-Alanine, conf. II
183598.0342 21.0452 -4.9751 3 290.5375363 89503 30360 358 60 159 a-Alanine, conf. II
183610.4111 0.1824 -3.3290 3 117.0320195 89503 303321815 311814 a-Alanine, conf. II
183611.0641 0.1824 -3.3290 3 117.0320195 89503 303321814 311813 a-Alanine, conf. II
183653.6402 18.0680 -5.2373 3 446.3279423 89503 303701060 70 961 a-Alanine, conf. II
183653.6402 18.0680 -4.6514 3 446.3279423 89503 303701060 701061 a-Alanine, conf. II
183653.6402 18.0680 -4.6514 3 446.3279423 89503 303701160 70 961 a-Alanine, conf. II
183653.6402 18.0680 -5.2373 3 446.3279423 89503 303701160 701061 a-Alanine, conf. II
183751.9450 3.0823 -5.1164 3 270.9529297 89503 303492524 492327 a-Alanine, conf. II
183764.7437 0.4981 -4.4369 3 54.1339123 89503 3032017 3 1916 4 a-Alanine, conf. II
183764.7437 0.4981 -4.4369 3 54.1339123 89503 3032017 4 1916 3 a-Alanine, conf. II
183783.6203 0.1012 -4.4751 3 111.5055207 89503 30334 826 33 925 a-Alanine, conf. II
183784.1320 0.1012 -3.1863 3 111.5055207 89503 30334 926 33 925 a-Alanine, conf. II
183784.9669 0.1012 -3.1863 3 111.5054207 89503 30334 826 33 825 a-Alanine, conf. II
183785.4787 0.1012 -4.4750 3 111.5054207 89503 30334 926 33 825 a-Alanine, conf. II
183787.7224 9.5726 -5.2476 3 512.0054381 89503 303634419 634320 a-Alanine, conf. II
183787.7224 9.5726 -5.2476 3 512.0054381 89503 303634420 634321 a-Alanine, conf. II
183814.6970 14.0087 -5.2653 3 514.0035447 89503 303741361 741262 a-Alanine, conf. II
183814.6970 14.0087 -4.6966 3 514.0035447 89503 303741361 741362 a-Alanine, conf. II
183814.6970 14.0087 -4.6966 3 514.0035447 89503 303741461 741262 a-Alanine, conf. II
183814.6970 14.0087 -5.2653 3 514.0035447 89503 303741461 741362 a-Alanine, conf. II
183862.2583 2.4091 -5.1914 3 214.1263261 89503 303432420 432221 a-Alanine, conf. II
183868.1226 2.4072 -5.1913 3 214.1261261 89503 303432419 432222 a-Alanine, conf. II
183869.2030 10.1120 -5.4096 3 676.0391453 89503 303754530 754431 a-Alanine, conf. II
183869.2030 10.1120 -5.4096 3 676.0391453 89503 303754531 754432 a-Alanine, conf. II
183899.5080 68.0128 -5.3513 3 942.0934579 89503 303962868 962869 a-Alanine, conf. II
183899.5092 68.0128 -5.3513 3 942.0934579 89503 303962968 962769 a-Alanine, conf. II
183919.6081 20.8870 -5.2856 3 365.4613393 89503 30365 659 65 560 a-Alanine, conf. II
183919.6081 20.8870 -4.6782 3 365.4613393 89503 30365 659 65 660 a-Alanine, conf. II
183919.6081 20.8870 -4.6782 3 365.4613393 89503 30365 759 65 560 a-Alanine, conf. II
183919.6081 20.8870 -5.2856 3 365.4613393 89503 30365 759 65 660 a-Alanine, conf. II
183932.1973 0.2871 -5.3341 3 29.8220 99 89503 3031612 4 1510 5 a-Alanine, conf. II
183934.4864 0.2871 -5.3341 3 29.8219 99 89503 3031612 5 1510 6 a-Alanine, conf. II
184024.2052 0.1391 -4.7360 3 61.2114147 89503 303241212 231113 a-Alanine, conf. II
184075.6442 4.3919 -5.1637 3 434.1605381 89503 303632835 632638 a-Alanine, conf. II
184081.6136 9.6400 -5.2421 3 500.1024375 89503 303624418 624319 a-Alanine, conf. II
184081.6136 9.6400 -5.2421 3 500.1024375 89503 303624419 624320 a-Alanine, conf. II
184202.7641 1.9842 -5.3851 3 639.7787489 89503 303811863 811764 a-Alanine, conf. II
184202.7641 1.9842 -4.8469 3 639.7787489 89503 303811863 811864 a-Alanine, conf. II
184202.7641 1.9842 -4.8469 3 639.7787489 89503 303811963 811764 a-Alanine, conf. II
184202.7641 1.9842 -5.3851 3 639.7787489 89503 303811963 811864 a-Alanine, conf. II
184235.5351 21.2557 -5.2342 3 275.0338357 89503 30359 158 59 159 a-Alanine, conf. II
184235.5351 21.2557 -5.2342 3 275.0338357 89503 30359 258 59 059 a-Alanine, conf. II
184323.3792 0.1546 -3.2995 3 114.6603195 89503 303321716 311715 a-Alanine, conf. II
184331.3814 0.1551 -3.2994 3 114.6604195 89503 303321715 311714 a-Alanine, conf. II
184340.4217 0.1876 -5.0519 3 34.8516111 89503 3031811 7 17 9 8 a-Alanine, conf. II
184357.9094 10.0520 -5.3912 3 661.8036447 89503 303744529 744430 a-Alanine, conf. II
184357.9094 10.0520 -5.3912 3 661.8036447 89503 303744530 744431 a-Alanine, conf. II
184360.6538 9.7116 -5.2383 3 488.3933369 89503 303614417 614318 a-Alanine, conf. II
184360.6538 9.7116 -5.2383 3 488.3933369 89503 303614418 614319 a-Alanine, conf. II
184427.3283 1.1329 -3.0947 3 119.8865237 89503 30339 138 38 137 a-Alanine, conf. II
184427.3283 1.1329 -4.2067 3 119.8865237 89503 30339 138 38 237 a-Alanine, conf. II
184427.3283 1.1329 -4.2067 3 119.8865237 89503 30339 238 38 137 a-Alanine, conf. II
184427.3283 1.1329 -3.0947 3 119.8865237 89503 30339 238 38 237 a-Alanine, conf. II
184492.2642 0.2413 -4.8845 3 113.2387201 89503 303331221 321320 a-Alanine, conf. II
184499.4028 47.4630 -5.2326 3 877.6346561 89503 303932667 932668 a-Alanine, conf. II
184499.4029 47.4630 -5.2326 3 877.6346561 89503 303932767 932568 a-Alanine, conf. II
184525.3382 16.1097 -5.1571 3 409.7934369 89503 303612834 612635 a-Alanine, conf. II
184577.2220 19.5397 -5.2406 3 428.4410417 89503 30369 960 69 861 a-Alanine, conf. II
184577.2220 19.5397 -4.6490 3 428.4410417 89503 30369 960 69 961 a-Alanine, conf. II
184577.2220 19.5397 -4.6490 3 428.4410417 89503 303691060 69 861 a-Alanine, conf. II
184577.2220 19.5397 -5.2406 3 428.4410417 89503 303691060 69 961 a-Alanine, conf. II
184625.4440 9.7866 -5.2362 3 476.8779363 89503 303604416 604317 a-Alanine, conf. II
184625.4440 9.7866 -5.2362 3 476.8779363 89503 303604417 604318 a-Alanine, conf. II
184637.4816 7.3024 -4.9291 3 696.2146507 89503 303842064 842065 a-Alanine, conf. II
184637.4816 7.3024 -4.9291 3 696.2146507 89503 303842164 841965 a-Alanine, conf. II
184689.2318 21.6316 -5.3252 3 348.7558387 89503 30364 559 64 460 a-Alanine, conf. II
184689.2318 21.6316 -4.7124 3 348.7558387 89503 30364 559 64 560 a-Alanine, conf. II
184689.2318 21.6316 -4.7124 3 348.7558387 89503 30364 659 64 460 a-Alanine, conf. II
184689.2318 21.6316 -5.3252 3 348.7558387 89503 30364 659 64 560 a-Alanine, conf. II
184698.5985 0.0400 -3.2106 3 105.3861195 89503 303321221 311220 a-Alanine, conf. II
184722.4400 0.3569 -3.1331 3 118.4007225 89503 30337 433 36 432 a-Alanine, conf. II
184722.4400 0.3569 -4.2970 3 118.4007225 89503 30337 433 36 532 a-Alanine, conf. II
184722.4400 0.3569 -4.2970 3 118.4007225 89503 30337 533 36 432 a-Alanine, conf. II
184722.4400 0.3569 -3.1331 3 118.4007225 89503 30337 533 36 532 a-Alanine, conf. II
184742.6765 0.1896 -5.0507 3 34.8379111 89503 3031811 8 17 9 9 a-Alanine, conf. II
184761.5222 10.3341 -5.3069 3 565.6406465 89503 303771562 771463 a-Alanine, conf. II
184761.5222 10.3341 -4.7497 3 565.6406465 89503 303771562 771563 a-Alanine, conf. II
184761.5222 10.3341 -4.7497 3 565.6406465 89503 303771662 771463 a-Alanine, conf. II
184761.5222 10.3341 -5.3069 3 565.6406465 89503 303771662 771563 a-Alanine, conf. II
184805.6227 30.8756 -5.1225 3 815.1578543 89503 303902466 902467 a-Alanine, conf. II
184805.6227 30.8756 -5.1225 3 815.1578543 89503 303902566 902367 a-Alanine, conf. II
184824.0827 10.0145 -5.3738 3 647.7649441 89503 303734528 734429 a-Alanine, conf. II
184824.0827 10.0145 -5.3738 3 647.7649441 89503 303734529 734430 a-Alanine, conf. II
184844.4499 17.6391 -5.0212 3 754.6793525 89503 303872265 872266 a-Alanine, conf. II
184844.4499 17.6391 -5.0212 3 754.6793525 89503 303872365 872166 a-Alanine, conf. II
184851.2645 23.4322 -5.2445 3 472.4228399 89503 303662838 662641 a-Alanine, conf. II
184870.6761 16.2060 -5.2554 3 495.1806441 89503 303731261 731162 a-Alanine, conf. II
184870.6761 16.2060 -4.6805 3 495.1806441 89503 303731261 731262 a-Alanine, conf. II
184870.6761 16.2060 -4.6805 3 495.1806441 89503 303731361 731162 a-Alanine, conf. II
184870.6761 16.2060 -5.2554 3 495.1806441 89503 303731361 731262 a-Alanine, conf. II
184876.5599 9.8644 -5.2359 3 465.5560357 89503 303594415 594316 a-Alanine, conf. II
184876.5599 9.8644 -5.2359 3 465.5560357 89503 303594416 594317 a-Alanine, conf. II
184944.6139 1.1712 -5.0230 3 224.1920279 89503 303461729 451926 a-Alanine, conf. II
185044.6891 0.3913 -4.4739 3 55.7058129 89503 3032116 6 2015 5 a-Alanine, conf. II
185044.6895 0.3913 -4.4739 3 55.7058129 89503 3032116 5 2015 6 a-Alanine, conf. II
185099.5596 0.1282 -4.4141 3 115.0747213 89503 30335 728 34 827 a-Alanine, conf. II
185099.5700 0.1282 -3.1684 3 115.0747213 89503 30335 828 34 827 a-Alanine, conf. II
185099.5890 0.1282 -3.1684 3 115.0747213 89503 30335 728 34 727 a-Alanine, conf. II
185099.5994 0.1282 -4.4141 3 115.0747213 89503 30335 828 34 727 a-Alanine, conf. II
185114.5534 9.9446 -5.2377 3 454.4274351 89503 303584414 584315 a-Alanine, conf. II
185114.5534 9.9446 -5.2377 3 454.4274351 89503 303584415 584316 a-Alanine, conf. II
185130.1265 5.6715 -5.1167 3 371.4616351 89503 303582731 582534 a-Alanine, conf. II
185218.6871 0.1309 -3.2716 3 112.4697195 89503 303321617 311616 a-Alanine, conf. II
185258.9767 3.6515 -5.0964 3 235.2700285 89503 303471829 462026 a-Alanine, conf. II
185268.6961 9.9964 -5.3572 3 633.9227435 89503 303724527 724428 a-Alanine, conf. II
185268.6961 9.9964 -5.3572 3 633.9227435 89503 303724528 724429 a-Alanine, conf. II
185296.9053 0.1351 -3.2712 3 112.4713195 89503 303321616 311615 a-Alanine, conf. II
185311.8196 0.8196 -5.3666 3 198.0806261 89503 303431826 421923 a-Alanine, conf. II
185339.9549 10.0266 -5.2418 3 443.4917345 89503 303574413 574314 a-Alanine, conf. II
185339.9549 10.0266 -5.2418 3 443.4917345 89503 303574414 574315 a-Alanine, conf. II
185416.6069 2.4075 -5.2156 3 205.8495255 89503 303422419 422220 a-Alanine, conf. II
185418.7175 2.4068 -5.2156 3 205.8494255 89503 303422418 422221 a-Alanine, conf. II
185424.5956 22.2364 -5.3830 3 332.2843381 89503 30363 459 63 360 a-Alanine, conf. II
185424.5956 22.2364 -4.7651 3 332.2843381 89503 30363 459 63 460 a-Alanine, conf. II
185424.5956 22.2364 -4.7651 3 332.2843381 89503 30363 559 63 360 a-Alanine, conf. II
185424.5956 22.2364 -5.3830 3 332.2843381 89503 30363 559 63 460 a-Alanine, conf. II
185426.7809 0.0764 -5.2365 3 32.3140117 89503 30319 514 18 315 a-Alanine, conf. II
185459.9362 20.8277 -5.2500 3 410.7829411 89503 30368 860 68 761 a-Alanine, conf. II
185459.9362 20.8277 -4.6527 3 410.7829411 89503 30368 860 68 861 a-Alanine, conf. II
185459.9362 20.8277 -4.6527 3 410.7829411 89503 30368 960 68 761 a-Alanine, conf. II
185459.9362 20.8277 -5.2500 3 410.7829411 89503 30368 960 68 861 a-Alanine, conf. II
185516.9832 5.2083 -5.3612 3 619.3407483 89503 303801763 801664 a-Alanine, conf. II
185516.9832 5.2083 -4.8159 3 619.3407483 89503 303801763 801764 a-Alanine, conf. II
185516.9832 5.2083 -4.8159 3 619.3407483 89503 303801863 801664 a-Alanine, conf. II
185516.9832 5.2083 -5.3612 3 619.3407483 89503 303801863 801764 a-Alanine, conf. II
185553.2737 10.1100 -5.2485 3 432.7488339 89503 303564412 564313 a-Alanine, conf. II
185553.2737 10.1100 -5.2485 3 432.7488339 89503 303564413 564314 a-Alanine, conf. II
185662.2317 0.0743 -5.2358 3 32.3141117 89503 30319 614 18 415 a-Alanine, conf. II
185681.1378 3.6076 -5.0766 3 233.4285285 89503 303471730 461927 a-Alanine, conf. II
185684.4816 0.1237 -4.9274 3 38.5071123 89503 30320 813 19 614 a-Alanine, conf. II
185692.6673 9.9951 -5.3417 3 620.2767429 89503 303714526 714427 a-Alanine, conf. II
185692.6673 9.9951 -5.3417 3 620.2767429 89503 303714527 714428 a-Alanine, conf. II
185755.0004 10.1945 -5.2581 3 422.1984333 89503 303554411 554312 a-Alanine, conf. II
185755.0004 10.1945 -5.2581 3 422.1984333 89503 303554412 554313 a-Alanine, conf. II
185806.0085 0.8395 -4.4805 3 172.8033201 89503 3033332 1 3232 0 a-Alanine, conf. II
185806.0085 0.8395 -4.4805 3 172.8033201 89503 3033332 2 3232 1 a-Alanine, conf. II
185825.9994 4.6234 -5.1060 3 313.9052321 89503 303532628 532429 a-Alanine, conf. II
185852.0520 1.6373 -3.0749 3 122.0174243 89503 30340 040 39 039 a-Alanine, conf. II
185852.0520 1.6373 -4.1735 3 122.0174243 89503 30340 040 39 139 a-Alanine, conf. II
185852.0520 1.6373 -4.1735 3 122.0174243 89503 30340 140 39 039 a-Alanine, conf. II
185852.0520 1.6373 -3.0749 3 122.0174243 89503 30340 140 39 139 a-Alanine, conf. II
185879.8201 18.1782 -5.2491 3 476.5822435 89503 303721161 721062 a-Alanine, conf. II
185879.8201 18.1782 -4.6682 3 476.5822435 89503 303721161 721162 a-Alanine, conf. II
185879.8201 18.1782 -4.6682 3 476.5822435 89503 303721261 721062 a-Alanine, conf. II
185879.8201 18.1782 -5.2491 3 476.5822435 89503 303721261 721162 a-Alanine, conf. II
185887.6648 0.0647 -4.6044 3 109.7173201 89503 303331023 321122 a-Alanine, conf. II
185913.2093 13.1483 -5.2905 3 546.1152459 89503 303761462 761363 a-Alanine, conf. II
185913.2093 13.1483 -4.7268 3 546.1152459 89503 303761462 761463 a-Alanine, conf. II
185913.2093 13.1483 -4.7268 3 546.1152459 89503 303761562 761363 a-Alanine, conf. II
185913.2093 13.1483 -5.2905 3 546.1152459 89503 303761562 761463 a-Alanine, conf. II
185915.0953 0.7807 -4.1763 3 168.2773201 89503 3033331 2 3231 1 a-Alanine, conf. II
185915.0953 0.7807 -4.1763 3 168.2773201 89503 3033331 3 3231 2 a-Alanine, conf. II
185921.1663 0.1313 -4.7615 3 65.9746153 89503 303251214 241113 a-Alanine, conf. II
185930.5403 57.4960 -5.2996 3 918.3008573 89503 303952768 952769 a-Alanine, conf. II
185930.5405 57.4960 -5.2996 3 918.3008573 89503 303952868 952669 a-Alanine, conf. II
185945.6073 10.2798 -5.2711 3 411.8404327 89503 303544410 544311 a-Alanine, conf. II
185945.6073 10.2798 -5.2711 3 411.8404327 89503 303544411 544312 a-Alanine, conf. II
185966.3778 2.9903 -5.1270 3 261.4524291 89503 303482524 482325 a-Alanine, conf. II
186035.2700 2.9524 -5.1267 3 261.4502291 89503 303482523 482326 a-Alanine, conf. II
186035.7870 0.7238 -3.9974 3 163.8986201 89503 3033330 3 3230 2 a-Alanine, conf. II
186035.7870 0.7238 -3.9974 3 163.8986201 89503 3033330 4 3230 3 a-Alanine, conf. II
186069.1218 0.0653 -3.1951 3 109.7173201 89503 303331123 321122 a-Alanine, conf. II
186069.1358 2.8650 -4.8935 3 675.0905501 89503 303831964 831965 a-Alanine, conf. II
186069.1358 2.8650 -4.8935 3 675.0905501 89503 303832064 831865 a-Alanine, conf. II
186096.8636 10.0082 -5.3273 3 606.8266423 89503 303704525 704426 a-Alanine, conf. II
186096.8636 10.0082 -5.3273 3 606.8266423 89503 303704526 704427 a-Alanine, conf. II
186125.5498 10.3655 -5.2880 3 401.6744321 89503 3035344 9 534310 a-Alanine, conf. II
186125.5498 10.3655 -5.2880 3 401.6744321 89503 303534410 534311 a-Alanine, conf. II
186127.2604 22.7097 -4.8465 3 316.0479375 89503 30362 359 62 360 a-Alanine, conf. II
186127.2604 22.7097 -4.8465 3 316.0479375 89503 30362 459 62 260 a-Alanine, conf. II
186156.4418 0.5732 -3.1136 3 121.1318231 89503 30338 335 37 334 a-Alanine, conf. II
186156.4418 0.5732 -4.2574 3 121.1318231 89503 30338 335 37 434 a-Alanine, conf. II
186156.4418 0.5732 -4.2574 3 121.1318231 89503 30338 435 37 334 a-Alanine, conf. II
186156.4418 0.5732 -3.1136 3 121.1318231 89503 30338 435 37 434 a-Alanine, conf. II
186169.7794 0.6687 -3.8700 3 159.6677201 89503 3033329 4 3229 3 a-Alanine, conf. II
186169.7794 0.6687 -3.8700 3 159.6677201 89503 3033329 5 3229 4 a-Alanine, conf. II
186263.1595 0.3025 -4.5168 3 57.6443135 89503 3032215 8 2114 7 a-Alanine, conf. II
186263.2257 0.3025 -4.5168 3 57.6443135 89503 3032215 7 2114 8 a-Alanine, conf. II
186263.6562 0.1095 -3.2453 3 110.4713195 89503 303321518 311517 a-Alanine, conf. II
186291.7139 0.0659 -3.1939 3 109.7038201 89503 303331023 321022 a-Alanine, conf. II
186295.2674 10.4515 -5.3096 3 391.7003315 89503 3035244 8 5243 9 a-Alanine, conf. II
186295.2674 10.4515 -5.3096 3 391.7003315 89503 3035244 9 524310 a-Alanine, conf. II
186303.7999 21.9417 -5.2667 3 393.3548405 89503 30367 760 67 661 a-Alanine, conf. II
186303.7999 21.9417 -4.6640 3 393.3548405 89503 30367 760 67 761 a-Alanine, conf. II
186303.7999 21.9417 -4.6640 3 393.3548405 89503 30367 860 67 661 a-Alanine, conf. II
186303.7999 21.9417 -5.2667 3 393.3548405 89503 30367 860 67 761 a-Alanine, conf. II
186319.1059 0.6156 -3.7709 3 155.5851201 89503 3033328 5 3228 4 a-Alanine, conf. II
186319.1059 0.6156 -3.7709 3 155.5851201 89503 3033328 6 3228 5 a-Alanine, conf. II
186355.8851 38.7508 -5.1847 3 854.4969555 89503 303922567 922568 a-Alanine, conf. II
186355.8851 38.7508 -5.1847 3 854.4969555 89503 303922667 922468 a-Alanine, conf. II
186404.2142 11.7582 -4.9812 3 732.8762519 89503 303862165 862166 a-Alanine, conf. II
186404.2142 11.7582 -4.9812 3 732.8762519 89503 303862265 862066 a-Alanine, conf. II
186410.2393 0.1205 -3.2100 3 101.2139189 89503 303311318 301317 a-Alanine, conf. II
186412.7255 4.0814 -5.1035 3 313.8859321 89503 303532627 532430 a-Alanine, conf. II
186451.7941 7.9996 -5.1186 3 360.1709345 89503 303572731 572532 a-Alanine, conf. II
186455.1846 10.5375 -5.3369 3 381.9180309 89503 3035144 7 5143 8 a-Alanine, conf. II
186455.1846 10.5375 -5.3369 3 381.9180309 89503 3035144 8 5143 9 a-Alanine, conf. II
186473.1709 0.0680 -4.6013 3 109.7038201 89503 303331123 321022 a-Alanine, conf. II
186479.6072 0.1740 -4.3619 3 118.4343219 89503 30336 630 35 729 a-Alanine, conf. II
186479.6073 0.1740 -3.1499 3 118.4343219 89503 30336 730 35 729 a-Alanine, conf. II
186479.6077 0.1740 -3.1499 3 118.4343219 89503 30336 630 35 629 a-Alanine, conf. II
186479.6078 0.1740 -4.3619 3 118.4343219 89503 30336 730 35 629 a-Alanine, conf. II
186482.1062 10.0337 -5.3138 3 593.5720417 89503 303694524 694425 a-Alanine, conf. II
186482.1062 10.0337 -5.3138 3 593.5720417 89503 303694525 694426 a-Alanine, conf. II
186486.2275 0.5643 -3.6900 3 151.6514201 89503 3033327 6 3227 5 a-Alanine, conf. II
186486.2275 0.5643 -3.6900 3 151.6514201 89503 3033327 7 3227 6 a-Alanine, conf. II
186506.1435 23.6841 -5.0785 3 792.6834537 89503 303892366 892367 a-Alanine, conf. II
186506.1435 23.6841 -5.0785 3 792.6834537 89503 303892466 892267 a-Alanine, conf. II
186605.7116 10.6234 -5.3714 3 372.3271303 89503 3035044 6 5043 7 a-Alanine, conf. II
186605.7116 10.6234 -5.3714 3 372.3271303 89503 3035044 7 5043 8 a-Alanine, conf. II
186626.5333 6.1830 -5.1487 3 421.7894375 89503 303622834 622637 a-Alanine, conf. II
186655.5205 0.1444 -4.8350 3 40.8569123 89503 303201011 19 812 a-Alanine, conf. II
186674.1531 0.5150 -3.6216 3 147.8674201 89503 3033326 7 3226 6 a-Alanine, conf. II
186674.1531 0.5150 -3.6216 3 147.8674201 89503 3033326 8 3226 7 a-Alanine, conf. II
186726.7644 0.0541 -3.2104 3 107.0102195 89503 303321320 311319 a-Alanine, conf. II
186769.4693 0.7529 -4.3589 3 55.4311117 89503 3031919 0 1818 1 a-Alanine, conf. II
186769.4693 0.7529 -4.3589 3 55.4311117 89503 3031919 1 1818 0 a-Alanine, conf. II
186771.5880 8.6753 -5.3394 3 599.1191477 89503 303791663 791564 a-Alanine, conf. II
186771.5880 8.6753 -4.7874 3 599.1191477 89503 303791663 791664 a-Alanine, conf. II
186771.5880 8.6753 -4.7874 3 599.1191477 89503 303791763 791564 a-Alanine, conf. II
186771.5880 8.6753 -5.3394 3 599.1191477 89503 303791763 791664 a-Alanine, conf. II
186798.6849 23.0590 -4.9797 3 300.0478369 89503 30361 259 61 260 a-Alanine, conf. II
186798.6849 23.0590 -4.9797 3 300.0478369 89503 30361 359 61 160 a-Alanine, conf. II
186826.1737 2.4206 -5.2431 3 197.7794249 89503 303412418 412219 a-Alanine, conf. II
186826.9019 2.4204 -5.2431 3 197.7794249 89503 303412417 412220 a-Alanine, conf. II
186844.6088 19.9364 -5.2470 3 458.2098429 89503 303711061 71 962 a-Alanine, conf. II
186844.6088 19.9364 -4.6603 3 458.2098429 89503 303711061 711062 a-Alanine, conf. II
186844.6088 19.9364 -4.6603 3 458.2098429 89503 303711161 71 962 a-Alanine, conf. II
186844.6088 19.9364 -5.2470 3 458.2098429 89503 303711161 711062 a-Alanine, conf. II
186844.9399 0.1330 -3.2426 3 110.4858195 89503 303321517 311516 a-Alanine, conf. II
186849.1736 10.0699 -5.3015 3 580.5127411 89503 303684523 684424 a-Alanine, conf. II
186849.1736 10.0699 -5.3015 3 580.5127411 89503 303684524 684425 a-Alanine, conf. II
186886.6048 0.4676 -3.5624 3 144.2339201 89503 3033325 8 3225 7 a-Alanine, conf. II
186886.6048 0.4676 -3.5624 3 144.2339201 89503 3033325 9 3225 8 a-Alanine, conf. II
186936.9855 2.4692 -5.3272 3 189.8510255 89503 303421824 411923 a-Alanine, conf. II
187013.7863 15.7071 -5.2769 3 526.8112453 89503 303751362 751263 a-Alanine, conf. II
187013.7863 15.7071 -4.7070 3 526.8112453 89503 303751362 751363 a-Alanine, conf. II
187013.7863 15.7071 -4.7070 3 526.8112453 89503 303751462 751263 a-Alanine, conf. II
187013.7863 15.7071 -5.2769 3 526.8112453 89503 303751462 751363 a-Alanine, conf. II
187064.9669 0.0839 -3.2230 3 108.6665195 89503 303321419 311418 a-Alanine, conf. II
187080.6882 24.0058 -5.1913 3 449.8907387 89503 303642936 642737 a-Alanine, conf. II
187110.6785 22.8913 -5.2930 3 376.1582399 89503 30366 660 66 561 a-Alanine, conf. II
187110.6785 22.8913 -4.6849 3 376.1582399 89503 30366 660 66 661 a-Alanine, conf. II
187110.6785 22.8913 -4.6849 3 376.1582399 89503 30366 760 66 561 a-Alanine, conf. II
187110.6785 22.8913 -5.2930 3 376.1582399 89503 30366 760 66 661 a-Alanine, conf. II
187117.5758 0.0464 -3.1961 3 105.2118195 89503 303321121 311120 a-Alanine, conf. II
187127.5022 0.0960 -4.5126 3 113.7999207 89503 30334 925 331024 a-Alanine, conf. II
187128.2519 0.4222 -3.5105 3 140.7521201 89503 3033324 9 3224 8 a-Alanine, conf. II
187128.2519 0.4222 -3.5105 3 140.7521201 89503 303332410 3224 9 a-Alanine, conf. II
187134.6389 0.0960 -3.1804 3 113.7999207 89503 303341025 331024 a-Alanine, conf. II
187135.4544 1.4280 -5.3590 3 208.7963267 89503 303441926 432023 a-Alanine, conf. II
187145.1392 0.0960 -3.1803 3 113.7994207 89503 30334 925 33 924 a-Alanine, conf. II
187152.2758 0.0961 -4.5125 3 113.7994207 89503 303341025 33 924 a-Alanine, conf. II
187198.8057 10.1153 -5.2904 3 567.6484405 89503 303674522 674423 a-Alanine, conf. II
187198.8057 10.1153 -5.2904 3 567.6484405 89503 303674523 674424 a-Alanine, conf. II
187308.7677 68.8761 -5.3692 3 959.8315585 89503 303972869 972870 a-Alanine, conf. II
187308.7682 68.8761 -5.3692 3 959.8315585 89503 303972969 972770 a-Alanine, conf. II
187345.6376 0.2308 -4.5693 3 59.9667141 89503 303231410 2213 9 a-Alanine, conf. II
187350.9135 0.2308 -4.5692 3 59.9665141 89503 3032314 9 221310 a-Alanine, conf. II
187395.0726 0.1330 -4.4871 3 53.8785141 89503 303231013 22 814 a-Alanine, conf. II
187405.0478 0.3789 -3.4642 3 137.4233201 89503 303332310 3223 9 a-Alanine, conf. II
187405.0478 0.3789 -3.4642 3 137.4233201 89503 303332311 322310 a-Alanine, conf. II
187434.9156 2.8538 -5.4001 3 654.1794495 89503 303821864 821765 a-Alanine, conf. II
187434.9156 2.8538 -4.8600 3 654.1794495 89503 303821864 821865 a-Alanine, conf. II
187434.9156 2.8538 -4.8600 3 654.1794495 89503 303821964 821765 a-Alanine, conf. II
187434.9156 2.8538 -5.4001 3 654.1794495 89503 303821964 821865 a-Alanine, conf. II
187440.2359 23.2918 -5.2384 3 284.2852363 89503 30360 159 60 160 a-Alanine, conf. II
187440.2359 23.2918 -5.2384 3 284.2852363 89503 30360 259 60 060 a-Alanine, conf. II
187455.8210 2.3106 -5.4014 3 231.3072279 89503 303462126 452223 a-Alanine, conf. II
187531.7063 10.1686 -5.2805 3 554.9788399 89503 303664521 664422 a-Alanine, conf. II
187531.7063 10.1686 -5.2805 3 554.9788399 89503 303664522 664423 a-Alanine, conf. II
187532.7493 1.9264 -5.3755 3 219.8761273 89503 303452026 442123 a-Alanine, conf. II
187590.1908 0.8854 -3.0942 3 123.6771237 89503 30339 237 38 236 a-Alanine, conf. II
187590.1908 0.8854 -4.2207 3 123.6771237 89503 30339 237 38 336 a-Alanine, conf. II
187590.1908 0.8854 -4.2207 3 123.6771237 89503 30339 337 38 236 a-Alanine, conf. II
187590.1908 0.8854 -3.0942 3 123.6771237 89503 30339 337 38 336 a-Alanine, conf. II
187724.7350 0.3377 -3.4225 3 134.2492201 89503 303332211 322210 a-Alanine, conf. II
187724.7350 0.3377 -3.4225 3 134.2492201 89503 303332212 322211 a-Alanine, conf. II
187767.3162 21.4918 -5.2499 3 440.0647423 89503 30370 961 70 862 a-Alanine, conf. II
187767.3162 21.4918 -4.6575 3 440.0647423 89503 30370 961 70 962 a-Alanine, conf. II
187767.3162 21.4918 -4.6575 3 440.0647423 89503 303701061 70 862 a-Alanine, conf. II
187767.3162 21.4918 -5.2499 3 440.0647423 89503 303701061 70 962 a-Alanine, conf. II
187817.9274 0.0750 -3.1868 3 100.1321189 89503 303311219 301218 a-Alanine, conf. II
187848.5463 10.2286 -5.2719 3 542.5037393 89503 303654520 654421 a-Alanine, conf. II
187848.5463 10.2286 -5.2719 3 542.5037393 89503 303654521 654422 a-Alanine, conf. II
187855.8760 47.7615 -5.2498 3 894.7046567 89503 303942668 942669 a-Alanine, conf. II
187855.8760 47.7615 -5.2498 3 894.7046567 89503 303942768 942569 a-Alanine, conf. II
187882.3031 23.6856 -5.3321 3 359.1942393 89503 30365 560 65 461 a-Alanine, conf. II
187882.3031 23.6856 -4.7188 3 359.1942393 89503 30365 560 65 561 a-Alanine, conf. II
187882.3031 23.6856 -4.7188 3 359.1942393 89503 30365 660 65 461 a-Alanine, conf. II
187882.3031 23.6856 -5.3321 3 359.1942393 89503 30365 660 65 561 a-Alanine, conf. II
187890.7387 6.4109 -4.9433 3 711.2825513 89503 303852065 852066 a-Alanine, conf. II
187890.7387 6.4109 -4.9433 3 711.2825513 89503 303852165 851966 a-Alanine, conf. II
187892.0125 0.2661 -3.1312 3 121.5947225 89503 30337 532 36 531 a-Alanine, conf. II
187892.0125 0.2661 -4.3157 3 121.5947225 89503 30337 532 36 631 a-Alanine, conf. II
187892.0125 0.2661 -4.3157 3 121.5947225 89503 30337 632 36 531 a-Alanine, conf. II
187892.0125 0.2661 -3.1312 3 121.5947225 89503 30337 632 36 631 a-Alanine, conf. II
187970.1996 11.9033 -5.3200 3 579.1158471 89503 303781563 781464 a-Alanine, conf. II
187970.1996 11.9033 -4.7614 3 579.1158471 89503 303781563 781564 a-Alanine, conf. II
187970.1996 11.9033 -4.7614 3 579.1158471 89503 303781663 781464 a-Alanine, conf. II
187970.1996 11.9033 -5.3200 3 579.1158471 89503 303781663 781564 a-Alanine, conf. II
188008.6213 7.6434 -5.2224 3 488.5423405 89503 303672938 672741 a-Alanine, conf. II
188018.0846 0.1747 -4.6402 3 62.7064147 89503 303241312 231211 a-Alanine, conf. II
188037.7377 0.0721 -4.6932 3 111.5470201 89503 303331122 321221 a-Alanine, conf. II
188066.0868 18.0196 -5.2666 3 507.7303447 89503 303741262 741163 a-Alanine, conf. II
188066.0868 18.0196 -4.6906 3 507.7303447 89503 303741262 741263 a-Alanine, conf. II
188066.0868 18.0196 -4.6906 3 507.7303447 89503 303741362 741163 a-Alanine, conf. II
188066.0868 18.0196 -5.2666 3 507.7303447 89503 303741362 741263 a-Alanine, conf. II
188082.4825 0.6096 -4.3901 3 56.4943123 89503 3032018 2 1917 3 a-Alanine, conf. II
188082.4825 0.6096 -4.3901 3 56.4943123 89503 3032018 3 1917 2 a-Alanine, conf. II
188085.1033 2.8747 -5.1398 3 252.1616285 89503 303472523 472324 a-Alanine, conf. II
188097.6325 0.2988 -3.3847 3 131.2321201 89503 303332113 322112 a-Alanine, conf. II
188097.6330 0.2988 -3.3847 3 131.2321201 89503 303332112 322111 a-Alanine, conf. II
188106.7846 2.4450 -5.2740 3 189.9146243 89503 303402417 402218 a-Alanine, conf. II
188107.0252 2.4449 -5.2740 3 189.9145243 89503 303402416 402219 a-Alanine, conf. II
188112.9766 2.8606 -5.1397 3 252.1606285 89503 303472522 472325 a-Alanine, conf. II
188119.7290 30.6864 -5.1387 3 831.5602549 89503 303912467 912468 a-Alanine, conf. II
188119.7290 30.6864 -5.1387 3 831.5602549 89503 303912567 912368 a-Alanine, conf. II
188124.6448 17.0434 -5.0365 3 770.4143531 89503 303882266 882267 a-Alanine, conf. II
188124.6448 17.0434 -5.0365 3 770.4143531 89503 303882366 882167 a-Alanine, conf. II
188149.9659 10.2944 -5.2646 3 530.2228387 89503 303644519 644420 a-Alanine, conf. II
188149.9659 10.2944 -5.2646 3 530.2228387 89503 303644520 644421 a-Alanine, conf. II
188226.1535 2.6631 -5.3974 3 231.3058279 89503 303462125 452224 a-Alanine, conf. II
188233.4276 0.1754 -4.6395 3 62.7007147 89503 303241311 231212 a-Alanine, conf. II
188233.7918 1.8711 -5.2474 3 162.0939237 89503 303391623 381722 a-Alanine, conf. II
188306.3815 5.5241 -5.1108 3 360.1103345 89503 303572730 572533 a-Alanine, conf. II
188357.0658 0.1239 -4.4434 3 117.6359213 89503 30335 827 34 926 a-Alanine, conf. II
188357.2574 0.1239 -3.1640 3 117.6359213 89503 30335 927 34 926 a-Alanine, conf. II
188357.5776 0.1239 -3.1640 3 117.6358213 89503 30335 827 34 826 a-Alanine, conf. II
188357.7692 0.1239 -4.4434 3 117.6358213 89503 30335 927 34 826 a-Alanine, conf. II
188436.5770 10.3651 -5.2589 3 518.1359381 89503 303634518 634419 a-Alanine, conf. II
188436.5770 10.3651 -5.2589 3 518.1359381 89503 303634519 634420 a-Alanine, conf. II
188537.9239 0.2626 -3.3501 3 128.3748201 89503 303332014 322013 a-Alanine, conf. II
188537.9328 0.2626 -3.3501 3 128.3748201 89503 303332013 322012 a-Alanine, conf. II
188561.1470 0.1355 -4.7907 3 70.9346159 89503 303261215 251114 a-Alanine, conf. II
188580.1504 0.1796 -4.9616 3 38.3443117 89503 3031911 8 18 9 9 a-Alanine, conf. II
188620.2844 24.3332 -5.3894 3 342.4641387 89503 30364 460 64 361 a-Alanine, conf. II
188620.2844 24.3332 -4.7711 3 342.4641387 89503 30364 460 64 461 a-Alanine, conf. II
188620.2844 24.3332 -4.7711 3 342.4641387 89503 30364 560 64 361 a-Alanine, conf. II
188620.2844 24.3332 -5.3894 3 342.4641387 89503 30364 560 64 461 a-Alanine, conf. II
188650.0353 22.8549 -5.2588 3 422.1483417 89503 30369 861 69 762 a-Alanine, conf. II
188650.0353 22.8549 -4.6608 3 422.1483417 89503 30369 861 69 862 a-Alanine, conf. II
188650.0353 22.8549 -4.6608 3 422.1483417 89503 30369 961 69 762 a-Alanine, conf. II
188650.0353 22.8549 -5.2588 3 422.1483417 89503 30369 961 69 862 a-Alanine, conf. II
188674.5548 0.1425 -4.8192 3 93.0966183 89503 303301219 291118 a-Alanine, conf. II
188679.3577 42.8876 -5.3164 3 428.3842381 89503 303632637 632440 a-Alanine, conf. II
188708.9652 10.4399 -5.2547 3 506.2427375 89503 303624517 624418 a-Alanine, conf. II
188708.9652 10.4399 -5.2547 3 506.2427375 89503 303624518 624419 a-Alanine, conf. II
188739.0666 6.5645 -5.3757 3 633.4831489 89503 303811764 811665 a-Alanine, conf. II
188739.0666 6.5645 -4.8288 3 633.4831489 89503 303811764 811765 a-Alanine, conf. II
188739.0666 6.5645 -4.8288 3 633.4831489 89503 303811864 811665 a-Alanine, conf. II
188739.0666 6.5645 -5.3757 3 633.4831489 89503 303811864 811765 a-Alanine, conf. II
188742.9661 0.1252 -4.7748 3 99.0903189 89503 303311220 301119 a-Alanine, conf. II
188855.9498 4.0428 -5.1078 3 303.5782315 89503 303522627 522428 a-Alanine, conf. II
188956.5760 19.6001 -5.2539 3 501.8836411 89503 303682939 682742 a-Alanine, conf. II
188967.6917 10.5182 -5.2523 3 494.5429369 89503 303614516 614417 a-Alanine, conf. II
188967.6917 10.5182 -5.2523 3 494.5429369 89503 303614517 614418 a-Alanine, conf. II
188991.5148 4.0753 -5.1987 3 475.3844399 89503 303662937 662740 a-Alanine, conf. II
189005.9403 43.2071 -5.3012 3 456.5199393 89503 303652738 652541 a-Alanine, conf. II
189019.3974 1.3131 -3.0750 3 126.0384243 89503 30340 139 39 138 a-Alanine, conf. II
189019.3974 1.3131 -4.1866 3 126.0384243 89503 30340 139 39 238 a-Alanine, conf. II
189019.3974 1.3131 -4.1866 3 126.0384243 89503 30340 239 39 138 a-Alanine, conf. II
189019.3974 1.3131 -3.0750 3 126.0384243 89503 30340 239 39 238 a-Alanine, conf. II
189065.8679 0.2293 -3.3181 3 125.6812201 89503 303331915 321914 a-Alanine, conf. II
189066.0145 0.2293 -3.3181 3 125.6812201 89503 303331914 321913 a-Alanine, conf. II
189072.6951 20.0970 -5.2599 3 488.8738441 89503 303731162 731063 a-Alanine, conf. II
189072.6951 20.0970 -4.6779 3 488.8738441 89503 303731162 731163 a-Alanine, conf. II
189072.6951 20.0970 -4.6779 3 488.8738441 89503 303731262 731063 a-Alanine, conf. II
189072.6951 20.0970 -5.2599 3 488.8738441 89503 303731262 731163 a-Alanine, conf. II
189076.5279 35.3338 -5.2340 3 491.8727405 89503 303673038 672839 a-Alanine, conf. II
189116.0852 14.8599 -5.3032 3 559.3323465 89503 303771463 771364 a-Alanine, conf. II
189116.0852 14.8599 -4.7382 3 559.3323465 89503 303771463 771464 a-Alanine, conf. II
189116.0852 14.8599 -4.7382 3 559.3323465 89503 303771563 771364 a-Alanine, conf. II
189116.0852 14.8599 -5.3032 3 559.3323465 89503 303771563 771464 a-Alanine, conf. II
189120.1729 3.8177 -5.1066 3 303.5695315 89503 303522626 522429 a-Alanine, conf. II
189138.1732 0.2765 -5.2149 3 32.8703105 89503 3031712 5 1610 6 a-Alanine, conf. II
189147.4909 0.2766 -5.2148 3 32.8700105 89503 3031712 6 1610 7 a-Alanine, conf. II
189213.2949 10.5993 -5.2517 3 483.0364363 89503 303604515 604416 a-Alanine, conf. II
189213.2949 10.5993 -5.2517 3 483.0364363 89503 303604516 604417 a-Alanine, conf. II
189258.2815 40.8514 -5.3399 3 401.1178369 89503 303612536 612339 a-Alanine, conf. II
189271.5024 2.4779 -5.3086 3 182.2537237 89503 303392416 392217 a-Alanine, conf. II
189271.5783 2.4778 -5.3086 3 182.2537237 89503 303392415 392218 a-Alanine, conf. II
189277.9981 10.7411 -5.3948 3 667.9531447 89503 303744628 744529 a-Alanine, conf. II
189277.9981 10.7411 -5.3948 3 667.9531447 89503 303744629 744530 a-Alanine, conf. II
189283.2378 0.1517 -4.8444 3 87.2534177 89503 303291218 281117 a-Alanine, conf. II
189304.8987 58.0209 -5.3175 3 935.7788579 89503 303962769 962770 a-Alanine, conf. II
189304.8988 58.0209 -5.3175 3 935.7788579 89503 303962869 962670 a-Alanine, conf. II
189309.0580 2.1621 -4.9075 3 689.9000507 89503 303841965 841966 a-Alanine, conf. II
189309.0580 2.1621 -4.9075 3 689.9000507 89503 303842065 841866 a-Alanine, conf. II
189319.5086 0.4281 -3.1124 3 124.5623231 89503 30338 434 37 433 a-Alanine, conf. II
189319.5086 0.4281 -4.2740 3 124.5623231 89503 30338 434 37 533 a-Alanine, conf. II
189319.5086 0.4281 -4.2740 3 124.5623231 89503 30338 534 37 433 a-Alanine, conf. II
189319.5086 0.4281 -3.1124 3 124.5623231 89503 30338 534 37 533 a-Alanine, conf. II
189326.1255 24.8426 -4.8520 3 325.9690381 89503 30363 360 63 361 a-Alanine, conf. II
189326.1255 24.8426 -4.8520 3 325.9690381 89503 30363 460 63 261 a-Alanine, conf. II
189379.8660 0.4859 -4.4241 3 57.9090129 89503 3032117 4 2016 5 a-Alanine, conf. II
189379.8660 0.4859 -4.4241 3 57.9090129 89503 3032117 5 2016 4 a-Alanine, conf. II
189446.2920 10.6828 -5.2532 3 471.7229357 89503 303594514 594415 a-Alanine, conf. II
189446.2920 10.6828 -5.2532 3 471.7229357 89503 303594515 594416 a-Alanine, conf. II
189454.2963 0.0541 -3.1867 3 111.5470201 89503 303331222 321221 a-Alanine, conf. II
189494.6988 24.0360 -5.2751 3 404.4620411 89503 30368 761 68 662 a-Alanine, conf. II
189494.6988 24.0360 -4.6717 3 404.4620411 89503 30368 761 68 762 a-Alanine, conf. II
189494.6988 24.0360 -4.6717 3 404.4620411 89503 30368 861 68 662 a-Alanine, conf. II
189494.6988 24.0360 -5.2751 3 404.4620411 89503 30368 861 68 762 a-Alanine, conf. II
189617.6208 0.1847 -4.9592 3 38.3089117 89503 3031911 9 18 910 a-Alanine, conf. II
189667.1727 10.9352 -4.9963 3 748.3526525 89503 303872166 872167 a-Alanine, conf. II
189667.1727 10.9352 -4.9963 3 748.3526525 89503 303872266 872067 a-Alanine, conf. II
189667.1804 10.7682 -5.2570 3 460.6021351 89503 303584513 584414 a-Alanine, conf. II
189667.1804 10.7682 -5.2570 3 460.6021351 89503 303584514 584415 a-Alanine, conf. II
189684.6370 38.7424 -5.2018 3 871.3074561 89503 303932568 932569 a-Alanine, conf. II
189684.6370 38.7424 -5.2018 3 871.3074561 89503 303932668 932469 a-Alanine, conf. II
189687.8629 0.1550 -4.3861 3 121.2490219 89503 30336 729 35 828 a-Alanine, conf. II
189687.8666 0.1550 -3.1467 3 121.2490219 89503 30336 829 35 828 a-Alanine, conf. II
189687.8733 0.1550 -3.1467 3 121.2490219 89503 30336 729 35 728 a-Alanine, conf. II
189687.8770 0.1550 -4.3861 3 121.2490219 89503 30336 829 35 728 a-Alanine, conf. II
189698.0358 6.9616 -5.1367 3 409.6255369 89503 303612833 612636 a-Alanine, conf. II
189708.3789 10.7270 -5.3780 3 653.9300441 89503 303734627 734528 a-Alanine, conf. II
189708.3789 10.7270 -5.3780 3 653.9300441 89503 303734628 734529 a-Alanine, conf. II
189711.4745 0.1998 -3.2883 3 123.1566201 89503 303331816 321815 a-Alanine, conf. II
189713.4548 0.2000 -3.2883 3 123.1566201 89503 303331815 321814 a-Alanine, conf. II
189717.1346 10.7135 -5.2499 3 274.1880309 89503 303511833 502030 a-Alanine, conf. II
189736.4950 0.9058 -5.0781 3 136.5747219 89503 303361422 351521 a-Alanine, conf. II
189798.2999 23.2235 -5.0946 3 808.8268543 89503 303902367 902368 a-Alanine, conf. II
189798.2999 23.2235 -5.0946 3 808.8268543 89503 303902467 902268 a-Alanine, conf. II
189813.0656 2.7417 -5.3629 3 219.8715273 89503 303452025 442124 a-Alanine, conf. II
189829.8515 0.1444 -4.8227 3 76.1441165 89503 303271216 261115 a-Alanine, conf. II
189876.4388 10.8550 -5.2633 3 449.6740345 89503 303574512 574413 a-Alanine, conf. II
189876.4388 10.8550 -5.2633 3 449.6740345 89503 303574513 574414 a-Alanine, conf. II
189897.4264 0.1518 -4.8445 3 81.5919171 89503 303281217 271116 a-Alanine, conf. II
189919.8380 6.2813 -5.1490 3 256.2164297 89503 303491930 482127 a-Alanine, conf. II
189924.4574 0.1050 -4.7219 3 105.2118195 89503 303321221 311120 a-Alanine, conf. II
189929.9431 0.1622 -3.2080 3 108.7649195 89503 303321418 311417 a-Alanine, conf. II
189985.3923 10.2255 -5.3535 3 613.0034483 89503 303801664 801565 a-Alanine, conf. II
189985.3923 10.2255 -4.7999 3 613.0034483 89503 303801664 801665 a-Alanine, conf. II
189985.3923 10.2255 -4.7999 3 613.0034483 89503 303801764 801565 a-Alanine, conf. II
189985.3923 10.2255 -5.3535 3 613.0034483 89503 303801764 801665 a-Alanine, conf. II
189990.8770 2.8070 -5.1556 3 243.0829279 89503 303462522 462323 a-Alanine, conf. II
190001.2330 25.2216 -4.9848 3 309.7101375 89503 30362 260 62 261 a-Alanine, conf. II
190001.2330 25.2216 -4.9848 3 309.7101375 89503 30362 360 62 161 a-Alanine, conf. II
190001.7332 2.8019 -5.1555 3 243.0826279 89503 303462521 462324 a-Alanine, conf. II
190022.8440 0.1143 -5.0591 3 37.1299123 89503 30320 614 19 415 a-Alanine, conf. II
190035.9770 21.9511 -5.2574 3 470.2433435 89503 303721062 72 963 a-Alanine, conf. II
190035.9770 21.9511 -4.6697 3 470.2433435 89503 303721062 721063 a-Alanine, conf. II
190035.9770 21.9511 -4.6697 3 470.2433435 89503 303721162 72 963 a-Alanine, conf. II
190035.9770 21.9511 -5.2574 3 470.2433435 89503 303721162 721063 a-Alanine, conf. II
190074.5285 10.9429 -5.2726 3 438.9382339 89503 303564511 564412 a-Alanine, conf. II
190074.5285 10.9429 -5.2726 3 438.9382339 89503 303564512 564413 a-Alanine, conf. II
190119.1734 10.7293 -5.3622 3 640.1026435 89503 303724626 724527 a-Alanine, conf. II
190119.1734 10.7293 -5.3622 3 640.1026435 89503 303724627 724528 a-Alanine, conf. II
190186.2585 0.1398 -4.7518 3 65.8688153 89503 303251213 241114 a-Alanine, conf. II
190212.2060 17.5487 -5.2892 3 539.7704459 89503 303761363 761264 a-Alanine, conf. II
190212.2060 17.5487 -4.7181 3 539.7704459 89503 303761363 761364 a-Alanine, conf. II
190212.2060 17.5487 -4.7181 3 539.7704459 89503 303761463 761264 a-Alanine, conf. II
190212.2060 17.5487 -5.2892 3 539.7704459 89503 303761463 761364 a-Alanine, conf. II
190261.8944 11.0317 -5.2852 3 428.3945333 89503 303554510 554411 a-Alanine, conf. II
190261.8944 11.0317 -5.2852 3 428.3945333 89503 303554511 554412 a-Alanine, conf. II
190278.3145 11.6604 -5.1380 3 397.7625363 89503 303602833 602634 a-Alanine, conf. II
190303.0971 25.0450 -5.3009 3 387.0070405 89503 30367 661 67 562 a-Alanine, conf. II
190303.0971 25.0450 -4.6923 3 387.0070405 89503 30367 661 67 662 a-Alanine, conf. II
190303.0971 25.0450 -4.6923 3 387.0070405 89503 30367 761 67 562 a-Alanine, conf. II
190303.0971 25.0450 -5.3009 3 387.0070405 89503 30367 761 67 662 a-Alanine, conf. II
190316.5230 41.6764 -5.2948 3 485.5244405 89503 303672839 672642 a-Alanine, conf. II
190322.7162 0.6733 -5.3778 3 206.5273267 89503 303441827 431924 a-Alanine, conf. II
190331.3962 2.5173 -5.3471 3 174.7955231 89503 303382415 382216 a-Alanine, conf. II
190331.4190 2.5173 -5.3471 3 174.7955231 89503 303382414 382217 a-Alanine, conf. II
190438.9662 11.1209 -5.3018 3 418.0428327 89503 3035445 9 544410 a-Alanine, conf. II
190438.9662 11.1209 -5.3018 3 418.0428327 89503 303544510 544411 a-Alanine, conf. II
190441.2001 1.8791 -3.0560 3 128.2168249 89503 30341 041 40 040 a-Alanine, conf. II
190441.2001 1.8791 -4.1544 3 128.2168249 89503 30341 041 40 140 a-Alanine, conf. II
190441.2001 1.8791 -4.1544 3 128.2168249 89503 30341 141 40 040 a-Alanine, conf. II
190441.2001 1.8791 -3.0560 3 128.2168249 89503 30341 141 40 140 a-Alanine, conf. II
190482.9323 51.0971 -5.2848 3 535.7383423 89503 303703140 702941 a-Alanine, conf. II
190499.8019 6.3143 -5.1112 3 349.0059339 89503 303562730 562531 a-Alanine, conf. II
190511.1786 10.7459 -5.3474 3 626.4708429 89503 303714625 714526 a-Alanine, conf. II
190511.1786 10.7459 -5.3474 3 626.4708429 89503 303714626 714527 a-Alanine, conf. II
190513.5995 0.0855 -4.5607 3 115.9239207 89503 303341024 331123 a-Alanine, conf. II
190517.3788 0.1750 -3.2603 3 120.8086201 89503 303331717 321716 a-Alanine, conf. II
190539.1419 0.1768 -3.2602 3 120.8090201 89503 303331716 321715 a-Alanine, conf. II
190592.7223 0.0862 -3.1731 3 115.9239207 89503 303341124 331123 a-Alanine, conf. II
190599.6836 37.3944 -5.3703 3 374.7217357 89503 303592435 592238 a-Alanine, conf. II
190606.1587 11.2104 -5.3231 3 407.8829321 89503 3035345 8 5344 9 a-Alanine, conf. II
190606.1587 11.2104 -5.3231 3 407.8829321 89503 3035345 9 534410 a-Alanine, conf. II
190639.1645 0.3811 -4.4624 3 59.6834135 89503 3032216 7 2115 6 a-Alanine, conf. II
190639.1669 0.3811 -4.4624 3 59.6834135 89503 3032216 6 2115 7 a-Alanine, conf. II
190646.9262 25.4780 -5.2432 3 293.6885369 89503 30361 160 61 161 a-Alanine, conf. II
190646.9262 25.4780 -5.2432 3 293.6885369 89503 30361 260 61 061 a-Alanine, conf. II
190663.6461 4.0350 -4.8737 3 668.7306501 89503 303831865 831866 a-Alanine, conf. II
190663.6461 4.0350 -4.8737 3 668.7306501 89503 303831965 831766 a-Alanine, conf. II
190695.0565 0.0867 -3.1726 3 115.9179207 89503 303341024 331023 a-Alanine, conf. II
190702.2135 69.6518 -5.3879 3 977.7172591 89503 303982870 982871 a-Alanine, conf. II
190702.2137 69.6518 -5.3879 3 977.7172591 89503 303982970 982771 a-Alanine, conf. II
190752.1091 0.6776 -3.0937 3 127.3413237 89503 30339 336 38 335 a-Alanine, conf. II
190752.1091 0.6776 -4.2359 3 127.3413237 89503 30339 336 38 435 a-Alanine, conf. II
190752.1091 0.6776 -4.2359 3 127.3413237 89503 30339 436 38 335 a-Alanine, conf. II
190752.1091 0.6776 -3.0937 3 127.3413237 89503 30339 436 38 435 a-Alanine, conf. II
190763.8731 11.3000 -5.3501 3 397.9145315 89503 3035245 7 5244 8 a-Alanine, conf. II
190763.8731 11.3000 -5.3501 3 397.9145315 89503 3035245 8 5244 9 a-Alanine, conf. II
190771.8967 0.1714 -5.1341 3 58.5912147 89503 303241014 23 915 a-Alanine, conf. II
190774.1793 0.0876 -4.5594 3 115.9179207 89503 303341124 331023 a-Alanine, conf. II
190844.6194 0.0592 -3.1791 3 111.4534201 89503 303331122 321121 a-Alanine, conf. II
190885.1508 10.7748 -5.3337 3 613.0341423 89503 303704624 704525 a-Alanine, conf. II
190885.1508 10.7748 -5.3337 3 613.0341423 89503 303704625 704526 a-Alanine, conf. II
190912.4977 11.3893 -5.3842 3 388.1374309 89503 3035145 6 5144 7 a-Alanine, conf. II
190912.4977 11.3893 -5.3842 3 388.1374309 89503 3035145 7 5144 8 a-Alanine, conf. II
190958.1059 23.5932 -5.2598 3 451.8401429 89503 30371 962 71 863 a-Alanine, conf. II
190958.1059 23.5932 -4.6665 3 451.8401429 89503 30371 962 71 963 a-Alanine, conf. II
190958.1059 23.5932 -4.6665 3 451.8401429 89503 303711062 71 863 a-Alanine, conf. II
190958.1059 23.5932 -5.2598 3 451.8401429 89503 303711062 71 963 a-Alanine, conf. II
191002.6271 0.1067 -5.0564 3 37.1304123 89503 30320 714 19 515 a-Alanine, conf. II
191074.1445 0.2107 -4.3364 3 124.6546225 89503 30337 631 36 730 a-Alanine, conf. II
191074.1445 0.2107 -3.1289 3 124.6546225 89503 30337 731 36 730 a-Alanine, conf. II
191074.1446 0.2107 -3.1289 3 124.6546225 89503 30337 631 36 630 a-Alanine, conf. II
191074.1447 0.2107 -4.3364 3 124.6546225 89503 30337 731 36 630 a-Alanine, conf. II
191076.8940 25.8911 -5.3396 3 369.7846399 89503 30366 561 66 462 a-Alanine, conf. II
191076.8940 25.8911 -4.7257 3 369.7846399 89503 30366 561 66 562 a-Alanine, conf. II
191076.8940 25.8911 -4.7257 3 369.7846399 89503 30366 661 66 462 a-Alanine, conf. II
191076.8940 25.8911 -5.3396 3 369.7846399 89503 30366 661 66 562 a-Alanine, conf. II
191139.0519 5.4198 -4.9582 3 726.5005519 89503 303862066 862067 a-Alanine, conf. II
191139.0519 5.4198 -4.9582 3 726.5005519 89503 303862166 861967 a-Alanine, conf. II
191177.3166 13.6154 -5.3337 3 592.7421477 89503 303791564 791465 a-Alanine, conf. II
191177.3166 13.6154 -4.7737 3 592.7421477 89503 303791564 791565 a-Alanine, conf. II
191177.3166 13.6154 -4.7737 3 592.7421477 89503 303791664 791465 a-Alanine, conf. II
191177.3166 13.6154 -5.3337 3 592.7421477 89503 303791664 791565 a-Alanine, conf. II
191200.2659 47.9574 -5.2676 3 911.9231573 89503 303952669 952670 a-Alanine, conf. II
191200.2659 47.9574 -5.2676 3 911.9231573 89503 303952769 952570 a-Alanine, conf. II
191230.9694 6.6827 -5.1799 3 462.4205393 89503 303652936 652739 a-Alanine, conf. II
191241.8092 10.8143 -5.3211 3 599.7924417 89503 303694623 694524 a-Alanine, conf. II
191241.8092 10.8143 -5.3211 3 599.7924417 89503 303694624 694525 a-Alanine, conf. II
191261.2575 19.9802 -5.2784 3 520.4314453 89503 303751263 751164 a-Alanine, conf. II
191261.2575 19.9802 -4.7013 3 520.4314453 89503 303751263 751264 a-Alanine, conf. II
191261.2575 19.9802 -4.7013 3 520.4314453 89503 303751363 751164 a-Alanine, conf. II
191261.2575 19.9802 -5.2784 3 520.4314453 89503 303751363 751264 a-Alanine, conf. II
191285.9283 72.3416 -5.3430 3 581.4855441 89503 303733242 733043 a-Alanine, conf. II
191394.0805 5.1852 -5.1074 3 348.9766339 89503 303562729 562532 a-Alanine, conf. II
191398.0184 16.3278 -5.0524 3 786.2990537 89503 303892267 892268 a-Alanine, conf. II
191398.0184 16.3278 -5.0524 3 786.2990537 89503 303892367 892168 a-Alanine, conf. II
191420.6758 0.9297 -4.4773 3 183.6707207 89503 3033433 1 3333 0 a-Alanine, conf. II
191420.6758 0.9297 -4.4773 3 183.6707207 89503 3033433 2 3333 1 a-Alanine, conf. II
191424.6815 30.3838 -5.1557 3 848.1117555 89503 303922468 922469 a-Alanine, conf. II
191424.6815 30.3838 -5.1557 3 848.1117555 89503 303922568 922369 a-Alanine, conf. II
191494.7475 3.6859 -5.1129 3 293.4734309 89503 303512626 512427 a-Alanine, conf. II
191515.1377 0.1545 -3.2337 3 118.6479201 89503 303331618 321617 a-Alanine, conf. II
191529.0783 0.8674 -4.1726 3 179.0011207 89503 3033432 2 3332 1 a-Alanine, conf. II
191529.0783 0.8674 -4.1726 3 179.0011207 89503 3033432 3 3332 2 a-Alanine, conf. II
191581.8382 10.8629 -5.3096 3 586.7453411 89503 303684622 684523 a-Alanine, conf. II
191581.8382 10.8629 -5.3096 3 586.7453411 89503 303684623 684524 a-Alanine, conf. II
191609.3238 3.5962 -5.1124 3 293.4696309 89503 303512625 512428 a-Alanine, conf. II
191648.6512 0.8070 -3.9932 3 174.4787207 89503 3033431 3 3331 2 a-Alanine, conf. II
191648.6512 0.8070 -3.9932 3 174.4787207 89503 3033431 4 3331 3 a-Alanine, conf. II
191681.0352 0.1195 -4.4783 3 120.0421213 89503 30335 926 341025 a-Alanine, conf. II
191683.8683 0.1195 -3.1588 3 120.0421213 89503 303351026 341025 a-Alanine, conf. II
191688.1719 0.1196 -3.1588 3 120.0418213 89503 30335 926 34 925 a-Alanine, conf. II
191691.0049 0.1196 -4.4783 3 120.0418213 89503 303351026 34 925 a-Alanine, conf. II
191703.9418 0.1661 -3.2328 3 118.6521201 89503 303331617 321616 a-Alanine, conf. II
191715.5968 2.7721 -5.1741 3 234.2144273 89503 303452521 452322 a-Alanine, conf. II
191719.6657 2.7703 -5.1741 3 234.2142273 89503 303452520 452323 a-Alanine, conf. II
191780.9690 0.7487 -3.8653 3 170.1041207 89503 3033430 4 3330 3 a-Alanine, conf. II
191780.9690 0.7487 -3.8653 3 170.1041207 89503 3033430 5 3330 4 a-Alanine, conf. II
191816.2593 0.2944 -4.5075 3 61.8304141 89503 3032315 9 2214 8 a-Alanine, conf. II
191816.5439 0.2944 -4.5075 3 61.8303141 89503 3032315 8 2214 9 a-Alanine, conf. II
191817.6396 26.5835 -4.7776 3 352.7959393 89503 30365 461 65 462 a-Alanine, conf. II
191817.6396 26.5835 -4.7776 3 352.7959393 89503 30365 561 65 362 a-Alanine, conf. II
191841.0860 25.0344 -5.2683 3 433.6656423 89503 30370 862 70 763 a-Alanine, conf. II
191841.0860 25.0344 -4.6695 3 433.6656423 89503 30370 862 70 863 a-Alanine, conf. II
191841.0860 25.0344 -4.6695 3 433.6656423 89503 30370 962 70 763 a-Alanine, conf. II
191841.0860 25.0344 -5.2683 3 433.6656423 89503 30370 962 70 863 a-Alanine, conf. II
191905.8906 10.9194 -5.2994 3 573.8927405 89503 303674621 674522 a-Alanine, conf. II
191905.8906 10.9194 -5.2994 3 573.8927405 89503 303674622 674523 a-Alanine, conf. II
191927.9088 0.6923 -3.7657 3 165.8777207 89503 3033429 5 3329 4 a-Alanine, conf. II
191927.9088 0.6923 -3.7657 3 165.8777207 89503 3033429 6 3329 5 a-Alanine, conf. II
191958.5015 8.0717 -4.8422 3 647.7763495 89503 303821765 821766 a-Alanine, conf. II
191958.5015 8.0717 -4.8422 3 647.7763495 89503 303821865 821666 a-Alanine, conf. II
192015.1775 0.1945 -5.3225 3 52.8972141 89503 30323 914 22 815 a-Alanine, conf. II
192055.6020 0.0622 -3.1828 3 113.2387201 89503 303331321 321320 a-Alanine, conf. II
192091.7263 0.6379 -3.6843 3 161.8001207 89503 3033428 6 3328 5 a-Alanine, conf. II
192091.7263 0.6379 -3.6843 3 161.8001207 89503 3033428 7 3328 6 a-Alanine, conf. II
192136.2219 0.1720 -4.8783 3 42.0640123 89503 3032011 9 19 910 a-Alanine, conf. II
192149.6465 0.1424 -4.9378 3 64.5252153 89503 303251114 241015 a-Alanine, conf. II
192183.6671 1.0330 -3.0750 3 129.9344243 89503 30340 238 39 237 a-Alanine, conf. II
192183.6671 1.0330 -4.2006 3 129.9344243 89503 30340 238 39 337 a-Alanine, conf. II
192183.6671 1.0330 -4.2006 3 129.9344243 89503 30340 338 39 237 a-Alanine, conf. II
192183.6671 1.0330 -3.0750 3 129.9344243 89503 30340 338 39 337 a-Alanine, conf. II
192214.5898 10.9827 -5.2905 3 561.2342399 89503 303664620 664521 a-Alanine, conf. II
192214.5898 10.9827 -5.2905 3 561.2342399 89503 303664621 664522 a-Alanine, conf. II
192261.1780 0.0914 -4.6692 3 111.4534201 89503 303331222 321121 a-Alanine, conf. II
192265.7029 22.1666 -5.2713 3 501.3170447 89503 303741163 741064 a-Alanine, conf. II
192265.7029 22.1666 -4.6883 3 501.3170447 89503 303741163 741164 a-Alanine, conf. II
192265.7029 22.1666 -4.6883 3 501.3170447 89503 303741263 741064 a-Alanine, conf. II
192265.7029 22.1666 -5.2713 3 501.3170447 89503 303741263 741164 a-Alanine, conf. II
192275.1590 0.5856 -3.6154 3 157.8720207 89503 3033427 7 3327 6 a-Alanine, conf. II
192275.1590 0.5856 -3.6154 3 157.8720207 89503 3033427 8 3327 7 a-Alanine, conf. II
192317.9371 16.7183 -5.3164 3 572.7007471 89503 303781464 781365 a-Alanine, conf. II
192317.9371 16.7183 -4.7502 3 572.7007471 89503 303781464 781465 a-Alanine, conf. II
192317.9371 16.7183 -4.7502 3 572.7007471 89503 303781564 781365 a-Alanine, conf. II
192317.9371 16.7183 -5.3164 3 572.7007471 89503 303781564 781465 a-Alanine, conf. II
192335.4941 0.1434 -4.8095 3 43.5016129 89503 30321 913 20 714 a-Alanine, conf. II
192395.9092 0.7370 -4.3460 3 59.0037123 89503 3032019 1 1918 2 a-Alanine, conf. II
192395.9092 0.7370 -4.3460 3 59.0037123 89503 3032019 2 1918 1 a-Alanine, conf. II
192481.5643 0.5353 -3.5558 3 154.0942207 89503 3033426 8 3326 7 a-Alanine, conf. II
192481.5643 0.5353 -3.5558 3 154.0942207 89503 3033426 9 3326 8 a-Alanine, conf. II
192488.4621 0.3211 -3.1109 3 127.8621231 89503 30338 533 37 532 a-Alanine, conf. II
192488.4621 0.3211 -4.2923 3 127.8621231 89503 30338 533 37 632 a-Alanine, conf. II
192488.4621 0.3211 -4.2923 3 127.8621231 89503 30338 633 37 532 a-Alanine, conf. II
192488.4621 0.3211 -3.1109 3 127.8621231 89503 30338 633 37 632 a-Alanine, conf. II
192508.5317 11.0517 -5.2829 3 548.7697393 89503 303654619 654520 a-Alanine, conf. II
192508.5317 11.0517 -5.2829 3 548.7697393 89503 303654620 654521 a-Alanine, conf. II
192526.7825 27.1307 -4.8582 3 336.0421387 89503 30364 361 64 362 a-Alanine, conf. II
192526.7825 27.1307 -4.8582 3 336.0421387 89503 30364 461 64 262 a-Alanine, conf. II
192545.0021 1.9694 -4.9221 3 704.8598513 89503 303851966 851967 a-Alanine, conf. II
192545.0021 1.9694 -4.9221 3 704.8598513 89503 303852066 851867 a-Alanine, conf. II
192569.7638 0.1322 -3.2090 3 116.6844201 89503 303331519 321518 a-Alanine, conf. II
192627.6036 38.3105 -5.2971 3 515.3971417 89503 303692940 692743 a-Alanine, conf. II
192665.9794 58.4457 -5.3362 3 953.4048585 89503 303972770 972771 a-Alanine, conf. II
192665.9794 58.4457 -5.3362 3 953.4048585 89503 303972870 972671 a-Alanine, conf. II
192686.7709 26.2853 -5.2841 3 415.7210417 89503 30369 762 69 663 a-Alanine, conf. II
192686.7709 26.2853 -4.6800 3 415.7210417 89503 30369 762 69 763 a-Alanine, conf. II
192686.7709 26.2853 -4.6800 3 415.7210417 89503 30369 862 69 663 a-Alanine, conf. II
192686.7709 26.2853 -5.2841 3 415.7210417 89503 30369 862 69 763 a-Alanine, conf. II
192715.1127 0.4871 -3.5033 3 150.4678207 89503 3033425 9 3325 8 a-Alanine, conf. II
192715.1127 0.4871 -3.5033 3 150.4678207 89503 303342510 3325 9 a-Alanine, conf. II
192765.0819 0.0703 -3.1652 3 106.3970195 89503 303321220 311219 a-Alanine, conf. II
192788.2870 11.1256 -5.2768 3 536.4989387 89503 303644618 644519 a-Alanine, conf. II
192788.2870 11.1256 -5.2768 3 536.4989387 89503 303644619 644520 a-Alanine, conf. II
192809.0809 0.2249 -4.5640 3 64.3708147 89503 303241411 231310 a-Alanine, conf. II
192826.7971 0.2249 -4.5639 3 64.3703147 89503 303241410 231311 a-Alanine, conf. II
192860.8495 0.1932 -4.7700 3 119.6450207 89503 303341222 331321 a-Alanine, conf. II
192924.5229 9.9903 -5.0121 3 763.9790531 89503 303882167 882168 a-Alanine, conf. II
192924.5229 9.9903 -5.0121 3 763.9790531 89503 303882267 882068 a-Alanine, conf. II
192933.7920 0.1498 -4.4139 3 123.9188219 89503 30336 828 35 927 a-Alanine, conf. II
192933.8628 0.1498 -3.1430 3 123.9188219 89503 30336 928 35 927 a-Alanine, conf. II
192933.9836 0.1498 -3.1430 3 123.9188219 89503 30336 828 35 827 a-Alanine, conf. II
192934.0543 0.1498 -4.4139 3 123.9188219 89503 30336 928 35 827 a-Alanine, conf. II
192963.3546 6.9884 -5.1272 3 397.6749363 89503 303602832 602635 a-Alanine, conf. II
192981.0617 0.4411 -3.4566 3 146.9940207 89503 303342410 3324 9 a-Alanine, conf. II
192981.0617 0.4411 -3.4566 3 146.9940207 89503 303342411 332410 a-Alanine, conf. II
193003.2654 38.6213 -5.2196 3 888.2668567 89503 303942569 942570 a-Alanine, conf. II
193003.2654 38.6213 -5.2196 3 888.2668567 89503 303942669 942470 a-Alanine, conf. II
193054.0401 0.1537 -4.9127 3 42.1659129 89503 30321 714 20 515 a-Alanine, conf. II
193054.3489 0.0983 -3.1902 3 114.9063201 89503 303331420 321419 a-Alanine, conf. II
193054.4029 11.2037 -5.2723 3 524.4215381 89503 303634617 634518 a-Alanine, conf. II
193054.4029 11.2037 -5.2723 3 524.4215381 89503 303634618 634519 a-Alanine, conf. II
193082.8367 22.6413 -5.1114 3 825.1196549 89503 303912368 912369 a-Alanine, conf. II
193082.8367 22.6413 -5.1114 3 825.1196549 89503 303912468 912269 a-Alanine, conf. II
193113.6763 0.1709 -4.6441 3 67.3498153 89503 303251313 241212 a-Alanine, conf. II
193197.2163 11.9231 -5.3682 3 627.0387489 89503 303811665 811566 a-Alanine, conf. II
193197.2163 11.9231 -4.8131 3 627.0387489 89503 303811665 811666 a-Alanine, conf. II
193197.2163 11.9231 -4.8131 3 627.0387489 89503 303811765 811566 a-Alanine, conf. II
193197.2163 11.9231 -5.3682 3 627.0387489 89503 303811765 811666 a-Alanine, conf. II
193205.6795 27.5409 -4.9906 3 319.5244381 89503 30363 261 63 262 a-Alanine, conf. II
193205.6795 27.5409 -4.9906 3 319.5244381 89503 30363 361 63 162 a-Alanine, conf. II
193227.8017 24.1199 -5.2683 3 482.4284441 89503 303731063 73 964 a-Alanine, conf. II
193227.8017 24.1199 -4.6797 3 482.4284441 89503 303731063 731064 a-Alanine, conf. II
193227.8017 24.1199 -4.6797 3 482.4284441 89503 303731163 73 964 a-Alanine, conf. II
193227.8017 24.1199 -5.2683 3 482.4284441 89503 303731163 731064 a-Alanine, conf. II
193231.6273 3.0477 -5.3218 3 208.7810267 89503 303441925 432024 a-Alanine, conf. II
193237.0359 0.1532 -4.7726 3 44.7009129 89503 303211012 20 813 a-Alanine, conf. II
193282.5379 2.7608 -5.1955 3 225.5540267 89503 303442520 442321 a-Alanine, conf. II
193284.0044 2.7602 -5.1955 3 225.5540267 89503 303442519 442322 a-Alanine, conf. II
193286.1569 0.3975 -3.4145 3 143.6744207 89503 303342311 332310 a-Alanine, conf. II
193286.1569 0.3975 -3.4145 3 143.6744207 89503 303342312 332311 a-Alanine, conf. II
193307.4044 11.2853 -5.2695 3 512.5373375 89503 303624616 624517 a-Alanine, conf. II
193307.4044 11.2853 -5.2695 3 512.5373375 89503 303624617 624518 a-Alanine, conf. II
193358.4190 9.7110 -5.2160 3 278.0646309 89503 303512031 502228 a-Alanine, conf. II
193400.0464 0.0750 -4.6315 3 117.8665207 89503 303341123 331222 a-Alanine, conf. II
193410.0678 19.5413 -5.3020 3 552.8809465 89503 303771364 771265 a-Alanine, conf. II
193410.0678 19.5413 -4.7297 3 552.8809465 89503 303771364 771365 a-Alanine, conf. II
193410.0678 19.5413 -4.7297 3 552.8809465 89503 303771464 771265 a-Alanine, conf. II
193410.0678 19.5413 -5.3020 3 552.8809465 89503 303771464 771365 a-Alanine, conf. II
193496.8803 27.3560 -5.3094 3 398.0077411 89503 30368 662 68 563 a-Alanine, conf. II
193496.8803 27.3560 -4.7002 3 398.0077411 89503 30368 662 68 663 a-Alanine, conf. II
193496.8803 27.3560 -4.7002 3 398.0077411 89503 30368 762 68 563 a-Alanine, conf. II
193496.8803 27.3560 -5.3094 3 398.0077411 89503 30368 762 68 663 a-Alanine, conf. II
193547.7961 11.3697 -5.2686 3 500.8462369 89503 303614615 614516 a-Alanine, conf. II
193547.7961 11.3697 -5.2686 3 500.8462369 89503 303614616 614517 a-Alanine, conf. II
193577.0705 1.4595 -5.0098 3 244.5988291 89503 303481830 472027 a-Alanine, conf. II
193610.2019 1.5152 -3.0565 3 132.3434249 89503 30341 140 40 139 a-Alanine, conf. II
193610.2019 1.5152 -4.1676 3 132.3434249 89503 30341 140 40 239 a-Alanine, conf. II
193610.2019 1.5152 -4.1676 3 132.3434249 89503 30341 240 40 139 a-Alanine, conf. II
193610.2019 1.5152 -3.0565 3 132.3434249 89503 30341 240 40 239 a-Alanine, conf. II
193639.2422 0.3563 -3.3762 3 140.5110207 89503 303342213 332212 a-Alanine, conf. II
193639.2423 0.3563 -3.3762 3 140.5110207 89503 303342212 332211 a-Alanine, conf. II
193689.0815 0.1721 -4.6422 3 67.3348153 89503 303251312 241213 a-Alanine, conf. II
193695.5688 17.1429 -5.1664 3 437.2352381 89503 303632935 632736 a-Alanine, conf. II
193703.3734 0.5955 -4.3776 3 60.2636129 89503 3032118 3 2017 4 a-Alanine, conf. II
193703.3734 0.5955 -4.3776 3 60.2636129 89503 3032118 4 2017 3 a-Alanine, conf. II
193705.2963 0.1496 -3.1675 3 107.4319195 89503 303321319 311318 a-Alanine, conf. II
193715.6262 0.4865 -4.9039 3 127.9775213 89503 303351322 341421 a-Alanine, conf. II
193716.4739 0.1805 -4.6181 3 52.8404141 89503 30323 914 22 715 a-Alanine, conf. II
193775.1455 0.1871 -3.2033 3 116.7183201 89503 303331518 321517 a-Alanine, conf. II
193776.0635 11.4566 -5.2698 3 489.3479363 89503 303604614 604515 a-Alanine, conf. II
193776.0635 11.4566 -5.2698 3 489.3479363 89503 303604615 604516 a-Alanine, conf. II
193835.6805 3.4607 -5.1210 3 283.5860303 89503 303502625 502426 a-Alanine, conf. II
193842.8816 14.7842 -5.2697 3 532.2160423 89503 303703040 702843 a-Alanine, conf. II
193855.6049 27.8221 -5.2485 3 303.2438375 89503 30362 161 62 162 a-Alanine, conf. II
193855.6049 27.8221 -5.2485 3 303.2438375 89503 30362 261 62 062 a-Alanine, conf. II
193860.4824 2.5718 -5.2560 3 179.6157249 89503 303411724 401823 a-Alanine, conf. II
193883.5718 3.4262 -5.1208 3 283.5844303 89503 303502624 502427 a-Alanine, conf. II
193889.2314 5.4330 -4.8881 3 683.4325507 89503 303841866 841867 a-Alanine, conf. II
193889.2314 5.4330 -4.8881 3 683.4325507 89503 303841966 841767 a-Alanine, conf. II
193889.9784 5.2928 -5.1083 3 338.0748333 89503 303552729 552530 a-Alanine, conf. II
193912.7884 0.1830 -4.7757 3 47.4102135 89503 30322 814 21 615 a-Alanine, conf. II
193915.6289 0.5103 -3.0929 3 130.8774237 89503 30339 435 38 434 a-Alanine, conf. II
193915.6289 0.5103 -4.2524 3 130.8774237 89503 30339 435 38 534 a-Alanine, conf. II
193915.6289 0.5103 -4.2524 3 130.8774237 89503 30339 535 38 434 a-Alanine, conf. II
193915.6289 0.5103 -3.0929 3 130.8774237 89503 30339 535 38 534 a-Alanine, conf. II
193963.2236 1.2450 -5.3401 3 217.3827273 89503 303451927 442024 a-Alanine, conf. II
193992.6739 11.5453 -5.2732 3 478.0421357 89503 303594613 594514 a-Alanine, conf. II
193992.6739 11.5453 -5.2732 3 478.0421357 89503 303594614 594515 a-Alanine, conf. II
194052.2278 0.3179 -3.3411 3 137.5063207 89503 303342114 332113 a-Alanine, conf. II
194052.2296 0.3179 -3.3411 3 137.5063207 89503 303342113 332112 a-Alanine, conf. II
194081.4089 0.0731 -3.1649 3 117.8665207 89503 303341223 331222 a-Alanine, conf. II
194085.7458 4.8245 -5.2411 3 518.4722417 89503 303693039 692842 a-Alanine, conf. II
194149.6335 25.8520 -5.2703 3 463.7672435 89503 30372 963 72 864 a-Alanine, conf. II
194149.6335 25.8520 -4.6761 3 463.7672435 89503 30372 963 72 964 a-Alanine, conf. II
194149.6335 25.8520 -4.6761 3 463.7672435 89503 303721063 72 864 a-Alanine, conf. II
194149.6335 25.8520 -5.2703 3 463.7672435 89503 303721063 72 964 a-Alanine, conf. II
194197.1242 8.3159 -5.1644 3 449.6604387 89503 303642935 642738 a-Alanine, conf. II
194198.0778 11.6356 -5.2793 3 466.9288351 89503 303584612 584513 a-Alanine, conf. II
194198.0778 11.6356 -5.2793 3 466.9288351 89503 303584613 584514 a-Alanine, conf. II
194222.8192 0.2663 -5.1092 3 36.1196111 89503 3031812 6 1710 7 a-Alanine, conf. II
194256.0973 0.2665 -5.1091 3 36.1185111 89503 3031812 7 1710 8 a-Alanine, conf. II
194273.0145 28.2563 -5.3476 3 380.5268405 89503 30367 562 67 463 a-Alanine, conf. II
194273.0145 28.2563 -4.7332 3 380.5268405 89503 30367 562 67 563 a-Alanine, conf. II
194273.0145 28.2563 -4.7332 3 380.5268405 89503 30367 662 67 463 a-Alanine, conf. II
194273.0145 28.2563 -5.3476 3 380.5268405 89503 30367 662 67 563 a-Alanine, conf. II
194277.0955 0.1861 -4.3598 3 127.5763225 89503 30337 730 36 829 a-Alanine, conf. II
194277.0968 0.1861 -3.1263 3 127.5763225 89503 30337 830 36 829 a-Alanine, conf. II
194277.0992 0.1861 -3.1263 3 127.5763225 89503 30337 730 36 729 a-Alanine, conf. II
194277.1004 0.1861 -4.3598 3 127.5763225 89503 30337 830 36 729 a-Alanine, conf. II
194304.3374 4.8046 -5.1066 3 338.0612333 89503 303552728 552531 a-Alanine, conf. II
194382.7977 4.3496 -4.9737 3 741.8687525 89503 303872067 872068 a-Alanine, conf. II
194382.7977 4.3496 -4.9737 3 741.8687525 89503 303872167 871968 a-Alanine, conf. II
194383.0334 15.4784 -5.3479 3 606.5195483 89503 303801565 801466 a-Alanine, conf. II
194383.0334 15.4784 -4.7866 3 606.5195483 89503 303801565 801566 a-Alanine, conf. II
194383.0334 15.4784 -4.7866 3 606.5195483 89503 303801665 801466 a-Alanine, conf. II
194383.0334 15.4784 -5.3479 3 606.5195483 89503 303801665 801566 a-Alanine, conf. II
194392.7101 11.7270 -5.2882 3 456.0076345 89503 303574611 574512 a-Alanine, conf. II
194392.7101 11.7270 -5.2882 3 456.0076345 89503 303574612 574513 a-Alanine, conf. II
194456.2755 22.0961 -5.2908 3 533.2840459 89503 303761264 761165 a-Alanine, conf. II
194456.2755 22.0961 -4.7126 3 533.2840459 89503 303761264 761265 a-Alanine, conf. II
194456.2755 22.0961 -4.7126 3 533.2840459 89503 303761364 761165 a-Alanine, conf. II
194456.2755 22.0961 -5.2908 3 533.2840459 89503 303761364 761265 a-Alanine, conf. II
194519.4071 0.1823 -4.8748 3 41.9818123 89503 303201110 19 911 a-Alanine, conf. II
194533.5000 48.0421 -5.2863 3 929.2899579 89503 303962670 962671 a-Alanine, conf. II
194533.5000 48.0421 -5.2863 3 929.2899579 89503 303962770 962571 a-Alanine, conf. II
194541.7086 0.2827 -3.3088 3 134.6637207 89503 303342015 332014 a-Alanine, conf. II
194541.7402 0.2827 -3.3088 3 134.6637207 89503 303342014 332013 a-Alanine, conf. II
194576.9905 11.8193 -5.3005 3 445.2784339 89503 303564610 564511 a-Alanine, conf. II
194576.9905 11.8193 -5.3005 3 445.2784339 89503 303564611 564512 a-Alanine, conf. II
194665.0804 15.4844 -5.0690 3 802.3335543 89503 303902268 902269 a-Alanine, conf. II
194665.0804 15.4844 -5.0690 3 802.3335543 89503 303902368 902169 a-Alanine, conf. II
194709.7053 2.7672 -5.2199 3 217.1003261 89503 303432519 432320 a-Alanine, conf. II
194710.2131 2.7670 -5.2199 3 217.1002261 89503 303432518 432321 a-Alanine, conf. II
194721.1672 29.9593 -5.1734 3 864.8122561 89503 303932469 932470 a-Alanine, conf. II
194721.1672 29.9593 -5.1734 3 864.8122561 89503 303932569 932370 a-Alanine, conf. II
194751.3246 11.9120 -5.3168 3 434.7410333 89503 3035546 9 554510 a-Alanine, conf. II
194751.3246 11.9120 -5.3168 3 434.7410333 89503 303554610 554511 a-Alanine, conf. II
194775.7693 0.1669 -4.7976 3 46.0221129 89503 303211110 20 911 a-Alanine, conf. II
194816.6049 0.0771 -3.1611 3 117.8193207 89503 303341123 331122 a-Alanine, conf. II
194878.2787 8.8529 -5.1255 3 385.9850357 89503 303592832 592633 a-Alanine, conf. II
194916.1048 12.0051 -5.3377 3 424.3952327 89503 3035446 8 5445 9 a-Alanine, conf. II
194916.1048 12.0051 -5.3377 3 424.3952327 89503 3035446 9 544510 a-Alanine, conf. II
194918.6717 11.5199 -5.3688 3 646.4443435 89503 303724725 724626 a-Alanine, conf. II
194918.6717 11.5199 -5.3688 3 646.4443435 89503 303724726 724627 a-Alanine, conf. II
194987.4272 0.4738 -4.4126 3 61.8782135 89503 3032217 6 2116 5 a-Alanine, conf. II
194987.4273 0.4738 -4.4126 3 61.8782135 89503 3032217 5 2116 6 a-Alanine, conf. II
195016.6664 28.9953 -4.7847 3 363.2795399 89503 30366 462 66 463 a-Alanine, conf. II
195016.6664 28.9953 -4.7847 3 363.2795399 89503 30366 562 66 363 a-Alanine, conf. II
195029.0195 2.1480 -3.0382 3 134.5692255 89503 30342 042 41 041 a-Alanine, conf. II
195029.0195 2.1480 -4.1364 3 134.5692255 89503 30342 042 41 141 a-Alanine, conf. II
195029.0195 2.1480 -4.1364 3 134.5692255 89503 30342 142 41 041 a-Alanine, conf. II
195029.0195 2.1480 -3.0382 3 134.5692255 89503 30342 142 41 141 a-Alanine, conf. II
195033.1190 27.3743 -5.2782 3 445.3345429 89503 30371 863 71 764 a-Alanine, conf. II
195033.1190 27.3743 -4.6787 3 445.3345429 89503 30371 863 71 864 a-Alanine, conf. II
195033.1190 27.3743 -4.6787 3 445.3345429 89503 30371 963 71 764 a-Alanine, conf. II
195033.1190 27.3743 -5.2782 3 445.3345429 89503 30371 963 71 864 a-Alanine, conf. II
195071.7109 12.0982 -5.3644 3 414.2408321 89503 3035346 7 5345 8 a-Alanine, conf. II
195071.7109 12.0982 -5.3644 3 414.2408321 89503 3035346 8 5345 9 a-Alanine, conf. II
195079.4641 0.1101 -4.5217 3 122.2814213 89503 303351025 341124 a-Alanine, conf. II
195113.0965 0.1105 -3.1524 3 122.2814213 89503 303351125 341124 a-Alanine, conf. II
195123.3126 1.9744 -5.3440 3 228.6191279 89503 303462027 452124 a-Alanine, conf. II
195131.7522 0.2514 -3.2787 3 131.9877207 89503 303341916 331915 a-Alanine, conf. II
195132.2184 0.2515 -3.2787 3 131.9877207 89503 303341915 331914 a-Alanine, conf. II
195158.5869 0.1108 -3.1522 3 122.2788213 89503 303351025 341024 a-Alanine, conf. II
195175.5119 9.7340 -4.8564 3 662.2203501 89503 303831766 831767 a-Alanine, conf. II
195175.5119 9.7340 -4.8564 3 662.2203501 89503 303831866 831667 a-Alanine, conf. II
195192.2193 0.1113 -4.5211 3 122.2788213 89503 303351125 341024 a-Alanine, conf. II
195224.9766 2.5191 -5.3654 3 240.2156285 89503 303472127 462224 a-Alanine, conf. II
195282.0912 11.5521 -5.3547 3 632.8255429 89503 303714724 714625 a-Alanine, conf. II
195282.0912 11.5521 -5.3547 3 632.8255429 89503 303714725 714626 a-Alanine, conf. II
195346.6601 0.7967 -3.0749 3 133.7041243 89503 30340 337 39 336 a-Alanine, conf. II
195346.6601 0.7967 -4.2157 3 133.7041243 89503 30340 337 39 436 a-Alanine, conf. II
195346.6601 0.7967 -4.2157 3 133.7041243 89503 30340 437 39 336 a-Alanine, conf. II
195346.6601 0.7967 -3.0749 3 133.7041243 89503 30340 437 39 436 a-Alanine, conf. II
195348.7002 6.9507 -5.1071 3 264.0708303 89503 303501832 492029 a-Alanine, conf. II
195458.9109 24.3952 -5.2832 3 513.9116453 89503 303751164 751065 a-Alanine, conf. II
195458.9109 24.3952 -4.6992 3 513.9116453 89503 303751164 751165 a-Alanine, conf. II
195458.9109 24.3952 -4.6992 3 513.9116453 89503 303751264 751065 a-Alanine, conf. II
195458.9109 24.3952 -5.2832 3 513.9116453 89503 303751264 751165 a-Alanine, conf. II
195497.9674 0.0920 -4.6204 3 117.8193207 89503 303341223 331122 a-Alanine, conf. II
195518.8930 18.7320 -5.3302 3 586.2203477 89503 303791465 791366 a-Alanine, conf. II
195518.8930 18.7320 -4.7627 3 586.2203477 89503 303791465 791466 a-Alanine, conf. II
195518.8930 18.7320 -4.7627 3 586.2203477 89503 303791565 791366 a-Alanine, conf. II
195518.8930 18.7320 -5.3302 3 586.2203477 89503 303791565 791466 a-Alanine, conf. II
195628.9900 11.5948 -5.3418 3 619.4013423 89503 303704723 704624 a-Alanine, conf. II
195628.9900 11.5948 -5.3418 3 619.4013423 89503 303704724 704625 a-Alanine, conf. II
195668.4830 0.2537 -3.1092 3 131.0282231 89503 30338 632 37 631 a-Alanine, conf. II
195668.4830 0.2537 -4.3125 3 131.0282231 89503 30338 632 37 731 a-Alanine, conf. II
195668.4830 0.2537 -4.3125 3 131.0282231 89503 30338 732 37 631 a-Alanine, conf. II
195668.4830 0.2537 -3.1092 3 131.0282231 89503 30338 732 37 731 a-Alanine, conf. II
195729.2327 29.5821 -4.8649 3 346.2671393 89503 30365 362 65 363 a-Alanine, conf. II
195729.2327 29.5821 -4.8649 3 346.2671393 89503 30365 462 65 263 a-Alanine, conf. II
195747.8212 13.8838 -5.2912 3 300.8132321 89503 303532132 522329 a-Alanine, conf. II
195777.2760 2.6270 -4.9374 3 719.9701519 89503 303861967 861968 a-Alanine, conf. II
195777.2760 2.6270 -4.9374 3 719.9701519 89503 303862067 861868 a-Alanine, conf. II
195858.0044 0.2250 -3.2505 3 129.4847207 89503 303341817 331816 a-Alanine, conf. II
195863.6844 0.2256 -3.2505 3 129.4848207 89503 303341816 331815 a-Alanine, conf. II
195879.7987 0.1527 -4.4666 3 58.4208147 89503 303241014 23 815 a-Alanine, conf. II
195880.0372 28.6977 -5.2936 3 427.1317423 89503 30370 763 70 664 a-Alanine, conf. II
195880.0372 28.6977 -4.6889 3 427.1317423 89503 30370 763 70 764 a-Alanine, conf. II
195880.0372 28.6977 -4.6889 3 427.1317423 89503 30370 863 70 664 a-Alanine, conf. II
195880.0372 28.6977 -5.2936 3 427.1317423 89503 30370 863 70 764 a-Alanine, conf. II
195893.4218 6.5928 -5.2184 3 504.9180411 89503 303683038 682841 a-Alanine, conf. II
195905.6954 33.2313 -5.3074 3 546.1380429 89503 303713041 712844 a-Alanine, conf. II
195937.6868 3.3173 -5.1318 3 273.9129297 89503 303492624 492425 a-Alanine, conf. II
195956.9905 3.3045 -5.1317 3 273.9122297 89503 303492623 492426 a-Alanine, conf. II
195960.0033 11.6467 -5.3300 3 606.1715417 89503 303694722 694623 a-Alanine, conf. II
195960.0033 11.6467 -5.3300 3 606.1715417 89503 303694723 694624 a-Alanine, conf. II
196011.6710 2.7871 -5.2475 3 208.8518255 89503 303422518 422319 a-Alanine, conf. II
196011.8397 2.7870 -5.2474 3 208.8518255 89503 303422517 422320 a-Alanine, conf. II
196014.8043 58.7612 -5.3556 3 971.1788591 89503 303982771 982772 a-Alanine, conf. II
196014.8043 58.7612 -5.3556 3 971.1788591 89503 303982871 982672 a-Alanine, conf. II
196176.6825 8.9192 -5.0285 3 779.7553537 89503 303892168 892169 a-Alanine, conf. II
196176.6825 8.9192 -5.0285 3 779.7553537 89503 303892268 892069 a-Alanine, conf. II
196209.4010 6.6247 -5.1201 3 385.9415357 89503 303592831 592634 a-Alanine, conf. II
196219.7242 0.3710 -4.4524 3 63.8573141 89503 3032316 8 2215 7 a-Alanine, conf. II
196219.7360 0.3710 -4.4524 3 63.8573141 89503 3032316 7 2215 8 a-Alanine, conf. II
196238.6981 0.1463 -4.4466 3 126.4360219 89503 30336 927 351026 a-Alanine, conf. II
196239.8034 0.1463 -3.1384 3 126.4360219 89503 303361027 351026 a-Alanine, conf. II
196241.5311 0.1464 -3.1384 3 126.4359219 89503 30336 927 35 926 a-Alanine, conf. II
196242.6365 0.1464 -4.4466 3 126.4359219 89503 303361027 35 926 a-Alanine, conf. II
196275.7380 11.7064 -5.3195 3 593.1358411 89503 303684721 684622 a-Alanine, conf. II
196275.7380 11.7064 -5.3195 3 593.1358411 89503 303684722 684623 a-Alanine, conf. II
196289.7918 0.1345 -4.9079 3 42.1692129 89503 30321 814 20 615 a-Alanine, conf. II
196312.5278 38.3787 -5.2381 3 905.3748573 89503 303952570 952571 a-Alanine, conf. II
196312.5278 38.3787 -5.2381 3 905.3748573 89503 303952670 952471 a-Alanine, conf. II
196360.3170 21.9294 -5.1289 3 841.5618555 89503 303922369 922370 a-Alanine, conf. II
196360.3170 21.9294 -5.1289 3 841.5618555 89503 303922469 922270 a-Alanine, conf. II
196384.3925 1.4744 -5.1071 3 152.6971231 89503 303381523 371622 a-Alanine, conf. II
196407.2415 13.7759 -4.8270 3 641.2249495 89503 303821666 821667 a-Alanine, conf. II
196407.2415 13.7759 -4.8270 3 641.2249495 89503 303821766 821567 a-Alanine, conf. II
196412.0233 30.0251 -4.9969 3 329.4905387 89503 30364 262 64 263 a-Alanine, conf. II
196412.0233 30.0251 -4.9969 3 329.4905387 89503 30364 362 64 163 a-Alanine, conf. II
196420.1340 26.4513 -5.2798 3 494.7651447 89503 303741064 74 965 a-Alanine, conf. II
196420.1340 26.4513 -4.6903 3 494.7651447 89503 303741064 741065 a-Alanine, conf. II
196420.1340 26.4513 -4.6903 3 494.7651447 89503 303741164 74 965 a-Alanine, conf. II
196420.1340 26.4513 -5.2798 3 494.7651447 89503 303741164 741065 a-Alanine, conf. II
196530.8352 0.1664 -4.7105 3 50.2231135 89503 303221111 21 912 a-Alanine, conf. II
196576.7747 11.7729 -5.3102 3 580.2940405 89503 303674720 674621 a-Alanine, conf. II
196576.7747 11.7729 -5.3102 3 580.2940405 89503 303674721 674622 a-Alanine, conf. II
196607.4727 21.6936 -5.3154 3 566.1426471 89503 303781365 781266 a-Alanine, conf. II
196607.4727 21.6936 -4.7419 3 566.1426471 89503 303781365 781366 a-Alanine, conf. II
196607.4727 21.6936 -4.7419 3 566.1426471 89503 303781465 781266 a-Alanine, conf. II
196607.4727 21.6936 -5.3154 3 566.1426471 89503 303781465 781366 a-Alanine, conf. II
196648.4923 0.0801 -5.2179 3 35.6064123 89503 30320 515 19 316 a-Alanine, conf. II
196662.2954 25.1964 -5.2032 3 478.5887399 89503 303663037 662838 a-Alanine, conf. II
196692.0415 29.8327 -5.3185 3 409.1600417 89503 30369 663 69 564 a-Alanine, conf. II
196692.0415 29.8327 -4.7086 3 409.1600417 89503 30369 663 69 664 a-Alanine, conf. II
196692.0415 29.8327 -4.7086 3 409.1600417 89503 30369 763 69 564 a-Alanine, conf. II
196692.0415 29.8327 -5.3185 3 409.1600417 89503 30369 763 69 664 a-Alanine, conf. II
196707.1550 0.8812 -4.3042 3 61.6611123 89503 3032020 0 1919 1 a-Alanine, conf. II
196707.1550 0.8812 -4.3042 3 61.6611123 89503 3032020 1 1919 0 a-Alanine, conf. II
196715.1610 16.6546 -5.3066 3 307.3426327 89503 303541935 532132 a-Alanine, conf. II
196746.3090 0.0791 -5.2176 3 35.6065123 89503 30320 615 19 416 a-Alanine, conf. II
196765.6703 0.2042 -3.2237 3 127.1636207 89503 303341718 331717 a-Alanine, conf. II
196775.9222 1.1996 -3.0569 3 136.3450249 89503 30341 239 40 238 a-Alanine, conf. II
196775.9222 1.1996 -4.1816 3 136.3450249 89503 30341 239 40 338 a-Alanine, conf. II
196775.9222 1.1996 -4.1816 3 136.3450249 89503 30341 339 40 238 a-Alanine, conf. II
196775.9222 1.1996 -3.0569 3 136.3450249 89503 30341 339 40 338 a-Alanine, conf. II
196814.8948 4.6601 -5.1089 3 327.3694327 89503 303542728 542529 a-Alanine, conf. II
196821.6347 0.2091 -3.2235 3 127.1648207 89503 303341717 331716 a-Alanine, conf. II
196836.3008 0.0652 -3.1510 3 112.8270201 89503 303331221 321220 a-Alanine, conf. II
196863.6694 11.8451 -5.3023 3 567.6458399 89503 303664719 664620 a-Alanine, conf. II
196863.6694 11.8451 -5.3023 3 567.6458399 89503 303664720 664621 a-Alanine, conf. II
196886.8467 3.3211 -5.3567 3 240.2123285 89503 303472126 462225 a-Alanine, conf. II
196942.7263 3.0235 -5.0159 3 254.2002297 89503 303491831 482028 a-Alanine, conf. II
196999.8622 4.4583 -5.1082 3 327.3634327 89503 303542727 542530 a-Alanine, conf. II
197034.2189 1.0272 -4.4755 3 194.8691213 89503 3033534 1 3434 0 a-Alanine, conf. II
197034.2189 1.0272 -4.4755 3 194.8691213 89503 3033534 2 3434 1 a-Alanine, conf. II
197066.2694 30.3326 -5.2544 3 312.9510381 89503 30363 162 63 163 a-Alanine, conf. II
197066.2694 30.3326 -5.2544 3 312.9510381 89503 30363 262 63 063 a-Alanine, conf. II
197084.1818 0.3851 -3.0919 3 134.2828237 89503 30339 534 38 533 a-Alanine, conf. II
197084.1818 0.3851 -4.2703 3 134.2828237 89503 30339 534 38 633 a-Alanine, conf. II
197084.1818 0.3851 -4.2703 3 134.2828237 89503 30339 634 38 533 a-Alanine, conf. II
197084.1818 0.3851 -3.0919 3 134.2828237 89503 30339 634 38 633 a-Alanine, conf. II
197111.9227 7.0173 -4.9031 3 698.2849513 89503 303851867 851868 a-Alanine, conf. II
197111.9227 7.0173 -4.9031 3 698.2849513 89503 303851967 851768 a-Alanine, conf. II
197119.0600 0.0726 -3.1587 3 119.6450207 89503 303341322 331321 a-Alanine, conf. II
197136.9556 11.9223 -5.2959 3 555.1911393 89503 303654718 654619 a-Alanine, conf. II
197136.9556 11.9223 -5.2959 3 555.1911393 89503 303654719 654620 a-Alanine, conf. II
197141.9631 0.9614 -4.1704 3 190.0558213 89503 3033533 2 3433 1 a-Alanine, conf. II
197141.9631 0.9614 -4.1704 3 190.0558213 89503 3033533 3 3433 2 a-Alanine, conf. II
197200.6129 2.8174 -5.2783 3 200.8073249 89503 303412517 412318 a-Alanine, conf. II
197200.6665 2.8174 -5.2783 3 200.8073249 89503 303412516 412319 a-Alanine, conf. II
197236.0129 0.1412 -4.7803 3 70.7266159 89503 303261214 251115 a-Alanine, conf. II
197260.4741 0.8976 -3.9905 3 185.3898213 89503 3033532 3 3432 2 a-Alanine, conf. II
197260.4741 0.8976 -3.9905 3 185.3898213 89503 3033532 4 3432 3 a-Alanine, conf. II
197341.9365 28.2767 -5.2813 3 475.8458441 89503 30373 964 73 865 a-Alanine, conf. II
197341.9365 28.2767 -4.6864 3 475.8458441 89503 30373 964 73 965 a-Alanine, conf. II
197341.9365 28.2767 -4.6864 3 475.8458441 89503 303731064 73 865 a-Alanine, conf. II
197341.9365 28.2767 -5.2813 3 475.8458441 89503 303731064 73 965 a-Alanine, conf. II
197343.8246 0.2865 -4.5002 3 66.2159147 89503 303241510 2314 9 a-Alanine, conf. II
197344.9346 0.2865 -4.5001 3 66.2159147 89503 3032415 9 231410 a-Alanine, conf. II
197391.2179 0.8359 -3.8621 3 180.8714213 89503 3033531 4 3431 3 a-Alanine, conf. II
197391.2179 0.8359 -3.8621 3 180.8714213 89503 3033531 5 3431 4 a-Alanine, conf. II
197397.1455 12.0037 -5.2911 3 542.9296387 89503 303644717 644618 a-Alanine, conf. II
197397.1455 12.0037 -5.2911 3 542.9296387 89503 303644718 644619 a-Alanine, conf. II
197470.6719 30.7893 -5.3562 3 391.4207411 89503 30368 563 68 464 a-Alanine, conf. II
197470.6719 30.7893 -4.7413 3 391.4207411 89503 30368 563 68 564 a-Alanine, conf. II
197470.6719 30.7893 -4.7413 3 391.4207411 89503 30368 663 68 464 a-Alanine, conf. II
197470.6719 30.7893 -5.3562 3 391.4207411 89503 30368 663 68 564 a-Alanine, conf. II
197500.0413 8.7401 -5.1515 3 437.1115381 89503 303632934 632737 a-Alanine, conf. II
197513.1681 0.1794 -4.3863 3 130.3544225 89503 30337 829 36 928 a-Alanine, conf. II
197513.1939 0.1794 -3.1231 3 130.3544225 89503 30337 929 36 928 a-Alanine, conf. II
197513.2388 0.1794 -3.1231 3 130.3544225 89503 30337 829 36 828 a-Alanine, conf. II
197513.2646 0.1794 -4.3863 3 130.3544225 89503 30337 929 36 828 a-Alanine, conf. II
197535.9319 0.7762 -3.7621 3 176.5012213 89503 3033530 5 3430 4 a-Alanine, conf. II
197535.9319 0.7762 -3.7621 3 176.5012213 89503 3033530 6 3430 5 a-Alanine, conf. II
197587.4956 17.5006 -4.8001 3 620.4479489 89503 303811566 811567 a-Alanine, conf. II
197587.4956 17.5006 -4.8001 3 620.4479489 89503 303811666 811467 a-Alanine, conf. II
197622.3184 3.2704 -4.9899 3 757.3870531 89503 303882068 882069 a-Alanine, conf. II
197622.3184 3.2704 -4.9899 3 757.3870531 89503 303882168 881969 a-Alanine, conf. II
197644.7313 12.0886 -5.2880 3 530.8611381 89503 303634716 634617 a-Alanine, conf. II
197644.7313 12.0886 -5.2880 3 530.8611381 89503 303634717 634618 a-Alanine, conf. II
197651.2198 24.3756 -5.3037 3 546.2879465 89503 303771265 771166 a-Alanine, conf. II
197651.2198 24.3756 -4.7245 3 546.2879465 89503 303771265 771266 a-Alanine, conf. II
197651.2198 24.3756 -4.7245 3 546.2879465 89503 303771365 771166 a-Alanine, conf. II
197651.2198 24.3756 -5.3037 3 546.2879465 89503 303771365 771266 a-Alanine, conf. II
197663.3857 0.2270 -3.1650 3 115.1003201 89503 303331419 321418 a-Alanine, conf. II
197696.6912 0.7187 -3.6801 3 172.2797213 89503 3033529 6 3429 5 a-Alanine, conf. II
197696.6912 0.7187 -3.6801 3 172.2797213 89503 3033529 7 3429 6 a-Alanine, conf. II
197839.8565 3.2280 -5.1453 3 264.4515291 89503 303482623 482424 a-Alanine, conf. II
197844.5896 0.1681 -4.6543 3 72.2127159 89503 303261314 251213 a-Alanine, conf. II
197847.3595 3.2234 -5.1452 3 264.4513291 89503 303482622 482425 a-Alanine, conf. II
197850.0005 0.1857 -3.1982 3 125.0362207 89503 303341619 331618 a-Alanine, conf. II
197856.4128 48.0062 -5.3056 3 946.8051585 89503 303972671 972672 a-Alanine, conf. II
197856.4128 48.0062 -5.3056 3 946.8051585 89503 303972771 972572 a-Alanine, conf. II
197875.9961 0.6633 -3.6108 3 168.2076213 89503 3033528 7 3428 6 a-Alanine, conf. II
197875.9961 0.6633 -3.6108 3 168.2076213 89503 3033528 8 3428 7 a-Alanine, conf. II
197880.1868 12.1764 -5.2867 3 518.9854375 89503 303624715 624616 a-Alanine, conf. II
197880.1868 12.1764 -5.2867 3 518.9854375 89503 303624716 624617 a-Alanine, conf. II
197926.2929 14.5059 -5.0863 3 818.5175549 89503 303912269 912270 a-Alanine, conf. II
197926.2929 14.5059 -5.0863 3 818.5175549 89503 303912369 912170 a-Alanine, conf. II
197943.3691 0.1684 -4.6092 3 54.6572141 89503 303231112 22 913 a-Alanine, conf. II
198009.8075 29.4042 -5.1917 3 881.6619567 89503 303942470 942471 a-Alanine, conf. II
198009.8075 29.4042 -5.1917 3 881.6619567 89503 303942570 942371 a-Alanine, conf. II
198020.0994 0.7210 -4.3340 3 62.7681129 89503 3032119 2 2018 3 a-Alanine, conf. II
198020.0994 0.7210 -4.3340 3 62.7681129 89503 3032119 3 2018 2 a-Alanine, conf. II
198076.8895 0.6101 -3.5507 3 164.2856213 89503 3033527 8 3427 7 a-Alanine, conf. II
198076.8895 0.6101 -3.5507 3 164.2856213 89503 3033527 9 3427 8 a-Alanine, conf. II
198103.9684 12.2666 -5.2876 3 507.3023369 89503 303614714 614615 a-Alanine, conf. II
198103.9684 12.2666 -5.2876 3 507.3023369 89503 303614715 614616 a-Alanine, conf. II
198199.7091 1.7410 -3.0391 3 138.8015255 89503 30342 141 41 140 a-Alanine, conf. II
198199.7091 1.7410 -4.1497 3 138.8015255 89503 30342 141 41 240 a-Alanine, conf. II
198199.7091 1.7410 -4.1497 3 138.8015255 89503 30342 241 41 140 a-Alanine, conf. II
198199.7091 1.7410 -3.0391 3 138.8015255 89503 30342 241 41 240 a-Alanine, conf. II
198210.9679 0.2193 -4.5616 3 68.9795153 89503 303251412 241311 a-Alanine, conf. II
198217.3673 31.5771 -4.7924 3 373.9149405 89503 30367 463 67 464 a-Alanine, conf. II
198217.3673 31.5771 -4.7924 3 373.9149405 89503 30367 563 67 364 a-Alanine, conf. II
198226.1605 29.8832 -5.2888 3 457.1550435 89503 30372 864 72 765 a-Alanine, conf. II
198226.1605 29.8832 -4.6886 3 457.1550435 89503 30372 864 72 865 a-Alanine, conf. II
198226.1605 29.8832 -4.6886 3 457.1550435 89503 30372 964 72 765 a-Alanine, conf. II
198226.1605 29.8832 -5.2888 3 457.1550435 89503 30372 964 72 865 a-Alanine, conf. II
198257.4556 0.3779 -5.2880 3 34.3345105 89503 3031713 4 1611 5 a-Alanine, conf. II
198257.8841 0.3779 -5.2880 3 34.3344105 89503 3031713 5 1611 6 a-Alanine, conf. II
198265.8589 0.2193 -4.5614 3 68.9780153 89503 303251411 241312 a-Alanine, conf. II
198278.3387 0.2151 -3.1963 3 125.0467207 89503 303341618 331617 a-Alanine, conf. II
198286.9368 2.8558 -5.3127 3 192.9656243 89503 303402516 402317 a-Alanine, conf. II
198286.9532 2.8558 -5.3127 3 192.9656243 89503 303402515 402318 a-Alanine, conf. II
198303.1170 0.5591 -3.4977 3 160.5147213 89503 3033526 9 3426 8 a-Alanine, conf. II
198303.1170 0.5591 -3.4977 3 160.5147213 89503 303352610 3426 9 a-Alanine, conf. II
198316.5162 12.3588 -5.2907 3 495.8115363 89503 303604713 604614 a-Alanine, conf. II
198316.5162 12.3588 -5.2907 3 495.8115363 89503 303604714 604615 a-Alanine, conf. II
198318.0975 0.0945 -4.5809 3 124.3404213 89503 303351124 341223 a-Alanine, conf. II
198390.3020 11.5578 -4.8711 3 676.8149507 89503 303841767 841768 a-Alanine, conf. II
198390.3020 11.5578 -4.8711 3 676.8149507 89503 303841867 841668 a-Alanine, conf. II
198510.7470 0.6048 -3.0745 3 137.3457243 89503 30340 436 39 435 a-Alanine, conf. II
198510.7470 0.6048 -4.2320 3 137.3457243 89503 30340 436 39 535 a-Alanine, conf. II
198510.7470 0.6048 -4.2320 3 137.3457243 89503 30340 536 39 435 a-Alanine, conf. II
198510.7470 0.6048 -3.0745 3 137.3457243 89503 30340 536 39 535 a-Alanine, conf. II
198518.2548 12.4526 -5.2964 3 484.5130357 89503 303594712 594613 a-Alanine, conf. II
198518.2548 12.4526 -5.2964 3 484.5130357 89503 303594713 594614 a-Alanine, conf. II
198559.3522 0.5105 -3.4505 3 156.8961213 89503 303352510 3425 9 a-Alanine, conf. II
198559.3522 0.5105 -3.4505 3 156.8961213 89503 303352511 342510 a-Alanine, conf. II
198633.5626 0.0967 -3.1448 3 124.3404213 89503 303351224 341223 a-Alanine, conf. II
198652.3796 26.7914 -5.2956 3 526.6577459 89503 303761165 761066 a-Alanine, conf. II
198652.3796 26.7914 -4.7108 3 526.6577459 89503 303761165 761166 a-Alanine, conf. II
198652.3796 26.7914 -4.7108 3 526.6577459 89503 303761265 761066 a-Alanine, conf. II
198652.3796 26.7914 -5.2956 3 526.6577459 89503 303761265 761166 a-Alanine, conf. II
198664.6461 9.5475 -5.1995 3 491.5635405 89503 303673037 672840 a-Alanine, conf. II
198678.7134 7.1242 -5.1180 3 374.4474351 89503 303582831 582632 a-Alanine, conf. II
198709.5945 12.5476 -5.3050 3 473.4065351 89503 303584711 584612 a-Alanine, conf. II
198709.5945 12.5476 -5.3050 3 473.4065351 89503 303584712 584613 a-Alanine, conf. II
198719.0691 20.9096 -5.3446 3 599.8910483 89503 303801466 801367 a-Alanine, conf. II
198719.0691 20.9096 -4.7759 3 599.8910483 89503 303801466 801467 a-Alanine, conf. II
198719.0691 20.9096 -4.7759 3 599.8910483 89503 303801566 801367 a-Alanine, conf. II
198719.0691 20.9096 -5.3446 3 599.8910483 89503 303801566 801467 a-Alanine, conf. II
198809.4338 0.1101 -3.1611 3 121.3459207 89503 303341421 331420 a-Alanine, conf. II
198810.6711 0.1570 -3.1757 3 123.1078207 89503 303341520 331519 a-Alanine, conf. II
198851.5193 0.4643 -3.4079 3 153.4312213 89503 303352411 342410 a-Alanine, conf. II
198851.5193 0.4643 -3.4079 3 153.4312213 89503 303352412 342411 a-Alanine, conf. II
198866.9354 0.2220 -4.3351 3 134.0566231 89503 30338 731 37 830 a-Alanine, conf. II
198866.9359 0.2220 -3.1070 3 134.0566231 89503 30338 831 37 830 a-Alanine, conf. II
198866.9367 0.2220 -3.1070 3 134.0566231 89503 30338 731 37 730 a-Alanine, conf. II
198866.9371 0.2220 -4.3351 3 134.0566231 89503 30338 831 37 730 a-Alanine, conf. II
198890.9320 12.6434 -5.3169 3 462.4918345 89503 303574710 574611 a-Alanine, conf. II
198890.9320 12.6434 -5.3169 3 462.4918345 89503 303574711 574612 a-Alanine, conf. II
198933.4753 32.2053 -4.8722 3 356.6438399 89503 30366 363 66 364 a-Alanine, conf. II
198933.4753 32.2053 -4.8722 3 356.6438399 89503 30366 463 66 264 a-Alanine, conf. II
198935.6773 12.6387 -5.1486 3 424.8419375 89503 303622934 622735 a-Alanine, conf. II
198999.4600 0.0996 -3.1430 3 124.3176213 89503 303351124 341123 a-Alanine, conf. II
199006.1598 3.8786 -4.9533 3 735.2306525 89503 303871968 871969 a-Alanine, conf. II
199006.1598 3.8786 -4.9533 3 735.2306525 89503 303872068 871869 a-Alanine, conf. II
199062.6508 12.7397 -5.3329 3 451.7688339 89503 3035647 9 564610 a-Alanine, conf. II
199062.6508 12.7397 -5.3329 3 451.7688339 89503 303564710 564611 a-Alanine, conf. II
199074.5153 31.2819 -5.3037 3 438.6941429 89503 30371 764 71 665 a-Alanine, conf. II
199074.5153 31.2819 -4.6983 3 438.6941429 89503 30371 764 71 765 a-Alanine, conf. II
199074.5153 31.2819 -4.6983 3 438.6941429 89503 30371 864 71 665 a-Alanine, conf. II
199074.5153 31.2819 -5.3037 3 438.6941429 89503 30371 864 71 765 a-Alanine, conf. II
199136.9252 36.7714 -5.2484 3 521.8225417 89503 303693139 692940 a-Alanine, conf. II
199141.3286 0.2565 -5.0138 3 39.5728117 89503 3031912 7 1810 8 a-Alanine, conf. II
199187.2731 0.4208 -3.3692 3 150.1218213 89503 303352312 342311 a-Alanine, conf. II
199187.2731 0.4208 -3.3692 3 150.1218213 89503 303352313 342312 a-Alanine, conf. II
199225.1227 12.8364 -5.3535 3 441.2372333 89503 3035547 8 5546 9 a-Alanine, conf. II
199225.1227 12.8364 -5.3535 3 441.2372333 89503 3035547 9 554610 a-Alanine, conf. II
199247.3057 0.2571 -5.0135 3 39.5692117 89503 3031912 8 1810 9 a-Alanine, conf. II
199267.6449 0.1692 -4.6501 3 72.1763159 89503 303261313 251214 a-Alanine, conf. II
199279.6754 2.9004 -5.3509 3 185.3258237 89503 303392515 392316 a-Alanine, conf. II
199279.6801 2.9004 -5.3509 3 185.3258237 89503 303392514 392317 a-Alanine, conf. II
199312.4287 6.1199 -5.1155 3 374.4266351 89503 303582830 582633 a-Alanine, conf. II
199314.9251 0.1064 -4.5759 3 124.3176213 89503 303351224 341123 a-Alanine, conf. II
199319.1384 0.5814 -4.3663 3 64.2260135 89503 3032218 4 2117 5 a-Alanine, conf. II
199319.1384 0.5814 -4.3663 3 64.2260135 89503 3032218 5 2117 4 a-Alanine, conf. II
199394.5652 4.2554 -5.1126 3 316.8844321 89503 303532727 532528 a-Alanine, conf. II
199423.5031 9.3853 -5.2909 3 563.4205435 89503 303723141 722944 a-Alanine, conf. II
199424.0313 7.7215 -5.0456 3 795.6814543 89503 303902169 902170 a-Alanine, conf. II
199424.0313 7.7215 -5.0456 3 795.6814543 89503 303902269 902070 a-Alanine, conf. II
199462.8963 3.3558 -5.2621 3 198.0340261 89503 303431825 421924 a-Alanine, conf. II
199474.2315 4.1752 -5.1123 3 316.8817321 89503 303532726 532529 a-Alanine, conf. II
199569.7856 3.1768 -5.1614 3 255.1999285 89503 303472622 472423 a-Alanine, conf. II
199572.5967 3.1751 -5.1614 3 255.1998285 89503 303472621 472424 a-Alanine, conf. II
199576.7405 0.3803 -3.3337 3 146.9701213 89503 303352214 342213 a-Alanine, conf. II
199576.7409 0.3803 -3.3337 3 146.9701213 89503 303352213 342212 a-Alanine, conf. II
199606.4512 0.1830 -4.7975 3 45.8533129 89503 303211111 20 912 a-Alanine, conf. II
199613.0192 28.9540 -5.2918 3 507.2533453 89503 303751065 75 966 a-Alanine, conf. II
199613.0192 28.9540 -4.7014 3 507.2533453 89503 303751065 751066 a-Alanine, conf. II
199613.0192 28.9540 -4.7014 3 507.2533453 89503 303751165 75 966 a-Alanine, conf. II
199613.0192 28.9540 -5.2918 3 507.2533453 89503 303751165 751066 a-Alanine, conf. II
199613.1086 38.0055 -5.2573 3 922.6315579 89503 303962571 962572 a-Alanine, conf. II
199613.1086 38.0055 -5.2573 3 922.6315579 89503 303962671 962472 a-Alanine, conf. II
199615.4792 2.4462 -3.0214 3 141.0747261 89503 30343 043 42 042 a-Alanine, conf. II
199615.4792 2.4462 -4.1195 3 141.0747261 89503 30343 043 42 142 a-Alanine, conf. II
199615.4792 2.4462 -4.1195 3 141.0747261 89503 30343 143 42 042 a-Alanine, conf. II
199615.4792 2.4462 -3.0214 3 141.0747261 89503 30343 143 42 142 a-Alanine, conf. II
199615.6330 15.7922 -4.8414 3 655.5618501 89503 303831667 831668 a-Alanine, conf. II
199615.6330 15.7922 -4.8414 3 655.5618501 89503 303831767 831568 a-Alanine, conf. II
199620.2611 32.6827 -5.0037 3 339.6084393 89503 30365 263 65 264 a-Alanine, conf. II
199620.2611 32.6827 -5.0037 3 339.6084393 89503 30365 363 65 164 a-Alanine, conf. II
199624.3873 0.1381 -4.4863 3 128.7897219 89503 303361026 351125 a-Alanine, conf. II
199631.2512 21.0791 -5.1471 3 858.1533561 89503 303932370 932371 a-Alanine, conf. II
199631.2512 21.0791 -5.1471 3 858.1533561 89503 303932470 932271 a-Alanine, conf. II
199638.3659 0.1383 -3.1328 3 128.7897219 89503 303361126 351125 a-Alanine, conf. II
199658.0197 0.1386 -3.1327 3 128.7886219 89503 303361026 351025 a-Alanine, conf. II
199671.9982 0.1388 -4.4860 3 128.7886219 89503 303361126 351025 a-Alanine, conf. II
199715.3518 3.6741 -5.3182 3 228.6082279 89503 303462026 452125 a-Alanine, conf. II
199723.0675 0.1477 -4.6831 3 126.2202213 89503 303351223 341322 a-Alanine, conf. II
199744.3239 0.8923 -5.3409 3 226.2029279 89503 303461928 452025 a-Alanine, conf. II
199804.5124 24.0141 -5.3293 3 579.5555477 89503 303791366 791267 a-Alanine, conf. II
199804.5124 24.0141 -4.7548 3 579.5555477 89503 303791366 791367 a-Alanine, conf. II
199804.5124 24.0141 -4.7548 3 579.5555477 89503 303791466 791267 a-Alanine, conf. II
199804.5124 24.0141 -5.3293 3 579.5555477 89503 303791466 791367 a-Alanine, conf. II
199888.5909 32.4837 -5.3281 3 420.4641423 89503 30370 664 70 565 a-Alanine, conf. II
199888.5909 32.4837 -4.7177 3 420.4641423 89503 30370 664 70 665 a-Alanine, conf. II
199888.5909 32.4837 -4.7177 3 420.4641423 89503 30370 764 70 565 a-Alanine, conf. II
199888.5909 32.4837 -5.3281 3 420.4641423 89503 30370 764 70 665 a-Alanine, conf. II
199940.0545 0.9319 -3.0572 3 140.2202249 89503 30341 338 40 337 a-Alanine, conf. II
199940.0545 0.9319 -4.1966 3 140.2202249 89503 30341 338 40 437 a-Alanine, conf. II
199940.0545 0.9319 -4.1966 3 140.2202249 89503 30341 438 40 337 a-Alanine, conf. II
199940.0545 0.9319 -3.0572 3 140.2202249 89503 30341 438 40 437 a-Alanine, conf. II
200033.7210 0.3431 -3.3010 3 143.9792213 89503 303352115 342114 a-Alanine, conf. II
200033.7275 0.3431 -3.3010 3 143.9792213 89503 303352114 342113 a-Alanine, conf. II
200035.5430 0.1680 -4.5005 3 59.3021147 89503 303241113 23 914 a-Alanine, conf. II
200083.0749 26.6346 -5.3247 3 577.7473441 89503 303733142 732945 a-Alanine, conf. II
200195.3670 0.1593 -3.1341 3 113.8932201 89503 303331320 321319 a-Alanine, conf. II
200262.4754 0.3039 -3.0906 3 137.5550237 89503 30339 633 38 632 a-Alanine, conf. II
200262.4754 0.3039 -4.2901 3 137.5550237 89503 30339 633 38 732 a-Alanine, conf. II
200262.4754 0.3039 -4.2901 3 137.5550237 89503 30339 733 38 632 a-Alanine, conf. II
200262.4754 0.3039 -3.0906 3 137.5550237 89503 30339 733 38 732 a-Alanine, conf. II
200278.9150 33.0177 -5.2608 3 322.8099387 89503 30364 163 64 164 a-Alanine, conf. II
200278.9150 33.0177 -5.2608 3 322.8099387 89503 30364 263 64 064 a-Alanine, conf. II
200331.9487 8.7805 -4.9188 3 713.2877519 89503 303861868 861869 a-Alanine, conf. II
200331.9487 8.7805 -4.9188 3 713.2877519 89503 303861968 861769 a-Alanine, conf. II
200424.1873 0.0753 -3.1393 3 119.3927207 89503 303341222 331221 a-Alanine, conf. II
200535.0476 30.8760 -5.2928 3 488.0760447 89503 30374 965 74 866 a-Alanine, conf. II
200535.0476 30.8760 -4.6971 3 488.0760447 89503 30374 965 74 966 a-Alanine, conf. II
200535.0476 30.8760 -4.6971 3 488.0760447 89503 303741065 74 866 a-Alanine, conf. II
200535.0476 30.8760 -5.2928 3 488.0760447 89503 303741065 74 966 a-Alanine, conf. II
200577.7282 0.3099 -3.2706 3 141.1529213 89503 303352016 342015 a-Alanine, conf. II
200577.8332 0.3099 -3.2706 3 141.1529213 89503 303352015 342014 a-Alanine, conf. II
200585.3291 0.4616 -4.4023 3 66.0424141 89503 3032317 7 2216 6 a-Alanine, conf. II
200585.3295 0.4616 -4.4023 3 66.0424141 89503 3032317 6 2216 7 a-Alanine, conf. II
200641.5508 12.5304 -5.3407 3 612.7080417 89503 303694821 694722 a-Alanine, conf. II
200641.5508 12.5304 -5.3407 3 612.7080417 89503 303694822 694723 a-Alanine, conf. II
200667.0764 5.7356 -5.2641 3 549.2784429 89503 303713140 712943 a-Alanine, conf. II
200669.8709 33.4989 -4.7499 3 402.4664417 89503 30369 564 69 565 a-Alanine, conf. II
200669.8709 33.4989 -4.7499 3 402.4664417 89503 30369 664 69 465 a-Alanine, conf. II
200712.9264 0.1640 -4.7238 3 48.7167135 89503 303221013 21 814 a-Alanine, conf. II
200732.0966 3.6658 -5.0271 3 265.9088303 89503 303501931 492128 a-Alanine, conf. II
200790.8359 19.6909 -4.8142 3 634.5272495 89503 303821567 821568 a-Alanine, conf. II
200790.8359 19.6909 -4.8142 3 634.5272495 89503 303821667 821468 a-Alanine, conf. II
200801.0892 0.1767 -4.4171 3 132.9818225 89503 30337 928 361027 a-Alanine, conf. II
200801.5138 0.1767 -3.1191 3 132.9818225 89503 303371028 361027 a-Alanine, conf. II
200802.1946 0.1767 -3.1191 3 132.9818225 89503 30337 928 36 927 a-Alanine, conf. II
200802.6191 0.1767 -4.4171 3 132.9818225 89503 303371028 36 927 a-Alanine, conf. II
200846.1614 26.8276 -5.3172 3 559.4431471 89503 303781266 781167 a-Alanine, conf. II
200846.1614 26.8276 -4.7369 3 559.4431471 89503 303781266 781267 a-Alanine, conf. II
200846.1614 26.8276 -4.7369 3 559.4431471 89503 303781366 781167 a-Alanine, conf. II
200846.1614 26.8276 -5.3172 3 559.4431471 89503 303781366 781267 a-Alanine, conf. II
200857.9258 2.4250 -5.0067 3 773.0554537 89503 303892069 892070 a-Alanine, conf. II
200857.9258 2.4250 -5.0067 3 773.0554537 89503 303892169 891970 a-Alanine, conf. II
200873.8181 8.4535 -5.1410 3 424.7786375 89503 303622933 622736 a-Alanine, conf. II
200935.3606 12.6001 -5.3311 3 599.6829411 89503 303684820 684721 a-Alanine, conf. II
200935.3606 12.6001 -5.3311 3 599.6829411 89503 303684821 684722 a-Alanine, conf. II
201081.5839 53.0103 -5.3015 3 566.9355435 89503 303723241 723042 a-Alanine, conf. II
201096.6053 0.2692 -3.1647 3 123.1819207 89503 303341519 331518 a-Alanine, conf. II
201148.2023 3.1533 -5.1801 3 246.1562279 89503 303462621 462422 a-Alanine, conf. II
201149.2168 3.1527 -5.1801 3 246.1562279 89503 303462620 462423 a-Alanine, conf. II
201169.7570 47.8406 -5.3256 3 964.4685591 89503 303982672 982673 a-Alanine, conf. II
201169.7570 47.8406 -5.3256 3 964.4685591 89503 303982772 982573 a-Alanine, conf. II
201182.0760 13.3851 -5.1043 3 834.8511555 89503 303922270 922271 a-Alanine, conf. II
201182.0760 13.3851 -5.1043 3 834.8511555 89503 303922370 922171 a-Alanine, conf. II
201215.6007 12.6755 -5.3229 3 586.8511405 89503 303674819 674720 a-Alanine, conf. II
201215.6007 12.6755 -5.3229 3 586.8511405 89503 303674820 674721 a-Alanine, conf. II
201237.4291 0.2816 -3.2422 3 138.4966213 89503 303351917 341916 a-Alanine, conf. II
201238.8328 0.2818 -3.2421 3 138.4966213 89503 303351916 341915 a-Alanine, conf. II
201291.1650 28.7095 -5.2107 3 898.6604573 89503 303952471 952472 a-Alanine, conf. II
201291.1650 28.7095 -5.2107 3 898.6604573 89503 303952571 952372 a-Alanine, conf. II
201366.9209 1.3867 -3.0399 3 142.9087255 89503 30342 240 41 239 a-Alanine, conf. II
201366.9209 1.3867 -4.1637 3 142.9087255 89503 30342 240 41 339 a-Alanine, conf. II
201366.9209 1.3867 -4.1637 3 142.9087255 89503 30342 340 41 239 a-Alanine, conf. II
201366.9209 1.3867 -3.0399 3 142.9087255 89503 30342 340 41 339 a-Alanine, conf. II
201419.7429 34.3375 -4.8006 3 384.7021411 89503 30368 464 68 465 a-Alanine, conf. II
201419.7429 34.3375 -4.8006 3 384.7021411 89503 30368 564 68 365 a-Alanine, conf. II
201420.2332 32.5697 -5.2999 3 469.1272441 89503 30373 865 73 766 a-Alanine, conf. II
201420.2332 32.5697 -4.6989 3 469.1272441 89503 30373 865 73 866 a-Alanine, conf. II
201420.2332 32.5697 -4.6989 3 469.1272441 89503 30373 965 73 766 a-Alanine, conf. II
201420.2332 32.5697 -5.2999 3 469.1272441 89503 30373 965 73 866 a-Alanine, conf. II
201482.7709 12.7560 -5.3162 3 574.2125399 89503 303664818 664719 a-Alanine, conf. II
201482.7709 12.7560 -5.3162 3 574.2125399 89503 303664819 664720 a-Alanine, conf. II
201603.0577 13.5505 -4.8864 3 691.5601513 89503 303851768 851769 a-Alanine, conf. II
201603.0577 13.5505 -4.8864 3 691.5601513 89503 303851868 851669 a-Alanine, conf. II
201666.1865 0.1177 -5.0410 3 40.6834129 89503 30321 615 20 416 a-Alanine, conf. II
201679.0928 0.4591 -3.0739 3 140.8569243 89503 30340 535 39 534 a-Alanine, conf. II
201679.0928 0.4591 -4.2496 3 140.8569243 89503 30340 535 39 634 a-Alanine, conf. II
201679.0928 0.4591 -4.2496 3 140.8569243 89503 30340 635 39 534 a-Alanine, conf. II
201679.0928 0.4591 -3.0739 3 140.8569243 89503 30340 635 39 634 a-Alanine, conf. II
201703.9557 3.9896 -5.1189 3 306.6157315 89503 303522726 522527 a-Alanine, conf. II
201737.0880 3.9589 -5.1188 3 306.6146315 89503 303522725 522528 a-Alanine, conf. II
201737.3513 12.8407 -5.3110 3 561.7669393 89503 303654817 654718 a-Alanine, conf. II
201737.3513 12.8407 -5.3110 3 561.7669393 89503 303654818 654719 a-Alanine, conf. II
201783.0733 0.3610 -4.4440 3 68.2287147 89503 3032416 9 2315 8 a-Alanine, conf. II
201783.1273 0.3610 -4.4440 3 68.2287147 89503 3032416 8 2315 9 a-Alanine, conf. II
201846.1631 29.3640 -5.3087 3 539.5551465 89503 303771166 771067 a-Alanine, conf. II
201846.1631 29.3640 -4.7229 3 539.5551465 89503 303771166 771167 a-Alanine, conf. II
201846.1631 29.3640 -4.7229 3 539.5551465 89503 303771266 771067 a-Alanine, conf. II
201846.1631 29.3640 -5.3087 3 539.5551465 89503 303771266 771167 a-Alanine, conf. II
201918.5707 23.2598 -4.7897 3 613.7126489 89503 303811467 811468 a-Alanine, conf. II
201918.5707 23.2598 -4.7897 3 613.7126489 89503 303811567 811368 a-Alanine, conf. II
201921.4936 6.0471 -5.1144 3 363.1400345 89503 303572830 572631 a-Alanine, conf. II
201927.5253 0.1683 -4.6728 3 77.3057165 89503 303271315 261214 a-Alanine, conf. II
201943.0811 10.7223 -5.1834 3 478.4175399 89503 303663036 662839 a-Alanine, conf. II
201959.7672 0.0882 -3.1374 3 126.2202213 89503 303351323 341322 a-Alanine, conf. II
201979.8046 12.9290 -5.3075 3 549.5140387 89503 303644816 644717 a-Alanine, conf. II
201979.8046 12.9290 -5.3075 3 549.5140387 89503 303644817 644718 a-Alanine, conf. II
202054.2375 0.2595 -3.2152 3 136.0178213 89503 303351818 341817 a-Alanine, conf. II
202069.6759 0.2614 -3.2152 3 136.0181213 89503 303351817 341816 a-Alanine, conf. II
202080.1128 0.1559 -4.7848 3 47.4254135 89503 30322 914 21 715 a-Alanine, conf. II
202094.6113 0.2129 -4.3605 3 136.9427231 89503 30338 830 37 929 a-Alanine, conf. II
202094.6206 0.2129 -3.1043 3 136.9427231 89503 30338 930 37 929 a-Alanine, conf. II
202094.6371 0.2129 -3.1043 3 136.9427231 89503 30338 830 37 829 a-Alanine, conf. II
202094.6464 0.2129 -4.3605 3 136.9427231 89503 30338 930 37 829 a-Alanine, conf. II
202112.8279 0.1137 -5.0397 3 40.6836129 89503 30321 715 20 516 a-Alanine, conf. II
202139.5077 35.0090 -4.8799 3 367.1723405 89503 30367 364 67 365 a-Alanine, conf. II
202139.5077 35.0090 -4.8799 3 367.1723405 89503 30367 464 67 265 a-Alanine, conf. II
202146.1836 0.9016 -4.9325 3 143.6067225 89503 303371423 361522 a-Alanine, conf. II
202210.5762 13.0202 -5.3060 3 537.4538381 89503 303634815 634716 a-Alanine, conf. II
202210.5762 13.0202 -5.3060 3 537.4538381 89503 303634816 634717 a-Alanine, conf. II
202212.1899 5.6158 -5.1132 3 363.1304345 89503 303572829 572632 a-Alanine, conf. II
202231.9089 5.4642 -4.9698 3 750.6413531 89503 303881969 881970 a-Alanine, conf. II
202231.9089 5.4642 -4.9698 3 750.6413531 89503 303882069 881870 a-Alanine, conf. II
202270.2191 34.0465 -5.3143 3 450.4080435 89503 30372 765 72 666 a-Alanine, conf. II
202270.2191 34.0465 -4.7083 3 450.4080435 89503 30372 765 72 766 a-Alanine, conf. II
202270.2191 34.0465 -4.7083 3 450.4080435 89503 30372 865 72 666 a-Alanine, conf. II
202270.2191 34.0465 -5.3143 3 450.4080435 89503 30372 865 72 766 a-Alanine, conf. II
202333.0123 0.8632 -4.2927 3 65.4214129 89503 3032120 1 2019 2 a-Alanine, conf. II
202333.0123 0.8632 -4.2927 3 65.4214129 89503 3032120 2 2019 1 a-Alanine, conf. II
202335.4507 1.8357 -5.3222 3 237.5844285 89503 303472028 462125 a-Alanine, conf. II
202430.0960 13.1139 -5.3064 3 525.5859375 89503 303624814 624715 a-Alanine, conf. II
202430.0960 13.1139 -5.3064 3 525.5859375 89503 303624815 624716 a-Alanine, conf. II
202472.3885 2.2361 -5.1351 3 169.7137243 89503 303401624 391723 a-Alanine, conf. II
202591.5038 3.1508 -5.2017 3 237.3191273 89503 303452620 452421 a-Alanine, conf. II
202591.8562 3.1507 -5.2017 3 237.3191273 89503 303452619 452422 a-Alanine, conf. II
202638.7789 13.2096 -5.3092 3 513.9103369 89503 303614813 614714 a-Alanine, conf. II
202638.7789 13.2096 -5.3092 3 513.9103369 89503 303614814 614715 a-Alanine, conf. II
202641.3585 18.2213 -5.1802 3 465.5759393 89503 303653036 652837 a-Alanine, conf. II
202646.6002 1.1327 -4.4752 3 206.3983219 89503 3033635 1 3535 0 a-Alanine, conf. II
202646.6002 1.1327 -4.4752 3 206.3983219 89503 3033635 2 3535 1 a-Alanine, conf. II
202666.9147 6.4054 -5.0633 3 811.7573549 89503 303912170 912171 a-Alanine, conf. II
202666.9147 6.4054 -5.0633 3 811.7573549 89503 303912270 912071 a-Alanine, conf. II
202753.7093 1.0633 -4.1695 3 201.4414219 89503 3033634 2 3534 1 a-Alanine, conf. II
202753.7093 1.0633 -4.1695 3 201.4414219 89503 3033634 3 3534 2 a-Alanine, conf. II
202787.8867 1.9925 -3.0227 3 145.4127261 89503 30343 142 42 141 a-Alanine, conf. II
202787.8867 1.9925 -4.1328 3 145.4127261 89503 30343 142 42 241 a-Alanine, conf. II
202787.8867 1.9925 -4.1328 3 145.4127261 89503 30343 242 42 141 a-Alanine, conf. II
202787.8867 1.9925 -3.0227 3 145.4127261 89503 30343 242 42 241 a-Alanine, conf. II
202806.4972 31.6367 -5.3043 3 519.8928459 89503 303761066 76 967 a-Alanine, conf. II
202806.4972 31.6367 -4.7131 3 519.8928459 89503 303761066 761067 a-Alanine, conf. II
202806.4972 31.6367 -4.7131 3 519.8928459 89503 303761166 76 967 a-Alanine, conf. II
202806.4972 31.6367 -5.3043 3 519.8928459 89503 303761166 761067 a-Alanine, conf. II
202822.5409 17.9808 -4.8564 3 670.0495507 89503 303841668 841669 a-Alanine, conf. II
202822.5409 17.9808 -4.8564 3 670.0495507 89503 303841768 841569 a-Alanine, conf. II
202830.3880 35.5224 -5.0111 3 349.8781399 89503 30366 264 66 265 a-Alanine, conf. II
202830.3880 35.5224 -5.0111 3 349.8781399 89503 30366 364 66 165 a-Alanine, conf. II
202837.0260 13.3069 -5.3146 3 502.4267363 89503 303604812 604713 a-Alanine, conf. II
202837.0260 13.3069 -5.3146 3 502.4267363 89503 303604813 604714 a-Alanine, conf. II
202839.2776 0.2787 -4.4949 3 70.8023153 89503 303251511 241410 a-Alanine, conf. II
202843.2428 0.2787 -4.4949 3 70.8022153 89503 303251510 241411 a-Alanine, conf. II
202871.2094 0.9960 -3.9892 3 196.6318219 89503 3033633 3 3533 2 a-Alanine, conf. II
202871.2094 0.9960 -3.9892 3 196.6318219 89503 3033633 4 3533 3 a-Alanine, conf. II
202896.1028 20.0819 -5.1659 3 874.8940567 89503 303942371 942372 a-Alanine, conf. II
202896.1028 20.0819 -5.1659 3 874.8940567 89503 303942471 942272 a-Alanine, conf. II
202905.6268 37.4924 -5.2771 3 940.0369585 89503 303972572 972573 a-Alanine, conf. II
202905.6268 37.4924 -5.2771 3 940.0369585 89503 303972672 972473 a-Alanine, conf. II
202967.9768 2.6526 -5.3346 3 249.3400291 89503 303482128 472225 a-Alanine, conf. II
203000.4686 0.9309 -3.8603 3 191.9697219 89503 3033632 4 3532 3 a-Alanine, conf. II
203000.4686 0.9309 -3.8603 3 191.9697219 89503 3033632 5 3532 4 a-Alanine, conf. II
203001.2695 26.5119 -4.7682 3 593.1196483 89503 303801367 801368 a-Alanine, conf. II
203001.2695 26.5119 -4.7682 3 593.1196483 89503 303801467 801268 a-Alanine, conf. II
203008.6613 0.1225 -4.5378 3 130.9661219 89503 303361125 351224 a-Alanine, conf. II
203025.2248 13.4054 -5.3228 3 491.1349357 89503 303594811 594712 a-Alanine, conf. II
203025.2248 13.4054 -5.3228 3 491.1349357 89503 303594812 594713 a-Alanine, conf. II
203067.6190 0.2428 -3.1895 3 133.7270213 89503 303351719 341718 a-Alanine, conf. II
203086.5361 35.3178 -4.7273 3 431.9198429 89503 30371 665 71 666 a-Alanine, conf. II
203086.5361 35.3178 -4.7273 3 431.9198429 89503 30371 765 71 566 a-Alanine, conf. II
203104.8119 0.7128 -3.0572 3 143.9673249 89503 30341 437 40 436 a-Alanine, conf. II
203104.8119 0.7128 -4.2128 3 143.9673249 89503 30341 437 40 536 a-Alanine, conf. II
203104.8119 0.7128 -4.2128 3 143.9673249 89503 30341 537 40 436 a-Alanine, conf. II
203104.8119 0.7128 -3.0572 3 143.9673249 89503 30341 537 40 536 a-Alanine, conf. II
203141.9080 10.3520 -5.2418 3 535.3318423 89503 303703139 702942 a-Alanine, conf. II
203143.0997 0.8679 -3.7598 3 187.4557219 89503 3033631 5 3531 4 a-Alanine, conf. II
203143.0997 0.8679 -3.7598 3 187.4557219 89503 3033631 6 3531 5 a-Alanine, conf. II
203150.1825 0.1246 -3.1259 3 130.9661219 89503 303361225 351224 a-Alanine, conf. II
203203.7217 0.2562 -3.1889 3 133.7300213 89503 303351718 341717 a-Alanine, conf. II
203203.7507 13.5048 -5.3345 3 480.0347351 89503 303584810 584711 a-Alanine, conf. II
203203.7507 13.5048 -5.3345 3 480.0347351 89503 303584811 584712 a-Alanine, conf. II
203207.0483 9.8105 -5.1365 3 412.6954369 89503 303612933 612734 a-Alanine, conf. II
203236.3742 0.4082 -4.7797 3 134.7918219 89503 303361323 351422 a-Alanine, conf. II
203301.0177 0.8072 -3.6774 3 183.0903219 89503 3033630 6 3530 5 a-Alanine, conf. II
203301.0177 0.8072 -3.6774 3 183.0903219 89503 3033630 7 3530 6 a-Alanine, conf. II
203324.1264 0.1266 -3.1251 3 130.9555219 89503 303361125 351124 a-Alanine, conf. II
203446.9477 0.1564 -5.0052 3 69.3578159 89503 303261115 251016 a-Alanine, conf. II
203457.1128 0.2635 -4.3119 3 140.6901237 89503 30339 732 38 831 a-Alanine, conf. II
203457.1130 0.2635 -3.0888 3 140.6901237 89503 30339 832 38 831 a-Alanine, conf. II
203457.1132 0.2635 -3.0888 3 140.6901237 89503 30339 732 38 731 a-Alanine, conf. II
203457.1134 0.2635 -4.3119 3 140.6901237 89503 30339 832 38 731 a-Alanine, conf. II
203465.6475 0.1299 -4.5356 3 130.9555219 89503 303361225 351124 a-Alanine, conf. II
203476.5147 0.7487 -3.6076 3 178.8742219 89503 3033629 7 3529 6 a-Alanine, conf. II
203476.5147 0.7487 -3.6076 3 178.8742219 89503 3033629 8 3529 7 a-Alanine, conf. II
203493.5354 35.8865 -5.2678 3 332.8206393 89503 30365 164 65 165 a-Alanine, conf. II
203493.5354 35.8865 -5.2678 3 332.8206393 89503 30365 264 65 065 a-Alanine, conf. II
203512.4291 0.3649 -5.1727 3 37.5678111 89503 3031813 5 1711 6 a-Alanine, conf. II
203514.3221 0.3649 -5.1727 3 37.5677111 89503 3031813 6 1711 7 a-Alanine, conf. II
203516.9812 0.2142 -4.5625 3 73.7955159 89503 303261413 251312 a-Alanine, conf. II
203549.5177 10.7238 -4.9350 3 728.4409525 89503 303871869 871870 a-Alanine, conf. II
203549.5177 10.7238 -4.9350 3 728.4409525 89503 303871969 871770 a-Alanine, conf. II
203640.8988 0.7048 -4.3229 3 66.7248135 89503 3032219 3 2118 4 a-Alanine, conf. II
203640.8988 0.7048 -4.3229 3 66.7248135 89503 3032219 4 2118 3 a-Alanine, conf. II
203672.3601 0.6926 -3.5470 3 174.8080219 89503 3033628 8 3528 7 a-Alanine, conf. II
203672.3601 0.6926 -3.5470 3 174.8080219 89503 3033628 9 3528 8 a-Alanine, conf. II
203674.7510 0.2140 -4.5619 3 73.7914159 89503 303261412 251313 a-Alanine, conf. II
203728.9950 33.6589 -5.3049 3 500.4576453 89503 30375 966 75 867 a-Alanine, conf. II
203728.9950 33.6589 -4.7085 3 500.4576453 89503 30375 966 75 967 a-Alanine, conf. II
203728.9950 33.6589 -4.7085 3 500.4576453 89503 303751066 75 867 a-Alanine, conf. II
203728.9950 33.6589 -5.3049 3 500.4576453 89503 303751066 75 967 a-Alanine, conf. II
203791.5734 3.8135 -5.1278 3 296.5605309 89503 303512725 512526 a-Alanine, conf. II
203804.8825 3.8021 -5.1278 3 296.5601309 89503 303512724 512527 a-Alanine, conf. II
203815.8142 0.2471 -4.9268 3 43.2341123 89503 3032012 8 1910 9 a-Alanine, conf. II
203870.6139 36.3941 -4.7591 3 413.6637423 89503 30370 565 70 566 a-Alanine, conf. II
203870.6139 36.3941 -4.7591 3 413.6637423 89503 30370 665 70 466 a-Alanine, conf. II
203891.9352 0.6388 -3.4936 3 170.8927219 89503 3033627 9 3527 8 a-Alanine, conf. II
203891.9352 0.6388 -3.4936 3 170.8927219 89503 303362710 3527 9 a-Alanine, conf. II
203913.1710 3.1646 -5.2261 3 228.6872267 89503 303442619 442420 a-Alanine, conf. II
203913.2887 3.1645 -5.2260 3 228.6872267 89503 303442618 442421 a-Alanine, conf. II
203981.2780 0.0950 -3.1267 3 126.0782213 89503 303351223 341222 a-Alanine, conf. II
203993.1746 22.0582 -4.8288 3 648.7573501 89503 303831568 831569 a-Alanine, conf. II
203993.1746 22.0582 -4.8288 3 648.7573501 89503 303831668 831469 a-Alanine, conf. II
204010.7743 12.0177 -5.1546 3 296.6104321 89503 303531934 522131 a-Alanine, conf. II
204029.5302 0.1648 -4.4105 3 64.1289153 89503 303251114 24 915 a-Alanine, conf. II
204041.1641 29.4612 -5.3312 3 572.7495477 89503 303791267 791168 a-Alanine, conf. II
204041.1641 29.4612 -4.7500 3 572.7495477 89503 303791267 791268 a-Alanine, conf. II
204041.1641 29.4612 -4.7500 3 572.7495477 89503 303791367 791168 a-Alanine, conf. II
204041.1641 29.4612 -5.3312 3 572.7495477 89503 303791367 791268 a-Alanine, conf. II
204089.9037 2.4292 -5.0241 3 788.8737543 89503 303902070 902071 a-Alanine, conf. II
204089.9037 2.4292 -5.0241 3 788.8737543 89503 303902170 901971 a-Alanine, conf. II
204119.7781 0.2487 -4.9260 3 43.2238123 89503 3032012 9 191010 a-Alanine, conf. II
204139.4190 0.5875 -3.4459 3 167.1294219 89503 303362610 3526 9 a-Alanine, conf. II
204139.4190 0.5875 -3.4459 3 167.1294219 89503 303362611 352610 a-Alanine, conf. II
204154.1516 7.8460 -5.1328 3 412.6644369 89503 303612932 612735 a-Alanine, conf. II
204165.7345 0.1698 -4.4538 3 135.4489225 89503 303371027 361126 a-Alanine, conf. II
204171.4291 0.1700 -3.1143 3 135.4489225 89503 303371127 361126 a-Alanine, conf. II
204179.7131 0.1701 -3.1142 3 135.4484225 89503 303371027 361026 a-Alanine, conf. II
204185.4077 0.1702 -4.4537 3 135.4484225 89503 303371127 361026 a-Alanine, conf. II
204194.9843 0.2226 -3.1653 3 131.6357213 89503 303351620 341619 a-Alanine, conf. II
204200.5487 2.7759 -3.0057 3 147.7331267 89503 30344 044 43 043 a-Alanine, conf. II
204200.5487 2.7759 -4.1036 3 147.7331267 89503 30344 044 43 143 a-Alanine, conf. II
204200.5487 2.7759 -4.1036 3 147.7331267 89503 30344 144 43 043 a-Alanine, conf. II
204200.5487 2.7759 -3.0057 3 147.7331267 89503 30344 144 43 143 a-Alanine, conf. II
204289.3580 0.1192 -3.1357 3 127.9775213 89503 303351422 341421 a-Alanine, conf. II
204399.6387 0.2143 -4.7426 3 112.8270201 89503 303331321 321220 a-Alanine, conf. II
204420.0517 0.5388 -3.4029 3 163.5193219 89503 303362511 352510 a-Alanine, conf. II
204420.0517 0.5388 -3.4029 3 163.5193219 89503 303362512 352511 a-Alanine, conf. II
204432.8117 12.1160 -5.1228 3 851.3341561 89503 303932271 932272 a-Alanine, conf. II
204432.8117 12.1160 -5.1228 3 851.3341561 89503 303932371 932172 a-Alanine, conf. II
204478.0968 0.1904 -5.1931 3 63.1846153 89503 303251015 24 916 a-Alanine, conf. II
204532.2524 1.0847 -3.0406 3 146.8895255 89503 30342 339 41 338 a-Alanine, conf. II
204532.2524 1.0847 -4.1787 3 146.8895255 89503 30342 339 41 438 a-Alanine, conf. II
204532.2524 1.0847 -4.1787 3 146.8895255 89503 30342 439 41 338 a-Alanine, conf. II
204532.2524 1.0847 -3.0406 3 146.8895255 89503 30342 439 41 438 a-Alanine, conf. II
204565.7501 27.8661 -5.2304 3 915.8079579 89503 303962472 962473 a-Alanine, conf. II
204565.7501 27.8661 -5.2304 3 915.8079579 89503 303962572 962373 a-Alanine, conf. II
204615.3557 35.4429 -5.3115 3 481.2508447 89503 30374 866 74 767 a-Alanine, conf. II
204615.3557 35.4429 -4.7099 3 481.2508447 89503 30374 866 74 867 a-Alanine, conf. II
204615.3557 35.4429 -4.7099 3 481.2508447 89503 30374 966 74 767 a-Alanine, conf. II
204615.3557 35.4429 -5.3115 3 481.2508447 89503 30374 966 74 867 a-Alanine, conf. II
204623.7913 37.2856 -4.8094 3 395.6409417 89503 30369 465 69 466 a-Alanine, conf. II
204623.7913 37.2856 -4.8094 3 395.6409417 89503 30369 565 69 366 a-Alanine, conf. II
204682.3978 0.1946 -4.6969 3 119.3927207 89503 303341322 331221 a-Alanine, conf. II
204740.5169 0.4930 -3.3637 3 160.0641219 89503 303362412 352411 a-Alanine, conf. II
204740.5169 0.4930 -3.3637 3 160.0641219 89503 303362413 352412 a-Alanine, conf. II
204760.1020 5.3551 -5.1139 3 352.0559339 89503 303562829 562630 a-Alanine, conf. II
204813.9484 15.7206 -4.9023 3 706.4559519 89503 303861769 861770 a-Alanine, conf. II
204813.9484 15.7206 -4.9023 3 706.4559519 89503 303861869 861670 a-Alanine, conf. II
204855.9933 0.3620 -3.0730 3 144.2350243 89503 30340 634 39 633 a-Alanine, conf. II
204855.9933 0.3620 -4.2690 3 144.2350243 89503 30340 634 39 733 a-Alanine, conf. II
204855.9933 0.3620 -4.2690 3 144.2350243 89503 30340 734 39 633 a-Alanine, conf. II
204855.9933 0.3620 -3.0730 3 144.2350243 89503 30340 734 39 733 a-Alanine, conf. II
204888.8436 5.1776 -5.1134 3 352.0517339 89503 303562828 562631 a-Alanine, conf. II
204915.5839 0.1800 -3.1455 3 129.7395213 89503 303351521 341520 a-Alanine, conf. II
204928.1684 0.5671 -4.3560 3 68.3823141 89503 3032318 6 2217 5 a-Alanine, conf. II
204928.1685 0.5671 -4.3560 3 68.3823141 89503 3032318 5 2217 6 a-Alanine, conf. II
204976.1359 0.1744 -4.7011 3 82.6415171 89503 303281316 271215 a-Alanine, conf. II
205040.3092 32.1222 -5.3222 3 552.6037471 89503 303781167 781068 a-Alanine, conf. II
205040.3092 32.1222 -4.7355 3 552.6037471 89503 303781167 781168 a-Alanine, conf. II
205040.3092 32.1222 -4.7355 3 552.6037471 89503 303781267 781068 a-Alanine, conf. II
205040.3092 32.1222 -5.3222 3 552.6037471 89503 303781267 781168 a-Alanine, conf. II
205092.9530 0.1870 -4.7283 3 49.9172135 89503 303221112 21 913 a-Alanine, conf. II
205103.4320 0.2913 -3.1613 3 131.6605213 89503 303351619 341618 a-Alanine, conf. II
205109.1186 0.2196 -4.7743 3 106.3970195 89503 303321320 311219 a-Alanine, conf. II
205109.5185 0.4502 -3.3278 3 156.7659219 89503 303362314 352313 a-Alanine, conf. II
205109.5186 0.4502 -3.3278 3 156.7659219 89503 303362313 352312 a-Alanine, conf. II
205117.4932 25.7920 -4.8040 3 627.6852495 89503 303821468 821469 a-Alanine, conf. II
205117.4932 25.7920 -4.8040 3 627.6852495 89503 303821568 821369 a-Alanine, conf. II
205124.5901 3.1909 -5.2535 3 220.2593261 89503 303432618 432419 a-Alanine, conf. II
205124.6278 3.1908 -5.2535 3 220.2593261 89503 303432617 432420 a-Alanine, conf. II
205155.1147 4.1930 -5.2667 3 217.3488273 89503 303451926 442025 a-Alanine, conf. II
205176.3040 0.1665 -4.6649 3 77.2244165 89503 303271314 261215 a-Alanine, conf. II
205283.8669 0.2807 -3.1245 3 121.6936207 89503 303341420 331419 a-Alanine, conf. II
205347.3250 38.0022 -4.8883 3 377.8525411 89503 30368 365 68 366 a-Alanine, conf. II
205347.3250 38.0022 -4.8883 3 377.8525411 89503 30368 465 68 266 a-Alanine, conf. II
205367.8160 0.2108 -4.3897 3 139.6798231 89503 30338 929 371028 a-Alanine, conf. II
205367.9767 0.2108 -3.1010 3 139.6798231 89503 303381029 371028 a-Alanine, conf. II
205368.2405 0.2108 -3.1010 3 139.6798231 89503 30338 929 37 928 a-Alanine, conf. II
205368.4012 0.2108 -4.3897 3 139.6798231 89503 303381029 37 928 a-Alanine, conf. II
205405.3854 10.7017 -5.1696 3 465.4859393 89503 303653035 652838 a-Alanine, conf. II
205454.7559 7.2923 -4.9870 3 766.2022537 89503 303891970 891971 a-Alanine, conf. II
205454.7559 7.2923 -4.9870 3 766.2022537 89503 303892070 891871 a-Alanine, conf. II
205467.1598 37.0009 -5.3254 3 462.2735441 89503 30373 766 73 667 a-Alanine, conf. II
205467.1598 37.0009 -4.7188 3 462.2735441 89503 30373 766 73 767 a-Alanine, conf. II
205467.1598 37.0009 -4.7188 3 462.2735441 89503 30373 866 73 667 a-Alanine, conf. II
205467.1598 37.0009 -5.3254 3 462.2735441 89503 30373 866 73 767 a-Alanine, conf. II
205523.3126 0.1273 -4.6170 3 132.9569219 89503 303361224 351323 a-Alanine, conf. II
205538.6888 0.4110 -3.2947 3 153.6273219 89503 303362215 352214 a-Alanine, conf. II
205538.6902 0.4110 -3.2947 3 153.6273219 89503 303362214 352213 a-Alanine, conf. II
205574.7239 0.1557 -4.8957 3 45.9832135 89503 30322 715 21 516 a-Alanine, conf. II
205608.4735 5.4691 -5.3168 3 595.4981447 89503 303743242 743045 a-Alanine, conf. II
205655.3605 0.1440 -3.1114 3 120.5710207 89503 303341321 331320 a-Alanine, conf. II
205690.6051 3.6984 -5.1391 3 286.7167303 89503 303502724 502525 a-Alanine, conf. II
205695.7685 3.6943 -5.1391 3 286.7165303 89503 303502723 502526 a-Alanine, conf. II
205746.1089 0.1427 -4.8260 3 75.7785165 89503 303271215 261116 a-Alanine, conf. II
205905.6474 5.0033 -5.0816 3 827.9828555 89503 303922171 922172 a-Alanine, conf. II
205905.6474 5.0033 -5.0816 3 827.9828555 89503 303922271 922072 a-Alanine, conf. II
205956.6287 1.5962 -3.0239 3 149.6256261 89503 30343 241 42 240 a-Alanine, conf. II
205956.6287 1.5962 -4.1469 3 149.6256261 89503 30343 241 42 340 a-Alanine, conf. II
205956.6287 1.5962 -4.1469 3 149.6256261 89503 30343 341 42 240 a-Alanine, conf. II
205956.6287 1.5962 -3.0239 3 149.6256261 89503 30343 341 42 340 a-Alanine, conf. II
205960.4325 26.3399 -5.2199 3 508.1865411 89503 303683138 682939 a-Alanine, conf. II
206000.6027 34.5089 -5.3174 3 532.6836465 89503 303771067 77 968 a-Alanine, conf. II
206000.6027 34.5089 -4.7254 3 532.6836465 89503 303771067 771068 a-Alanine, conf. II
206000.6027 34.5089 -4.7254 3 532.6836465 89503 303771167 77 968 a-Alanine, conf. II
206000.6027 34.5089 -5.3174 3 532.6836465 89503 303771167 771068 a-Alanine, conf. II
206028.1017 20.3510 -4.8720 3 684.6878513 89503 303851669 851670 a-Alanine, conf. II
206028.1017 20.3510 -4.8720 3 684.6878513 89503 303851769 851570 a-Alanine, conf. II
206042.3971 38.5532 -5.0190 3 360.2995405 89503 30367 265 67 266 a-Alanine, conf. II
206042.3971 38.5532 -5.0190 3 360.2995405 89503 30367 365 67 166 a-Alanine, conf. II
206044.0878 0.3758 -3.2640 3 150.6516219 89503 303362116 352115 a-Alanine, conf. II
206044.1106 0.3758 -3.2640 3 150.6516219 89503 303362115 352114 a-Alanine, conf. II
206155.2933 18.9293 -5.1853 3 891.7838573 89503 303952372 952373 a-Alanine, conf. II
206155.2933 18.9293 -5.1853 3 891.7838573 89503 303952472 952273 a-Alanine, conf. II
206171.1928 0.4494 -4.3934 3 70.4025147 89503 3032417 8 2316 7 a-Alanine, conf. II
206171.1948 0.4494 -4.3934 3 70.4025147 89503 3032417 7 2316 8 a-Alanine, conf. II
206190.6439 36.8299 -5.2976 3 957.5908591 89503 303982573 982574 a-Alanine, conf. II
206190.6439 36.8299 -5.2976 3 957.5908591 89503 303982673 982474 a-Alanine, conf. II
206197.8185 29.1962 -4.7821 3 606.8346489 89503 303811368 811369 a-Alanine, conf. II
206197.8185 29.1962 -4.7821 3 606.8346489 89503 303811468 811269 a-Alanine, conf. II
206200.2816 0.2135 -4.7832 3 100.1321189 89503 303311319 301218 a-Alanine, conf. II
206217.9777 0.1698 -4.6473 3 126.0782213 89503 303351323 341222 a-Alanine, conf. II
206235.5612 3.2270 -5.2842 3 212.0343255 89503 303422617 422418 a-Alanine, conf. II
206235.5728 3.2270 -5.2842 3 212.0343255 89503 303422616 422419 a-Alanine, conf. II
206273.1230 0.5443 -3.0570 3 147.5842249 89503 30341 536 40 535 a-Alanine, conf. II
206273.1230 0.5443 -4.2302 3 147.5842249 89503 30341 536 40 635 a-Alanine, conf. II
206273.1230 0.5443 -4.2302 3 147.5842249 89503 30341 636 40 535 a-Alanine, conf. II
206273.1230 0.5443 -3.0570 3 147.5842249 89503 30341 636 40 635 a-Alanine, conf. II
206285.8818 38.3442 -4.7374 3 443.5271435 89503 30372 666 72 667 a-Alanine, conf. II
206285.8818 38.3442 -4.7374 3 443.5271435 89503 30372 766 72 567 a-Alanine, conf. II
206322.8887 12.7981 -5.2224 3 521.5902417 89503 303693138 692941 a-Alanine, conf. II
206379.3960 4.3616 -5.3168 3 249.3323291 89503 303482127 472226 a-Alanine, conf. II
206395.8639 7.2049 -5.0701 3 288.1222315 89503 303522032 512229 a-Alanine, conf. II
206636.7051 0.1108 -3.1183 3 132.9569219 89503 303361324 351323 a-Alanine, conf. II
206643.9399 1.0231 -4.2536 3 68.2225129 89503 3032121 0 2020 1 a-Alanine, conf. II
206643.9399 1.0231 -4.2536 3 68.2225129 89503 3032121 1 2020 0 a-Alanine, conf. II
206648.7767 0.3456 -3.2352 3 147.8435219 89503 303362017 352016 a-Alanine, conf. II
206649.1076 0.3457 -3.2352 3 147.8435219 89503 303362016 352015 a-Alanine, conf. II
206654.8493 0.1866 -4.7361 3 88.2294177 89503 303291317 281216 a-Alanine, conf. II
206677.6199 0.2510 -4.3364 3 143.6838237 89503 30339 831 38 930 a-Alanine, conf. II
206677.6232 0.2510 -3.0867 3 143.6838237 89503 30339 931 38 930 a-Alanine, conf. II
206677.6292 0.2510 -3.0867 3 143.6838237 89503 30339 831 38 830 a-Alanine, conf. II
206677.6325 0.2510 -4.3364 3 143.6838237 89503 30339 931 38 830 a-Alanine, conf. II
206710.1220 38.9479 -5.2752 3 342.9830399 89503 30366 165 66 166 a-Alanine, conf. II
206710.1220 38.9479 -5.2752 3 342.9830399 89503 30366 265 66 066 a-Alanine, conf. II
206764.8197 12.8525 -4.9518 3 743.7444531 89503 303881870 881871 a-Alanine, conf. II
206764.8197 12.8525 -4.9518 3 743.7444531 89503 303881970 881771 a-Alanine, conf. II
206806.7797 8.0365 -5.1287 3 400.7840363 89503 303602932 602733 a-Alanine, conf. II
206883.6211 1.7916 -4.9857 3 275.8715309 89503 303511932 502129 a-Alanine, conf. II
206923.8029 36.6346 -5.3175 3 512.9906459 89503 30376 967 76 868 a-Alanine, conf. II
206923.8029 36.6346 -4.7203 3 512.9906459 89503 30376 967 76 968 a-Alanine, conf. II
206923.8029 36.6346 -4.7203 3 512.9906459 89503 303761067 76 868 a-Alanine, conf. II
206923.8029 36.6346 -5.3175 3 512.9906459 89503 303761067 76 968 a-Alanine, conf. II
206935.0945 0.2013 -4.7678 3 94.0661183 89503 303301318 291217 a-Alanine, conf. II
207072.9005 39.4839 -4.7688 3 425.0126429 89503 30371 566 71 567 a-Alanine, conf. II
207072.9005 39.4839 -4.7688 3 425.0126429 89503 30371 666 71 467 a-Alanine, conf. II
207194.6206 24.6120 -4.8441 3 663.1382507 89503 303841569 841570 a-Alanine, conf. II
207194.6206 24.6120 -4.8441 3 663.1382507 89503 303841669 841470 a-Alanine, conf. II
207232.6379 0.1755 -4.4878 3 63.0927153 89503 303251015 24 816 a-Alanine, conf. II
207236.2847 32.2857 -4.7636 3 586.2069483 89503 303801268 801269 a-Alanine, conf. II
207236.2847 32.2857 -4.7636 3 586.2069483 89503 303801368 801169 a-Alanine, conf. II
207236.4939 0.1441 -4.8920 3 45.9845135 89503 30322 815 21 616 a-Alanine, conf. II
207252.6019 7.1597 -5.1269 3 400.7694363 89503 303602931 602734 a-Alanine, conf. II
207254.6353 3.2709 -5.3184 3 204.0112249 89503 303412616 412417 a-Alanine, conf. II
207254.6387 3.2709 -5.3184 3 204.0112249 89503 303412615 412418 a-Alanine, conf. II
207290.1603 4.8956 -5.1161 3 341.1907333 89503 303552828 552629 a-Alanine, conf. II
207318.5109 3.5306 -5.0422 3 804.8419549 89503 303912071 912072 a-Alanine, conf. II
207318.5109 3.5306 -5.0422 3 804.8419549 89503 303912171 911972 a-Alanine, conf. II
207325.3308 0.3510 -4.4373 3 72.7986153 89503 303251610 2415 9 a-Alanine, conf. II
207325.5536 0.3510 -4.4373 3 72.7986153 89503 3032516 9 241510 a-Alanine, conf. II
207345.2698 4.8253 -5.1158 3 341.1888333 89503 303552827 552630 a-Alanine, conf. II
207374.7023 2.2719 -3.0074 3 152.1770267 89503 30344 143 43 142 a-Alanine, conf. II
207374.7023 2.2719 -4.1170 3 152.1770267 89503 30344 143 43 242 a-Alanine, conf. II
207374.7023 2.2719 -4.1170 3 152.1770267 89503 30344 243 43 142 a-Alanine, conf. II
207374.7023 2.2719 -3.0074 3 152.1770267 89503 30344 243 43 242 a-Alanine, conf. II
207386.8085 0.3216 -3.2081 3 145.2092219 89503 303361918 351917 a-Alanine, conf. II
207390.8199 0.3223 -3.2081 3 145.2092219 89503 303361917 351916 a-Alanine, conf. II
207425.2199 3.6272 -5.1529 3 277.0822297 89503 303492723 492524 a-Alanine, conf. II
207427.1539 3.6258 -5.1529 3 277.0822297 89503 303492722 492525 a-Alanine, conf. II
207433.2649 0.1989 -4.6408 3 57.2097147 89503 30324 915 23 716 a-Alanine, conf. II
207455.7884 13.7323 -5.1634 3 452.8178387 89503 303643035 642836 a-Alanine, conf. II
207566.7634 0.1885 -4.7706 3 51.4971141 89503 30323 815 22 616 a-Alanine, conf. II
207594.0311 0.1555 -4.4999 3 137.7424225 89503 303371126 361225 a-Alanine, conf. II
207655.8300 0.1568 -3.1082 3 137.7424225 89503 303371226 361225 a-Alanine, conf. II
207673.9602 10.2937 -5.2909 3 580.9616441 89503 303733241 733044 a-Alanine, conf. II
207678.8479 10.6946 -5.1420 3 867.9666567 89503 303942272 942273 a-Alanine, conf. II
207678.8479 10.6946 -5.1420 3 867.9666567 89503 303942372 942173 a-Alanine, conf. II
207697.7748 0.8357 -3.0410 3 150.7421255 89503 30342 438 41 437 a-Alanine, conf. II
207697.7748 0.8357 -4.1947 3 150.7421255 89503 30342 438 41 537 a-Alanine, conf. II
207697.7748 0.8357 -4.1947 3 150.7421255 89503 30342 538 41 437 a-Alanine, conf. II
207697.7748 0.8357 -3.0410 3 150.7421255 89503 30342 538 41 537 a-Alanine, conf. II
207735.5522 0.1581 -3.1078 3 137.7377225 89503 303371126 361125 a-Alanine, conf. II
207760.0123 0.1186 -3.1128 3 132.8822219 89503 303361224 351223 a-Alanine, conf. II
207781.1068 0.0851 -5.2012 3 39.0524129 89503 30321 516 20 317 a-Alanine, conf. II
207797.3512 0.1597 -4.4989 3 137.7377225 89503 303371226 361125 a-Alanine, conf. II
207811.5431 38.5122 -4.7214 3 493.5258453 89503 30375 867 75 868 a-Alanine, conf. II
207811.5431 38.5122 -4.7214 3 493.5258453 89503 30375 967 75 768 a-Alanine, conf. II
207818.9591 6.6124 -5.0352 3 286.1095315 89503 303521933 512130 a-Alanine, conf. II
207820.3410 0.0846 -5.2011 3 39.0524129 89503 30321 616 20 417 a-Alanine, conf. II
207829.5085 40.4305 -4.8186 3 406.7313423 89503 30370 466 70 467 a-Alanine, conf. II
207829.5085 40.4305 -4.8186 3 406.7313423 89503 30370 566 70 367 a-Alanine, conf. II
207834.0267 26.8644 -5.2507 3 933.1043585 89503 303972473 972474 a-Alanine, conf. II
207834.0267 26.8644 -5.2507 3 933.1043585 89503 303972573 972374 a-Alanine, conf. II
207956.7389 0.8449 -4.2820 3 69.3733135 89503 3032220 2 2119 3 a-Alanine, conf. II
207956.7389 0.8449 -4.2820 3 69.3733135 89503 3032220 3 2119 2 a-Alanine, conf. II
208023.1279 18.0768 -4.9188 3 721.5020525 89503 303871770 871771 a-Alanine, conf. II
208023.1279 18.0768 -4.9188 3 721.5020525 89503 303871870 871671 a-Alanine, conf. II
208047.3994 0.3112 -4.2902 3 147.4767243 89503 30340 733 39 832 a-Alanine, conf. II
208047.3995 0.3112 -3.0718 3 147.4767243 89503 30340 833 39 832 a-Alanine, conf. II
208047.3996 0.3112 -3.0718 3 147.4767243 89503 30340 733 39 732 a-Alanine, conf. II
208047.3996 0.3112 -4.2902 3 147.4767243 89503 30340 833 39 732 a-Alanine, conf. II
208109.5854 0.2381 -4.8469 3 47.1100129 89503 3032112 9 201010 a-Alanine, conf. II
208130.7511 3.1894 -5.1604 3 187.6247255 89503 303421725 411824 a-Alanine, conf. II
208234.8602 35.0755 -4.7487 3 565.8035477 89503 303791168 791169 a-Alanine, conf. II
208234.8602 35.0755 -4.7487 3 565.8035477 89503 303791268 791069 a-Alanine, conf. II
208257.7821 1.2467 -4.4762 3 218.2584225 89503 3033736 1 3636 0 a-Alanine, conf. II
208257.7821 1.2467 -4.4762 3 218.2584225 89503 3033736 2 3636 1 a-Alanine, conf. II
208293.2235 0.2712 -4.4919 3 75.5914159 89503 303261512 251411 a-Alanine, conf. II
208303.7677 0.3047 -3.1822 3 142.7576219 89503 303361819 351818 a-Alanine, conf. II
208306.3049 0.2711 -4.4918 3 75.5911159 89503 303261511 251412 a-Alanine, conf. II
208315.9224 28.5155 -4.8189 3 641.8087501 89503 303831469 831470 a-Alanine, conf. II
208315.9224 28.5155 -4.8189 3 641.8087501 89503 303831569 831370 a-Alanine, conf. II
208343.5828 0.3101 -3.1821 3 142.7584219 89503 303361818 351817 a-Alanine, conf. II
208364.2767 1.1736 -4.1701 3 213.1579225 89503 3033735 2 3635 1 a-Alanine, conf. II
208364.2767 1.1736 -4.1701 3 213.1579225 89503 3033735 3 3635 2 a-Alanine, conf. II
208480.8115 1.1028 -3.9893 3 208.2046225 89503 3033734 3 3634 2 a-Alanine, conf. II
208480.8115 1.1028 -3.9893 3 208.2046225 89503 3033734 4 3634 3 a-Alanine, conf. II
208556.9202 41.1942 -4.8971 3 388.6842417 89503 30369 366 69 367 a-Alanine, conf. II
208556.9202 41.1942 -4.8971 3 388.6842417 89503 30369 466 69 267 a-Alanine, conf. II
208608.6662 1.0342 -3.8600 3 203.3988225 89503 3033733 4 3633 3 a-Alanine, conf. II
208608.6662 1.0342 -3.8600 3 203.3988225 89503 3033733 5 3633 4 a-Alanine, conf. II
208659.7363 0.2099 -4.5674 3 78.8231165 89503 303271414 261313 a-Alanine, conf. II
208665.3451 40.1542 -4.7299 3 474.2904447 89503 30374 767 74 768 a-Alanine, conf. II
208665.3451 40.1542 -4.7299 3 474.2904447 89503 30374 867 74 668 a-Alanine, conf. II
208673.8049 0.3523 -5.0708 3 41.0005117 89503 3031913 6 1811 7 a-Alanine, conf. II
208674.9129 9.3358 -5.0047 3 781.9131543 89503 303901971 901972 a-Alanine, conf. II
208674.9129 9.3358 -5.0047 3 781.9131543 89503 303902071 901872 a-Alanine, conf. II
208681.1463 0.3523 -5.0707 3 41.0003117 89503 3031913 7 1811 8 a-Alanine, conf. II
208710.3069 0.2055 -4.4240 3 142.2593231 89503 303381028 371127 a-Alanine, conf. II
208712.5852 0.2056 -3.0968 3 142.2593231 89503 303381128 371127 a-Alanine, conf. II
208716.0015 0.2056 -3.0968 3 142.2591231 89503 303381028 371027 a-Alanine, conf. II
208718.2799 0.2057 -4.4240 3 142.2591231 89503 303381128 371027 a-Alanine, conf. II
208749.3419 0.9680 -3.7590 3 198.7411225 89503 3033732 5 3632 4 a-Alanine, conf. II
208749.3419 0.9680 -3.7590 3 198.7411225 89503 3033732 6 3632 5 a-Alanine, conf. II
208784.1972 3.1397 -2.9909 3 154.5445273 89503 30345 045 44 044 a-Alanine, conf. II
208784.1972 3.1397 -4.0888 3 154.5445273 89503 30345 045 44 144 a-Alanine, conf. II
208784.1972 3.1397 -4.0888 3 154.5445273 89503 30345 145 44 044 a-Alanine, conf. II
208784.1972 3.1397 -2.9909 3 154.5445273 89503 30345 145 44 144 a-Alanine, conf. II
208800.8377 0.3733 -3.1262 3 129.8898213 89503 303351520 341519 a-Alanine, conf. II
208841.2589 10.0619 -5.1580 3 452.7725387 89503 303643034 642837 a-Alanine, conf. II
208855.1677 37.9591 -5.2675 3 552.6727429 89503 303713240 713041 a-Alanine, conf. II
208873.4048 0.1572 -4.6000 3 132.8822219 89503 303361324 351223 a-Alanine, conf. II
208898.3650 0.2420 -4.8450 3 47.0831129 89503 303211210 201011 a-Alanine, conf. II
208904.6106 0.9040 -3.6761 3 194.2318225 89503 3033731 6 3631 5 a-Alanine, conf. II
208904.6106 0.9040 -3.6761 3 194.2318225 89503 3033731 7 3631 6 a-Alanine, conf. II
209014.0518 3.5886 -5.1692 3 267.6556291 89503 303482722 482523 a-Alanine, conf. II
209014.7507 3.5881 -5.1692 3 267.6556291 89503 303482721 482524 a-Alanine, conf. II
209076.5811 0.8425 -3.6058 3 189.8717225 89503 3033730 7 3630 6 a-Alanine, conf. II
209076.5811 0.8425 -3.6058 3 189.8717225 89503 3033730 8 3630 7 a-Alanine, conf. II
209081.8195 0.2091 -4.5661 3 78.8121165 89503 303271413 261314 a-Alanine, conf. II
209123.2151 1.2568 -3.0250 3 153.7120261 89503 30343 340 42 339 a-Alanine, conf. II
209123.2151 1.2568 -4.1619 3 153.7120261 89503 30343 340 42 439 a-Alanine, conf. II
209123.2151 1.2568 -4.1619 3 153.7120261 89503 30343 440 42 339 a-Alanine, conf. II
209123.2151 1.2568 -3.0250 3 153.7120261 89503 30343 440 42 439 a-Alanine, conf. II
209140.5163 3.6294 -5.1005 3 844.3579561 89503 303932172 932173 a-Alanine, conf. II
209140.5163 3.6294 -5.1005 3 844.3579561 89503 303932272 932073 a-Alanine, conf. II
209150.7972 0.1754 -4.6882 3 52.8972141 89503 303231014 22 815 a-Alanine, conf. II
209195.3659 37.5799 -4.7382 3 545.6257471 89503 303781068 781069 a-Alanine, conf. II
209195.3659 37.5799 -4.7382 3 545.6257471 89503 303781168 78 969 a-Alanine, conf. II
209232.4393 22.9120 -4.8881 3 699.4766519 89503 303861670 861671 a-Alanine, conf. II
209232.4393 22.9120 -4.8881 3 699.4766519 89503 303861770 861571 a-Alanine, conf. II
209256.2792 41.7846 -5.0274 3 370.8724411 89503 30368 266 68 267 a-Alanine, conf. II
209256.2792 41.7846 -5.0274 3 370.8724411 89503 30368 366 68 167 a-Alanine, conf. II
209257.0399 0.6884 -4.3128 3 70.8746141 89503 3032319 4 2218 5 a-Alanine, conf. II
209257.0399 0.6884 -4.3128 3 70.8746141 89503 3032319 5 2218 4 a-Alanine, conf. II
209267.7838 0.7833 -3.5448 3 185.6614225 89503 3033729 8 3629 7 a-Alanine, conf. II
209267.7838 0.7833 -3.5448 3 185.6614225 89503 3033729 9 3629 8 a-Alanine, conf. II
209394.2257 32.0766 -4.7966 3 620.7006495 89503 303821369 821370 a-Alanine, conf. II
209394.2257 32.0766 -4.7966 3 620.7006495 89503 303821469 821270 a-Alanine, conf. II
209409.2063 17.6129 -5.2054 3 908.8228579 89503 303962373 962374 a-Alanine, conf. II
209409.2063 17.6129 -5.2054 3 908.8228579 89503 303962473 962274 a-Alanine, conf. II
209415.1908 0.2908 -3.1575 3 140.5006219 89503 303361720 351719 a-Alanine, conf. II
209448.9229 0.4292 -3.0566 3 151.0683249 89503 30341 635 40 634 a-Alanine, conf. II
209448.9229 0.4292 -4.2491 3 151.0683249 89503 30341 635 40 734 a-Alanine, conf. II
209448.9229 0.4292 -4.2491 3 151.0683249 89503 30341 735 40 634 a-Alanine, conf. II
209448.9229 0.4292 -3.0566 3 151.0683249 89503 30341 735 40 734 a-Alanine, conf. II
209481.2849 0.7267 -3.4910 3 181.6018225 89503 3033728 9 3628 8 a-Alanine, conf. II
209481.2849 0.7267 -3.4910 3 181.6018225 89503 303372810 3628 9 a-Alanine, conf. II
209486.6298 41.5723 -4.7480 3 455.2858441 89503 30373 667 73 668 a-Alanine, conf. II
209486.6298 41.5723 -4.7480 3 455.2858441 89503 30373 767 73 568 a-Alanine, conf. II
209488.0632 0.1283 -3.1137 3 134.7918219 89503 303361423 351422 a-Alanine, conf. II
209572.4368 4.5830 -5.1207 3 330.5409327 89503 303542827 542628 a-Alanine, conf. II
209595.2514 4.5561 -5.1206 3 330.5401327 89503 303542826 542629 a-Alanine, conf. II
209720.8417 0.6728 -3.4428 3 177.6938225 89503 303372710 3627 9 a-Alanine, conf. II
209720.8417 0.6728 -3.4428 3 177.6938225 89503 303372711 362710 a-Alanine, conf. II
209727.7917 0.3245 -3.1562 3 140.5082219 89503 303361719 351718 a-Alanine, conf. II
209777.0646 1.5362 -4.9676 3 160.1268237 89503 303391524 381623 a-Alanine, conf. II
209825.3051 13.3566 -5.2055 3 508.0610411 89503 303683137 682940 a-Alanine, conf. II
209928.6645 42.2112 -5.2832 3 353.2970405 89503 30367 166 67 167 a-Alanine, conf. II
209928.6645 42.2112 -5.2832 3 353.2970405 89503 30367 266 67 067 a-Alanine, conf. II
209929.1084 6.8955 -5.1242 3 389.0997357 89503 303592931 592732 a-Alanine, conf. II
209938.1953 0.2491 -4.3642 3 146.5302237 89503 30339 930 381029 a-Alanine, conf. II
209938.2554 0.2491 -3.0839 3 146.5302237 89503 303391030 381029 a-Alanine, conf. II
209938.3561 0.2491 -3.0839 3 146.5302237 89503 30339 930 38 929 a-Alanine, conf. II
209938.4161 0.2491 -4.3642 3 146.5302237 89503 303391030 38 929 a-Alanine, conf. II
209978.0274 15.1740 -4.9692 3 759.1981537 89503 303891871 891872 a-Alanine, conf. II
209978.0274 15.1740 -4.9692 3 759.1981537 89503 303891971 891772 a-Alanine, conf. II
209991.1186 0.6216 -3.3993 3 173.9387225 89503 303372611 362610 a-Alanine, conf. II
209991.1186 0.6216 -3.3993 3 173.9387225 89503 303372612 362611 a-Alanine, conf. II
210099.4932 0.1169 -3.0977 3 127.4309213 89503 303351322 341321 a-Alanine, conf. II
210119.4909 39.8127 -4.7328 3 525.6748465 89503 30377 968 77 969 a-Alanine, conf. II
210119.4909 39.8127 -4.7328 3 525.6748465 89503 303771068 77 869 a-Alanine, conf. II
210131.7796 6.5211 -5.1234 3 389.0931357 89503 303592930 592733 a-Alanine, conf. II
210276.7280 42.7779 -4.7791 3 436.5130435 89503 30372 567 72 568 a-Alanine, conf. II
210276.7280 42.7779 -4.7791 3 436.5130435 89503 30372 667 72 468 a-Alanine, conf. II
210297.9963 0.5733 -3.3597 3 170.3380225 89503 303372512 362511 a-Alanine, conf. II
210297.9963 0.5733 -3.3597 3 170.3380225 89503 303372513 362512 a-Alanine, conf. II
210395.2725 27.3619 -4.8599 3 677.6698513 89503 303851570 851571 a-Alanine, conf. II
210395.2725 27.3619 -4.8599 3 677.6698513 89503 303851670 851471 a-Alanine, conf. II
210431.5735 35.3109 -4.7777 3 599.8154489 89503 303811269 811270 a-Alanine, conf. II
210431.5735 35.3109 -4.7777 3 599.8154489 89503 303811369 811170 a-Alanine, conf. II
210472.1287 3.5748 -5.1880 3 258.4354285 89503 303472721 472522 a-Alanine, conf. II
210472.3722 3.5746 -5.1880 3 258.4354285 89503 303472720 472523 a-Alanine, conf. II
210502.5833 0.2617 -3.1349 3 138.4469219 89503 303361621 351620 a-Alanine, conf. II
210528.6624 0.5527 -4.3469 3 72.7332147 89503 3032418 7 2317 6 a-Alanine, conf. II
210528.6625 0.5527 -4.3469 3 72.7332147 89503 3032418 6 2317 7 a-Alanine, conf. II
210543.9831 5.2538 -5.0608 3 820.9598555 89503 303922072 922073 a-Alanine, conf. II
210543.9831 5.2538 -5.0608 3 820.9598555 89503 303922172 921973 a-Alanine, conf. II
210545.0111 1.8300 -3.0089 3 156.4956267 89503 30344 242 43 241 a-Alanine, conf. II
210545.0111 1.8300 -4.1312 3 156.4956267 89503 30344 242 43 341 a-Alanine, conf. II
210545.0111 1.8300 -4.1312 3 156.4956267 89503 30344 342 43 241 a-Alanine, conf. II
210545.0111 1.8300 -3.0089 3 156.4956267 89503 30344 342 43 341 a-Alanine, conf. II
210640.6089 11.9517 -5.1329 3 311.2379327 89503 303542133 532330 a-Alanine, conf. II
210649.0274 0.5284 -3.3234 3 166.8936225 89503 303372414 362413 a-Alanine, conf. II
210649.0275 0.5284 -3.3234 3 166.8936225 89503 303372413 362412 a-Alanine, conf. II
210673.5797 14.7182 -5.2684 3 566.6265435 89503 303723240 723043 a-Alanine, conf. II
210677.8411 0.1393 -4.5647 3 139.8495225 89503 303371225 361324 a-Alanine, conf. II
210812.7908 0.1977 -3.1187 3 136.5747219 89503 303361522 351521 a-Alanine, conf. II
210866.2057 0.6420 -3.0412 3 154.4647255 89503 30342 537 41 536 a-Alanine, conf. II
210866.2057 0.6420 -4.2120 3 154.4647255 89503 30342 537 41 636 a-Alanine, conf. II
210866.2057 0.6420 -4.2120 3 154.4647255 89503 30342 637 41 536 a-Alanine, conf. II
210866.2057 0.6420 -3.0412 3 154.4647255 89503 30342 637 41 636 a-Alanine, conf. II
210912.6681 0.1638 -4.3675 3 69.1088159 89503 303261115 25 916 a-Alanine, conf. II
210920.5014 9.1219 -5.1618 3 884.7483573 89503 303952273 952274 a-Alanine, conf. II
210920.5014 9.1219 -5.1618 3 884.7483573 89503 303952373 952174 a-Alanine, conf. II
211008.5564 0.3117 -4.6836 3 141.7796225 89503 303371324 361423 a-Alanine, conf. II
211008.8069 41.7873 -4.7334 3 505.9521459 89503 30376 868 76 869 a-Alanine, conf. II
211008.8069 41.7873 -4.7334 3 505.9521459 89503 30376 968 76 769 a-Alanine, conf. II
211017.2894 5.0618 -5.2708 3 237.5600285 89503 303472027 462126 a-Alanine, conf. II
211036.8880 43.7818 -4.8285 3 417.9732429 89503 30371 467 71 468 a-Alanine, conf. II
211036.8880 43.7818 -4.8285 3 417.9732429 89503 30371 567 71 368 a-Alanine, conf. II
211054.1345 0.4870 -3.2899 3 163.6077225 89503 303372315 362314 a-Alanine, conf. II
211054.1347 0.4870 -3.2899 3 163.6077225 89503 303372314 362313 a-Alanine, conf. II
211096.4170 25.6951 -5.2716 3 950.5493591 89503 303982474 982475 a-Alanine, conf. II
211096.4170 25.6951 -5.2716 3 950.5493591 89503 303982574 982375 a-Alanine, conf. II
211209.2955 0.1402 -3.1009 3 139.8495225 89503 303371325 361324 a-Alanine, conf. II
211214.6489 0.1937 -4.6689 3 54.1660141 89503 303231113 22 914 a-Alanine, conf. II
211230.7363 20.6288 -4.9359 3 736.6985531 89503 303881771 881772 a-Alanine, conf. II
211230.7363 20.6288 -4.9359 3 736.6985531 89503 303881871 881672 a-Alanine, conf. II
211261.7717 0.2942 -4.3138 3 150.5779243 89503 30340 832 39 931 a-Alanine, conf. II
211261.7729 0.2942 -3.0701 3 150.5779243 89503 30340 932 39 931 a-Alanine, conf. II
211261.7750 0.2942 -3.0701 3 150.5779243 89503 30340 832 39 831 a-Alanine, conf. II
211261.7762 0.2942 -4.3138 3 150.5779243 89503 30340 932 39 831 a-Alanine, conf. II
211401.4261 19.4123 -5.1983 3 494.8136405 89503 303673137 672938 a-Alanine, conf. II
211429.8528 38.2336 -4.7625 3 579.1544483 89503 303801169 801170 a-Alanine, conf. II
211429.8528 38.2336 -4.7625 3 579.1544483 89503 303801269 801070 a-Alanine, conf. II
211460.1560 10.8911 -5.1513 3 440.3006381 89503 303633034 632835 a-Alanine, conf. II
211513.9356 31.4403 -4.8343 3 656.0829507 89503 303841470 841471 a-Alanine, conf. II
211513.9356 31.4403 -4.8343 3 656.0829507 89503 303841570 841371 a-Alanine, conf. II
211526.7290 0.4499 -3.2588 3 160.4833225 89503 303372216 362215 a-Alanine, conf. II
211526.7338 0.4499 -3.2588 3 160.4833225 89503 303372215 362214 a-Alanine, conf. II
211647.3656 4.3685 -5.1277 3 320.1040321 89503 303532826 532627 a-Alanine, conf. II
211656.5016 4.3586 -5.1277 3 320.1037321 89503 303532825 532628 a-Alanine, conf. II
211742.3033 0.4371 -4.3859 3 74.9594153 89503 3032517 9 2416 8 a-Alanine, conf. II
211742.3131 0.4371 -4.3859 3 74.9594153 89503 3032517 8 2416 9 a-Alanine, conf. II
211768.2842 44.5945 -4.9065 3 399.6675423 89503 30370 367 70 368 a-Alanine, conf. II
211768.2842 44.5945 -4.9065 3 399.6675423 89503 30370 467 70 268 a-Alanine, conf. II
211774.4542 19.1773 -5.2140 3 331.0419339 89503 303562036 552233 a-Alanine, conf. II
211777.2095 0.1635 -4.6897 3 82.4761171 89503 303281315 271216 a-Alanine, conf. II
211791.2336 0.1468 -3.0982 3 139.8124225 89503 303371225 361224 a-Alanine, conf. II
211804.1758 0.2299 -4.7730 3 51.2103135 89503 303221210 211011 a-Alanine, conf. II
211811.9719 3.5803 -5.2095 3 249.4204279 89503 303462720 462521 a-Alanine, conf. II
211812.0535 3.5803 -5.2095 3 249.4204279 89503 303462719 462522 a-Alanine, conf. II
211864.7795 43.5163 -4.7415 3 486.4587453 89503 30375 768 75 769 a-Alanine, conf. II
211864.7795 43.5163 -4.7415 3 486.4587453 89503 30375 868 75 669 a-Alanine, conf. II
211892.5728 11.5894 -5.0230 3 797.7739549 89503 303911972 911973 a-Alanine, conf. II
211892.5728 11.5894 -5.0230 3 797.7739549 89503 303912072 911873 a-Alanine, conf. II
211960.1240 2.5813 -2.9930 3 159.0943273 89503 30345 144 44 143 a-Alanine, conf. II
211960.1240 2.5813 -4.1023 3 159.0943273 89503 30345 144 44 243 a-Alanine, conf. II
211960.1240 2.5813 -4.1023 3 159.0943273 89503 30345 244 44 143 a-Alanine, conf. II
211960.1240 2.5813 -2.9930 3 159.0943273 89503 30345 244 44 243 a-Alanine, conf. II
212085.5966 0.4177 -3.2297 3 157.5245225 89503 303372117 362116 a-Alanine, conf. II
212085.6713 0.4177 -3.2297 3 157.5245225 89503 303372116 362115 a-Alanine, conf. II
212128.6700 9.1906 -5.1487 3 440.2787381 89503 303633033 632836 a-Alanine, conf. II
212137.1502 0.1927 -4.4659 3 144.6691231 89503 303381127 371226 a-Alanine, conf. II
212163.5074 0.1934 -3.0914 3 144.6691231 89503 303381227 371226 a-Alanine, conf. II
212198.9491 0.1942 -3.0913 3 144.6670231 89503 303381127 371126 a-Alanine, conf. II
212225.3063 0.1950 -4.4655 3 144.6670231 89503 303381227 371126 a-Alanine, conf. II
212269.1708 1.0028 -4.2434 3 72.1705135 89503 3032221 1 2120 2 a-Alanine, conf. II
212269.1708 1.0028 -4.2434 3 72.1705135 89503 3032221 2 2120 1 a-Alanine, conf. II
212280.2628 0.3009 -3.0905 3 128.5411213 89503 303351421 341420 a-Alanine, conf. II
212284.5650 0.4055 -3.1270 3 138.5020219 89503 303361620 351619 a-Alanine, conf. II
212289.5887 0.9751 -3.0258 3 157.6702261 89503 30343 439 42 438 a-Alanine, conf. II
212289.5887 0.9751 -4.1778 3 157.6702261 89503 30343 439 42 538 a-Alanine, conf. II
212289.5887 0.9751 -4.1778 3 157.6702261 89503 30343 539 42 438 a-Alanine, conf. II
212289.5887 0.9751 -3.0258 3 157.6702261 89503 30343 539 42 538 a-Alanine, conf. II
212322.6880 0.1649 -4.5569 3 139.8124225 89503 303371325 361224 a-Alanine, conf. II
212371.7827 2.7025 -5.1200 3 860.8826567 89503 303942173 942174 a-Alanine, conf. II
212371.7827 2.7025 -5.1200 3 860.8826567 89503 303942273 942074 a-Alanine, conf. II
212390.8119 40.8596 -4.7516 3 558.7189477 89503 303791069 791070 a-Alanine, conf. II
212390.8119 40.8596 -4.7516 3 558.7189477 89503 303791169 79 970 a-Alanine, conf. II
212435.6659 25.6739 -4.9048 3 714.4159525 89503 303871671 871672 a-Alanine, conf. II
212435.6659 25.6739 -4.9048 3 714.4159525 89503 303871771 871572 a-Alanine, conf. II
212472.0233 45.2261 -5.0363 3 381.5969417 89503 30369 267 69 268 a-Alanine, conf. II
212472.0233 45.2261 -5.0363 3 381.5969417 89503 30369 367 69 168 a-Alanine, conf. II
212478.1962 0.1674 -4.7670 3 51.5037141 89503 30323 915 22 716 a-Alanine, conf. II
212565.7293 0.4860 -5.2458 3 39.1793111 89503 3031814 4 1712 5 a-Alanine, conf. II
212565.8056 0.4860 -5.2458 3 39.1793111 89503 3031814 5 1712 6 a-Alanine, conf. II
212590.5506 35.1631 -4.8117 3 634.7174501 89503 303831370 831371 a-Alanine, conf. II
212590.5506 35.1631 -4.8117 3 634.7174501 89503 303831470 831271 a-Alanine, conf. II
212637.6003 0.3661 -3.0558 3 154.4164249 89503 30341 734 40 733 a-Alanine, conf. II
212637.6003 0.3661 -4.2699 3 154.4164249 89503 30341 734 40 833 a-Alanine, conf. II
212637.6003 0.3661 -4.2699 3 154.4164249 89503 30341 834 40 733 a-Alanine, conf. II
212637.6003 0.3661 -3.0558 3 154.4164249 89503 30341 834 40 833 a-Alanine, conf. II
212658.1910 16.1250 -5.2260 3 926.0107585 89503 303972374 972375 a-Alanine, conf. II
212658.1910 16.1250 -5.2260 3 926.0107585 89503 303972474 972275 a-Alanine, conf. II
212688.7794 45.0120 -4.7592 3 467.1959447 89503 30374 668 74 669 a-Alanine, conf. II
212688.7794 45.0120 -4.7592 3 467.1959447 89503 30374 768 74 569 a-Alanine, conf. II
212695.8349 6.1358 -5.1224 3 377.6369351 89503 303582930 582731 a-Alanine, conf. II
212758.0930 0.3917 -3.2023 3 154.7365225 89503 303372018 362017 a-Alanine, conf. II
212759.0830 0.3919 -3.2023 3 154.7366225 89503 303372017 362016 a-Alanine, conf. II
212784.9502 5.9821 -5.1221 3 377.6339351 89503 303582929 582732 a-Alanine, conf. II
212841.7953 0.3410 -4.4323 3 77.5683159 89503 303261611 251510 a-Alanine, conf. II
212842.6383 0.3410 -4.4323 3 77.5683159 89503 303261610 251511 a-Alanine, conf. II
212905.0932 0.7951 -4.8011 3 150.8266231 89503 303381424 371523 a-Alanine, conf. II
213044.2535 3.6010 -5.2338 3 240.6093273 89503 303452719 452520 a-Alanine, conf. II
213044.2798 3.6009 -5.2338 3 240.6093273 89503 303452718 452521 a-Alanine, conf. II
213067.3003 0.1226 -5.0252 3 44.3899135 89503 30322 616 21 417 a-Alanine, conf. II
213149.1506 45.6862 -5.2917 3 363.7625411 89503 30368 167 68 168 a-Alanine, conf. II
213149.1506 45.6862 -5.2917 3 363.7625411 89503 30368 267 68 068 a-Alanine, conf. II
213189.2982 17.6971 -4.9872 3 774.8018543 89503 303901872 901873 a-Alanine, conf. II
213189.2982 17.6971 -4.9872 3 774.8018543 89503 303901972 901773 a-Alanine, conf. II
213260.1489 0.2454 -4.3965 3 149.2212237 89503 303391029 381128 a-Alanine, conf. II
213261.0456 0.2454 -3.0803 3 149.2212237 89503 303391129 381128 a-Alanine, conf. II
213261.3944 0.1206 -5.0246 3 44.3900135 89503 30322 716 21 517 a-Alanine, conf. II
213262.4272 0.2455 -3.0803 3 149.2212237 89503 303391029 381028 a-Alanine, conf. II
213263.3239 0.2455 -4.3964 3 149.2212237 89503 303391129 381028 a-Alanine, conf. II
213316.0751 43.2032 -4.7457 3 538.5102471 89503 30378 969 78 970 a-Alanine, conf. II
213316.0751 43.2032 -4.7457 3 538.5102471 89503 303781069 78 870 a-Alanine, conf. II
213366.3944 3.5399 -2.9771 3 161.5088279 89503 30346 046 45 045 a-Alanine, conf. II
213366.3944 3.5399 -4.0748 3 161.5088279 89503 30346 046 45 145 a-Alanine, conf. II
213366.3944 3.5399 -4.0748 3 161.5088279 89503 30346 146 45 045 a-Alanine, conf. II
213366.3944 3.5399 -2.9771 3 161.5088279 89503 30346 146 45 145 a-Alanine, conf. II
213387.8500 12.8314 -5.1908 3 494.7489405 89503 303673136 672939 a-Alanine, conf. II
213482.0911 46.2859 -4.7898 3 448.1648441 89503 30373 568 73 569 a-Alanine, conf. II
213482.0911 46.2859 -4.7898 3 448.1648441 89503 30373 668 73 469 a-Alanine, conf. II
213507.7693 4.3099 -5.1821 3 206.4306267 89503 303441826 431925 a-Alanine, conf. II
213508.8543 0.2078 -4.5777 3 84.0683171 89503 303281415 271314 a-Alanine, conf. II
213543.4990 4.2229 -5.1370 3 309.8779315 89503 303522825 522626 a-Alanine, conf. II
213547.0375 4.2193 -5.1370 3 309.8778315 89503 303522824 522627 a-Alanine, conf. II
213577.3157 0.8264 -4.2723 3 73.5176141 89503 3032320 3 2219 4 a-Alanine, conf. II
213577.3157 0.8264 -4.2723 3 73.5176141 89503 3032320 4 2219 3 a-Alanine, conf. II
213584.1027 0.3731 -3.1763 3 152.1269225 89503 303371919 361918 a-Alanine, conf. II
213595.0002 0.3751 -3.1763 3 152.1271225 89503 303371918 361917 a-Alanine, conf. II
213595.2192 30.3180 -4.8762 3 692.3519519 89503 303861571 861572 a-Alanine, conf. II
213595.2192 30.3180 -4.8762 3 692.3519519 89503 303861671 861472 a-Alanine, conf. II
213610.7557 17.8224 -5.2088 3 335.2547339 89503 303562234 552431 a-Alanine, conf. II
213627.0746 38.5466 -4.7924 3 613.5748495 89503 303821270 821271 a-Alanine, conf. II
213627.0746 38.5466 -4.7924 3 613.5748495 89503 303821370 821171 a-Alanine, conf. II
213653.0005 0.2377 -4.7696 3 51.1466135 89503 303221211 211012 a-Alanine, conf. II
213690.5456 0.2641 -4.4914 3 80.5852165 89503 303271513 261412 a-Alanine, conf. II
213712.9043 1.4499 -3.0104 3 160.6876267 89503 30344 341 43 340 a-Alanine, conf. II
213712.9043 1.4499 -4.1461 3 160.6876267 89503 30344 341 43 440 a-Alanine, conf. II
213712.9043 1.4499 -4.1461 3 160.6876267 89503 30344 441 43 340 a-Alanine, conf. II
213712.9043 1.4499 -3.0104 3 160.6876267 89503 30344 441 43 440 a-Alanine, conf. II
213717.0174 0.3400 -4.9789 3 44.6347123 89503 3032013 7 1911 8 a-Alanine, conf. II
213730.6444 0.2639 -4.4913 3 80.5841165 89503 303271512 261413 a-Alanine, conf. II
213742.4449 0.3401 -4.9788 3 44.6338123 89503 3032013 8 1911 9 a-Alanine, conf. II
213766.5352 7.3283 -5.0800 3 837.2275561 89503 303932073 932074 a-Alanine, conf. II
213766.5352 7.3283 -5.0800 3 837.2275561 89503 303932173 931974 a-Alanine, conf. II
213810.1060 0.1159 -3.0887 3 134.4391219 89503 303361323 351322 a-Alanine, conf. II
213867.7268 1.3697 -4.4785 3 230.4492231 89503 3033837 1 3737 0 a-Alanine, conf. II
213867.7268 1.3697 -4.4785 3 230.4492231 89503 3033837 2 3737 1 a-Alanine, conf. II
213973.6251 1.2930 -4.1720 3 225.2051231 89503 3033836 2 3736 1 a-Alanine, conf. II
213973.6251 1.2930 -4.1720 3 225.2051231 89503 3033836 3 3736 2 a-Alanine, conf. II
214041.1627 0.5066 -3.0412 3 158.0547255 89503 30342 636 41 635 a-Alanine, conf. II
214041.1627 0.5066 -4.2306 3 158.0547255 89503 30342 636 41 735 a-Alanine, conf. II
214041.1627 0.5066 -4.2306 3 158.0547255 89503 30342 736 41 635 a-Alanine, conf. II
214041.1627 0.5066 -3.0412 3 158.0547255 89503 30342 736 41 735 a-Alanine, conf. II
214089.2357 1.2186 -3.9907 3 220.1082231 89503 3033835 3 3735 2 a-Alanine, conf. II
214089.2357 1.2186 -3.9907 3 220.1082231 89503 3033835 4 3735 3 a-Alanine, conf. II
214158.0530 16.3388 -5.2484 3 552.5009429 89503 303713239 713042 a-Alanine, conf. II
214158.0613 7.4119 -5.1822 3 901.6792579 89503 303962274 962275 a-Alanine, conf. II
214158.0613 7.4119 -5.1822 3 901.6792579 89503 303962374 962175 a-Alanine, conf. II
214178.2179 3.6335 -5.2611 3 232.0012267 89503 303442718 442519 a-Alanine, conf. II
214178.2260 3.6335 -5.2611 3 232.0012267 89503 303442717 442520 a-Alanine, conf. II
214207.1551 45.2780 -4.7459 3 518.5296465 89503 30377 869 77 870 a-Alanine, conf. II
214207.1551 45.2780 -4.7459 3 518.5296465 89503 30377 969 77 770 a-Alanine, conf. II
214215.7578 1.1466 -3.8610 3 215.1587231 89503 3033834 4 3734 3 a-Alanine, conf. II
214215.7578 1.1466 -3.8610 3 215.1587231 89503 3033834 5 3734 4 a-Alanine, conf. II
214245.9213 47.3494 -4.8388 3 429.3665435 89503 30372 468 72 469 a-Alanine, conf. II
214245.9213 47.3494 -4.8388 3 429.3665435 89503 30372 568 72 369 a-Alanine, conf. II
214354.5917 1.0770 -3.7596 3 210.3573231 89503 3033833 5 3733 4 a-Alanine, conf. II
214354.5917 1.0770 -3.7596 3 210.3573231 89503 3033833 6 3733 5 a-Alanine, conf. II
214434.1228 0.1424 -3.0947 3 141.7796225 89503 303371424 361423 a-Alanine, conf. II
214436.9003 23.3863 -4.9535 3 752.0452537 89503 303891772 891773 a-Alanine, conf. II
214436.9003 23.3863 -4.9535 3 752.0452537 89503 303891872 891673 a-Alanine, conf. II
214507.3822 1.0098 -3.6762 3 205.7042231 89503 3033832 6 3732 5 a-Alanine, conf. II
214507.3822 1.0098 -3.6762 3 205.7042231 89503 3033832 7 3732 6 a-Alanine, conf. II
214511.5264 0.2920 -4.3404 3 153.5330243 89503 30340 931 391030 a-Alanine, conf. II
214511.5486 0.2920 -3.0678 3 153.5330243 89503 303401031 391030 a-Alanine, conf. II
214511.5865 0.2920 -3.0678 3 153.5330243 89503 30340 931 39 930 a-Alanine, conf. II
214511.6086 0.2920 -4.3404 3 153.5330243 89503 303401031 39 930 a-Alanine, conf. II
214561.0807 0.2047 -4.5747 3 84.0412171 89503 303281414 271315 a-Alanine, conf. II
214607.8404 0.3616 -3.1514 3 149.7059225 89503 303371820 361819 a-Alanine, conf. II
214625.3184 41.6065 -4.7768 3 592.6562489 89503 303811170 811171 a-Alanine, conf. II
214625.3184 41.6065 -4.7768 3 592.6562489 89503 303811270 811071 a-Alanine, conf. II
214633.2093 0.2244 -4.7030 3 55.5470141 89503 303231211 221012 a-Alanine, conf. II
214676.0751 0.9451 -3.6055 3 201.2001231 89503 3033831 7 3731 6 a-Alanine, conf. II
214676.0751 0.9451 -3.6055 3 201.2001231 89503 3033831 8 3731 7 a-Alanine, conf. II
214705.2989 0.3760 -3.1510 3 149.7080225 89503 303371819 361818 a-Alanine, conf. II
214711.6019 34.5764 -4.8503 3 670.5077513 89503 303851471 851472 a-Alanine, conf. II
214711.6019 34.5764 -4.8503 3 670.5077513 89503 303851571 851372 a-Alanine, conf. II
214862.9909 0.8830 -3.5440 3 196.8458231 89503 3033830 8 3730 7 a-Alanine, conf. II
214862.9909 0.8830 -3.5440 3 196.8458231 89503 3033830 9 3730 8 a-Alanine, conf. II
214867.1151 0.6718 -4.3038 3 75.2180147 89503 3032419 5 2318 6 a-Alanine, conf. II
214867.1151 0.6718 -4.3038 3 75.2180147 89503 3032419 6 2318 5 a-Alanine, conf. II
214896.5902 9.0631 -5.1429 3 428.0146375 89503 303623033 622834 a-Alanine, conf. II
214981.4058 48.2132 -4.9164 3 410.8022429 89503 30371 368 71 369 a-Alanine, conf. II
214981.4058 48.2132 -4.9164 3 410.8022429 89503 30371 468 71 269 a-Alanine, conf. II
215016.2110 27.5584 -5.2409 3 538.6819423 89503 303703239 703040 a-Alanine, conf. II
215065.4649 47.0972 -4.7536 3 498.7783459 89503 30376 769 76 770 a-Alanine, conf. II
215065.4649 47.0972 -4.7536 3 498.7783459 89503 30376 869 76 670 a-Alanine, conf. II
215070.9218 0.8236 -3.4897 3 192.6418231 89503 3033829 9 3729 8 a-Alanine, conf. II
215070.9218 0.8236 -3.4897 3 192.6418231 89503 303382910 3729 9 a-Alanine, conf. II
215107.9115 14.0557 -5.0418 3 813.7846555 89503 303921973 921974 a-Alanine, conf. II
215107.9115 14.0557 -5.0418 3 813.7846555 89503 303922073 921874 a-Alanine, conf. II
215132.0339 2.0902 -2.9949 3 163.5186273 89503 30345 243 44 242 a-Alanine, conf. II
215132.0339 2.0902 -4.1164 3 163.5186273 89503 30345 243 44 342 a-Alanine, conf. II
215132.0339 2.0902 -4.1164 3 163.5186273 89503 30345 343 44 242 a-Alanine, conf. II
215132.0339 2.0902 -2.9949 3 163.5186273 89503 30345 343 44 342 a-Alanine, conf. II
215183.5492 5.6136 -5.1231 3 366.3915345 89503 303572929 572730 a-Alanine, conf. II
215208.1080 8.3102 -5.1417 3 428.0044375 89503 303623032 622835 a-Alanine, conf. II
215221.4826 5.5528 -5.1230 3 366.3903345 89503 303572928 572731 a-Alanine, conf. II
215282.2442 4.1277 -5.1486 3 299.8610309 89503 303512824 512625 a-Alanine, conf. II
215283.5692 4.1265 -5.1486 3 299.8609309 89503 303512823 512626 a-Alanine, conf. II
215303.2623 0.7669 -3.4411 3 188.5893231 89503 303382810 3728 9 a-Alanine, conf. II
215303.2623 0.7669 -3.4411 3 188.5893231 89503 303382811 372810 a-Alanine, conf. II
215322.4484 2.7562 -4.9867 3 298.4448321 89503 303532033 522230 a-Alanine, conf. II
215458.2785 0.7534 -3.0264 3 161.4984261 89503 30343 538 42 537 a-Alanine, conf. II
215458.2785 0.7534 -4.1949 3 161.4984261 89503 30343 538 42 637 a-Alanine, conf. II
215458.2785 0.7534 -4.1949 3 161.4984261 89503 30343 638 42 537 a-Alanine, conf. II
215458.2785 0.7534 -3.0264 3 161.4984261 89503 30343 638 42 637 a-Alanine, conf. II
215480.7469 0.1716 -4.5214 3 146.8947231 89503 303381226 371325 a-Alanine, conf. II
215564.1885 0.7131 -3.3972 3 184.6893231 89503 303382711 372710 a-Alanine, conf. II
215564.1885 0.7131 -3.3972 3 184.6893231 89503 303382712 372711 a-Alanine, conf. II
215586.9617 44.3582 -4.7655 3 571.9632483 89503 303801070 801071 a-Alanine, conf. II
215586.9617 44.3582 -4.7655 3 571.9632483 89503 303801170 80 971 a-Alanine, conf. II
215599.6849 3.1052 -5.1400 3 877.5567573 89503 303952174 952175 a-Alanine, conf. II
215599.6849 3.1052 -5.1400 3 877.5567573 89503 303952274 952075 a-Alanine, conf. II
215637.8829 28.6468 -4.9221 3 729.5056531 89503 303881672 881673 a-Alanine, conf. II
215637.8829 28.6468 -4.9221 3 729.5056531 89503 303881772 881573 a-Alanine, conf. II
215689.6165 48.8877 -5.0458 3 392.4728423 89503 30370 268 70 269 a-Alanine, conf. II
215689.6165 48.8877 -5.0458 3 392.4728423 89503 30370 368 70 169 a-Alanine, conf. II
215725.9385 0.1757 -3.0848 3 146.8947231 89503 303381326 371325 a-Alanine, conf. II
215786.8454 38.4659 -4.8273 3 648.8850507 89503 303841371 841372 a-Alanine, conf. II
215786.8454 38.4659 -4.8273 3 648.8850507 89503 303841471 841272 a-Alanine, conf. II
215787.7328 0.3461 -3.1277 3 147.4860225 89503 303371721 361720 a-Alanine, conf. II
215846.7127 0.3430 -4.2928 3 157.6248249 89503 30341 833 40 932 a-Alanine, conf. II
215846.7132 0.3430 -3.0545 3 157.6248249 89503 30341 933 40 932 a-Alanine, conf. II
215846.7139 0.3430 -3.0545 3 157.6248249 89503 30341 833 40 832 a-Alanine, conf. II
215846.7143 0.3430 -4.2928 3 157.6248249 89503 30341 933 40 832 a-Alanine, conf. II
215858.9103 0.6625 -3.3571 3 180.9433231 89503 303382612 372611 a-Alanine, conf. II
215858.9103 0.6625 -3.3571 3 180.9433231 89503 303382613 372612 a-Alanine, conf. II
215867.8107 14.9714 -5.1820 3 481.6884399 89503 303663136 662937 a-Alanine, conf. II
215892.3270 48.6731 -4.7709 3 479.2573453 89503 30375 669 75 670 a-Alanine, conf. II
215892.3270 48.6731 -4.7709 3 479.2573453 89503 30375 769 75 570 a-Alanine, conf. II
215902.5661 14.4591 -5.2473 3 943.3476591 89503 303982375 982376 a-Alanine, conf. II
215902.5661 14.4591 -5.2473 3 943.3476591 89503 303982475 982276 a-Alanine, conf. II
216012.2012 0.1805 -3.0836 3 146.8770231 89503 303381226 371225 a-Alanine, conf. II
216118.5978 0.5381 -4.3391 3 77.2796153 89503 3032518 8 2417 7 a-Alanine, conf. II
216118.5981 0.5381 -4.3391 3 77.2796153 89503 3032518 7 2417 8 a-Alanine, conf. II
216194.0362 0.6153 -3.3204 3 177.3528231 89503 303382513 372512 a-Alanine, conf. II
216194.0362 0.6153 -3.3204 3 177.3528231 89503 303382514 372513 a-Alanine, conf. II
216237.5721 0.1467 -4.8891 3 81.0165171 89503 303281216 271117 a-Alanine, conf. II
216257.3928 0.1891 -4.5178 3 146.8770231 89503 303381326 371225 a-Alanine, conf. II
216398.7746 20.4312 -5.0057 3 790.5556549 89503 303911873 911874 a-Alanine, conf. II
216398.7746 20.4312 -5.0057 3 790.5556549 89503 303911973 911774 a-Alanine, conf. II
216446.9935 0.2088 -3.0953 3 143.6067225 89503 303371523 361522 a-Alanine, conf. II
216463.2120 0.4252 -3.1249 3 147.5039225 89503 303371720 361719 a-Alanine, conf. II
216464.2662 0.2238 -4.6307 3 60.1293147 89503 303241212 231013 a-Alanine, conf. II
216513.5672 46.8162 -4.7592 3 551.4968477 89503 30379 970 79 971 a-Alanine, conf. II
216513.5672 46.8162 -4.7592 3 551.4968477 89503 303791070 79 871 a-Alanine, conf. II
216544.1198 2.9231 -2.9796 3 166.1645279 89503 30346 145 45 144 a-Alanine, conf. II
216544.1198 2.9231 -4.0884 3 166.1645279 89503 30346 145 45 244 a-Alanine, conf. II
216544.1198 2.9231 -4.0884 3 166.1645279 89503 30346 245 45 144 a-Alanine, conf. II
216544.1198 2.9231 -2.9796 3 166.1645279 89503 30346 245 45 244 a-Alanine, conf. II
216578.1186 0.5719 -3.2865 3 173.9200231 89503 303382414 372413 a-Alanine, conf. II
216578.1186 0.5719 -3.2865 3 173.9200231 89503 303382415 372414 a-Alanine, conf. II
216579.7778 1.1792 -4.2067 3 75.1154135 89503 3032222 0 2121 1 a-Alanine, conf. II
216579.7778 1.1792 -4.2067 3 75.1154135 89503 3032222 1 2121 0 a-Alanine, conf. II
216623.0150 0.4693 -3.0886 3 136.8546219 89503 303361521 351520 a-Alanine, conf. II
216647.8625 2.4327 -5.0060 3 177.5385249 89503 303411625 401724 a-Alanine, conf. II
216667.8124 0.2342 -4.4351 3 151.7461237 89503 303391128 381227 a-Alanine, conf. II
216678.8206 0.2346 -3.0757 3 151.7461237 89503 303391228 381227 a-Alanine, conf. II
216688.9822 50.0180 -4.8011 3 459.9679447 89503 30374 569 74 570 a-Alanine, conf. II
216688.9822 50.0180 -4.8011 3 459.9679447 89503 30374 669 74 470 a-Alanine, conf. II
216694.1696 0.2350 -3.0756 3 151.7452237 89503 303391128 381127 a-Alanine, conf. II
216705.1779 0.2354 -4.4349 3 151.7452237 89503 303391228 381127 a-Alanine, conf. II
216707.5242 0.2978 -3.1072 3 145.4686225 89503 303371622 361621 a-Alanine, conf. II
216720.4416 0.1665 -5.0723 3 74.3629165 89503 303271116 261017 a-Alanine, conf. II
216794.5403 33.4906 -4.8931 3 707.1844525 89503 303871572 871573 a-Alanine, conf. II
216794.5403 33.4906 -4.8931 3 707.1844525 89503 303871672 871473 a-Alanine, conf. II
216822.8264 42.0032 -4.8076 3 627.4850501 89503 303831271 831272 a-Alanine, conf. II
216822.8264 42.0032 -4.8076 3 627.4850501 89503 303831371 831172 a-Alanine, conf. II
216849.5300 11.8118 -5.1783 3 481.6563399 89503 303663135 662938 a-Alanine, conf. II
216880.2083 1.1324 -3.0116 3 164.7514267 89503 30344 440 43 439 a-Alanine, conf. II
216880.2083 1.1324 -4.1620 3 164.7514267 89503 30344 440 43 539 a-Alanine, conf. II
216880.2083 1.1324 -4.1620 3 164.7514267 89503 30344 540 43 439 a-Alanine, conf. II
216880.2083 1.1324 -3.0116 3 164.7514267 89503 30344 540 43 539 a-Alanine, conf. II
216880.4893 4.0706 -5.1625 3 290.0517303 89503 303502823 502624 a-Alanine, conf. II
216880.9687 4.0701 -5.1625 3 290.0517303 89503 303502822 502625 a-Alanine, conf. II
216986.3631 9.6730 -5.0997 3 853.6447567 89503 303942074 942075 a-Alanine, conf. II
216986.3631 9.6730 -5.0997 3 853.6447567 89503 303942174 941975 a-Alanine, conf. II
217022.5042 0.5327 -3.2550 3 170.6477231 89503 303382316 372315 a-Alanine, conf. II
217022.5052 0.5327 -3.2550 3 170.6477231 89503 303382315 372314 a-Alanine, conf. II
217091.8843 5.9573 -5.2756 3 258.6674297 89503 303492128 482227 a-Alanine, conf. II
217227.5467 0.4290 -3.0408 3 161.5093255 89503 30342 735 41 734 a-Alanine, conf. II
217227.5467 0.4290 -4.2508 3 161.5093255 89503 30342 735 41 834 a-Alanine, conf. II
217227.5467 0.4290 -4.2508 3 161.5093255 89503 30342 835 41 734 a-Alanine, conf. II
217227.5467 0.4290 -3.0408 3 161.5093255 89503 30342 835 41 834 a-Alanine, conf. II
217260.2455 0.1434 -3.0800 3 141.5711225 89503 303371324 361323 a-Alanine, conf. II
217295.5311 0.4247 -4.3799 3 79.7142159 89503 303261710 2516 9 a-Alanine, conf. II
217295.5741 0.4247 -4.3799 3 79.7142159 89503 3032617 9 251610 a-Alanine, conf. II
217391.7910 5.6157 -5.2031 3 918.7593585 89503 303972275 972276 a-Alanine, conf. II
217391.7910 5.6157 -5.2031 3 918.7593585 89503 303972375 972176 a-Alanine, conf. II
217406.5924 48.9947 -4.7590 3 531.2583471 89503 30378 870 78 871 a-Alanine, conf. II
217406.5924 48.9947 -4.7590 3 531.2583471 89503 30378 970 78 771 a-Alanine, conf. II
217413.2925 0.2385 -4.6113 3 148.9323231 89503 303381325 371424 a-Alanine, conf. II
217442.0621 5.2471 -5.1261 3 355.3608339 89503 303562928 562729 a-Alanine, conf. II
217456.5973 51.1434 -4.8496 3 440.9112441 89503 30373 469 73 470 a-Alanine, conf. II
217456.5973 51.1434 -4.8496 3 440.9112441 89503 30373 569 73 370 a-Alanine, conf. II
217457.7004 5.2239 -5.1261 3 355.3603339 89503 303562927 562730 a-Alanine, conf. II
217542.7251 0.4985 -3.2255 3 167.5391231 89503 303382217 372216 a-Alanine, conf. II
217542.7413 0.4985 -3.2255 3 167.5391231 89503 303382216 372215 a-Alanine, conf. II
217572.0140 0.1590 -4.8802 3 49.9523141 89503 30323 716 22 517 a-Alanine, conf. II
217591.2081 0.2268 -4.5467 3 64.9546153 89503 303251213 241014 a-Alanine, conf. II
217596.1255 12.3139 -5.0759 3 319.9171333 89503 303552035 542232 a-Alanine, conf. II
217641.7350 26.3596 -4.9717 3 767.5421543 89503 303901773 901774 a-Alanine, conf. II
217641.7350 26.3596 -4.9717 3 767.5421543 89503 303901873 901674 a-Alanine, conf. II
217810.6131 16.1870 -5.2307 3 538.5910423 89503 303703238 703041 a-Alanine, conf. II
217815.3461 0.2898 -4.3710 3 156.3349243 89503 303401030 391129 a-Alanine, conf. II
217815.6937 0.2898 -3.0648 3 156.3349243 89503 303401130 391129 a-Alanine, conf. II
217816.2428 0.2899 -3.0648 3 156.3348243 89503 303401030 391029 a-Alanine, conf. II
217816.5905 0.2899 -4.3710 3 156.3348243 89503 303401130 391029 a-Alanine, conf. II
217821.2835 45.2047 -4.7916 3 606.3090495 89503 303821171 821172 a-Alanine, conf. II
217821.2835 45.2047 -4.7916 3 606.3090495 89503 303821271 821072 a-Alanine, conf. II
217830.7305 0.2101 -4.5951 3 89.5402177 89503 303291416 281315 a-Alanine, conf. II
217856.1685 0.4704 -5.1339 3 42.5982117 89503 3031914 5 1812 6 a-Alanine, conf. II
217856.5319 0.4704 -5.1339 3 42.5982117 89503 3031914 6 1812 7 a-Alanine, conf. II
217892.3660 0.9821 -4.2340 3 76.3100141 89503 3032321 2 2220 3 a-Alanine, conf. II
217892.3660 0.9821 -4.2340 3 76.3100141 89503 3032321 3 2220 2 a-Alanine, conf. II
217908.9826 37.9343 -4.8668 3 685.0832519 89503 303861472 861473 a-Alanine, conf. II
217908.9826 37.9343 -4.8668 3 685.0832519 89503 303861572 861373 a-Alanine, conf. II
217919.3916 7.8475 -5.1374 3 415.9531369 89503 303613032 612833 a-Alanine, conf. II
217947.1101 3.9793 -2.9642 3 168.6259285 89503 30347 047 46 046 a-Alanine, conf. II
217947.1101 3.9793 -4.0618 3 168.6259285 89503 30347 047 46 146 a-Alanine, conf. II
217947.1101 3.9793 -4.0618 3 168.6259285 89503 30347 147 46 046 a-Alanine, conf. II
217947.1101 3.9793 -2.9642 3 168.6259285 89503 30347 147 46 146 a-Alanine, conf. II
218059.8568 7.5276 -5.1369 3 415.9485369 89503 303613031 612834 a-Alanine, conf. II
218160.8695 0.4704 -3.1979 3 164.5989231 89503 303382118 372117 a-Alanine, conf. II
218161.1029 0.4704 -3.1979 3 164.5989231 89503 303382117 372116 a-Alanine, conf. II
218176.8463 0.2018 -4.6210 3 58.5912147 89503 303241114 23 915 a-Alanine, conf. II
218196.2717 52.0603 -4.9268 3 422.0883435 89503 30372 369 72 370 a-Alanine, conf. II
218196.2717 52.0603 -4.9268 3 422.0883435 89503 30372 469 72 270 a-Alanine, conf. II
218267.3998 50.9070 -4.7662 3 511.2490465 89503 30377 770 77 771 a-Alanine, conf. II
218267.3998 50.9070 -4.7662 3 511.2490465 89503 30377 870 77 671 a-Alanine, conf. II
218296.8817 0.2770 -3.0662 3 135.6220219 89503 303361422 351421 a-Alanine, conf. II
218301.2823 1.6659 -2.9967 3 167.8163273 89503 30345 342 44 341 a-Alanine, conf. II
218301.2823 1.6659 -4.1314 3 167.8163273 89503 30345 342 44 441 a-Alanine, conf. II
218301.2823 1.6659 -4.1314 3 167.8163273 89503 30345 442 44 341 a-Alanine, conf. II
218301.2823 1.6659 -2.9967 3 167.8163273 89503 30345 442 44 441 a-Alanine, conf. II
218321.0888 16.7415 -5.0613 3 829.9451561 89503 303931974 931975 a-Alanine, conf. II
218321.0888 16.7415 -5.0613 3 829.9451561 89503 303932074 931875 a-Alanine, conf. II
218326.4869 0.3313 -4.4293 3 82.5394165 89503 303271612 261511 a-Alanine, conf. II
218329.4329 0.3312 -4.4293 3 82.5393165 89503 303271611 261512 a-Alanine, conf. II
218352.0814 4.0426 -5.1788 3 280.4487297 89503 303492822 492623 a-Alanine, conf. II
218352.2489 4.0425 -5.1788 3 280.4487297 89503 303492821 492624 a-Alanine, conf. II
218367.3354 0.1529 -4.8782 3 49.9528141 89503 30323 816 22 617 a-Alanine, conf. II
218502.4486 0.1863 -4.6636 3 57.2367147 89503 303241015 23 816 a-Alanine, conf. II
218514.6448 0.2363 -4.6998 3 55.4118141 89503 303231212 221013 a-Alanine, conf. II
218604.2193 0.3283 -4.8951 3 48.4730129 89503 3032113 8 2011 9 a-Alanine, conf. II
218632.6209 0.5952 -3.0267 3 165.1944261 89503 30343 637 42 636 a-Alanine, conf. II
218632.6209 0.5952 -4.2132 3 165.1944261 89503 30343 637 42 736 a-Alanine, conf. II
218632.6209 0.5952 -4.2132 3 165.1944261 89503 30343 737 42 636 a-Alanine, conf. II
218632.6209 0.5952 -3.0267 3 165.1944261 89503 30343 737 42 736 a-Alanine, conf. II
218683.8228 0.3286 -4.8948 3 48.4703129 89503 3032113 9 201110 a-Alanine, conf. II
218757.2400 5.5513 -5.2005 3 226.1315279 89503 303461927 452026 a-Alanine, conf. II
218783.8317 48.0860 -4.7799 3 585.3584489 89503 303811071 811072 a-Alanine, conf. II
218783.8317 48.0860 -4.7799 3 585.3584489 89503 303811171 81 972 a-Alanine, conf. II
218824.4401 4.7761 -5.1607 3 894.3801579 89503 303962175 962176 a-Alanine, conf. II
218824.4401 4.7761 -5.1607 3 894.3801579 89503 303962275 962076 a-Alanine, conf. II
218839.1814 31.8412 -4.9399 3 744.7455537 89503 303891673 891674 a-Alanine, conf. II
218839.1814 31.8412 -4.9399 3 744.7455537 89503 303891773 891574 a-Alanine, conf. II
218859.9848 0.0918 -5.1862 3 42.6519135 89503 30322 517 21 318 a-Alanine, conf. II
218860.6494 0.2272 -4.4494 3 70.0053159 89503 303261214 251015 a-Alanine, conf. II
218875.2650 0.0916 -5.1861 3 42.6519135 89503 30322 617 21 418 a-Alanine, conf. II
218909.0435 52.7794 -5.0558 3 403.5002429 89503 30371 269 71 270 a-Alanine, conf. II
218909.0435 52.7794 -5.0558 3 403.5002429 89503 30371 369 71 170 a-Alanine, conf. II
218909.3889 0.4497 -3.1717 3 161.8334231 89503 303382019 372018 a-Alanine, conf. II
218912.2085 0.4504 -3.1717 3 161.8334231 89503 303382018 372017 a-Alanine, conf. II
218983.1561 41.9955 -4.8434 3 663.2033513 89503 303851372 851373 a-Alanine, conf. II
218983.1561 41.9955 -4.8434 3 663.2033513 89503 303851472 851273 a-Alanine, conf. II
219004.0764 0.2579 -4.4939 3 85.7863171 89503 303281514 271413 a-Alanine, conf. II
219081.3966 5.0268 -4.9900 3 309.0439327 89503 303542034 532231 a-Alanine, conf. II
219087.1807 0.3397 -4.3183 3 160.6883249 89503 30341 932 401031 a-Alanine, conf. II
219087.1888 0.3397 -3.0527 3 160.6883249 89503 303411032 401031 a-Alanine, conf. II
219087.2029 0.3397 -3.0527 3 160.6883249 89503 30341 932 40 931 a-Alanine, conf. II
219087.2110 0.3397 -4.3183 3 160.6883249 89503 303411032 40 931 a-Alanine, conf. II
219097.2663 52.5662 -4.7831 3 491.4700459 89503 30376 670 76 671 a-Alanine, conf. II
219097.2663 52.5662 -4.7831 3 491.4700459 89503 30376 770 76 571 a-Alanine, conf. II
219118.7949 0.2571 -4.4936 3 85.7833171 89503 303281513 271414 a-Alanine, conf. II
219142.6221 12.6119 -5.2691 3 960.8333597 89503 303992376 992377 a-Alanine, conf. II
219142.6221 12.6119 -5.2691 3 960.8333597 89503 303992476 992277 a-Alanine, conf. II
219180.5300 0.1658 -3.0780 3 148.9323231 89503 303381425 371424 a-Alanine, conf. II
219193.6171 0.8076 -4.2634 3 77.8546147 89503 3032420 4 2319 5 a-Alanine, conf. II
219193.6171 0.8076 -4.2634 3 77.8546147 89503 3032420 5 2319 4 a-Alanine, conf. II
219256.4331 0.1995 -5.2283 3 67.9397159 89503 303261016 25 917 a-Alanine, conf. II
219476.3963 1.5024 -4.4822 3 242.9707237 89503 3033938 1 3838 0 a-Alanine, conf. II
219476.3963 1.5024 -4.4822 3 242.9707237 89503 3033938 2 3838 1 a-Alanine, conf. II
219505.5369 4.9882 -5.1313 3 344.5425333 89503 303552927 552728 a-Alanine, conf. II
219511.7814 4.9796 -5.1313 3 344.5423333 89503 303552926 552729 a-Alanine, conf. II
219581.7147 1.4220 -4.1752 3 237.5831237 89503 3033937 2 3837 1 a-Alanine, conf. II
219581.7147 1.4220 -4.1752 3 237.5831237 89503 3033937 3 3837 2 a-Alanine, conf. II
219601.6932 0.1634 -4.7291 3 87.9262177 89503 303291316 281217 a-Alanine, conf. II
219606.5862 23.3863 -5.0248 3 806.4593555 89503 303921874 921875 a-Alanine, conf. II
219606.5862 23.3863 -5.0248 3 806.4593555 89503 303921974 921775 a-Alanine, conf. II
219655.4288 12.1107 -5.1697 3 468.7993393 89503 303653135 652936 a-Alanine, conf. II
219696.4378 1.3440 -3.9935 3 232.3425237 89503 3033936 3 3836 2 a-Alanine, conf. II
219696.4378 1.3440 -3.9935 3 232.3425237 89503 3033936 4 3836 3 a-Alanine, conf. II
219708.6894 4.0376 -5.1976 3 271.0507291 89503 303482821 482622 a-Alanine, conf. II
219708.7458 4.0376 -5.1976 3 271.0507291 89503 303482820 482623 a-Alanine, conf. II
219711.9757 50.6622 -4.7732 3 564.6344483 89503 30380 971 80 972 a-Alanine, conf. II
219711.9757 50.6622 -4.7732 3 564.6344483 89503 303801071 80 872 a-Alanine, conf. II
219717.6632 2.3788 -2.9819 3 170.6946279 89503 30346 244 45 243 a-Alanine, conf. II
219717.6632 2.3788 -4.1027 3 170.6946279 89503 30346 244 45 343 a-Alanine, conf. II
219717.6632 2.3788 -4.1027 3 170.6946279 89503 30346 344 45 243 a-Alanine, conf. II
219717.6632 2.3788 -2.9819 3 170.6946279 89503 30346 344 45 343 a-Alanine, conf. II
219821.6920 1.2685 -3.8633 3 227.2494237 89503 3033935 4 3835 3 a-Alanine, conf. II
219821.6920 1.2685 -3.8633 3 227.2494237 89503 3033935 5 3835 4 a-Alanine, conf. II
219833.2971 0.4377 -3.1467 3 159.2513231 89503 303381920 371919 a-Alanine, conf. II
219861.4728 0.4432 -3.1466 3 159.2518231 89503 303381919 371918 a-Alanine, conf. II
219884.4310 0.5582 -3.0929 3 145.5831225 89503 303371621 361620 a-Alanine, conf. II
219897.3912 53.9846 -4.8129 3 471.9223453 89503 30375 570 75 571 a-Alanine, conf. II
219897.3912 53.9846 -4.8129 3 471.9223453 89503 30375 670 75 471 a-Alanine, conf. II
219958.7863 1.1955 -3.7614 3 222.3042237 89503 3033934 5 3834 4 a-Alanine, conf. II
219958.7863 1.1955 -3.7614 3 222.3042237 89503 3033934 6 3834 5 a-Alanine, conf. II
219993.3069 36.8903 -4.9106 3 722.1674531 89503 303881573 881574 a-Alanine, conf. II
219993.3069 36.8903 -4.9106 3 722.1674531 89503 303881673 881474 a-Alanine, conf. II
220012.3992 20.7691 -5.2203 3 524.9462417 89503 303693238 693039 a-Alanine, conf. II
220018.8617 45.6914 -4.8233 3 641.5460507 89503 303841272 841273 a-Alanine, conf. II
220018.8617 45.6914 -4.8233 3 641.5460507 89503 303841372 841173 a-Alanine, conf. II
220049.2825 0.8800 -3.0126 3 168.6853267 89503 30344 539 43 538 a-Alanine, conf. II
220049.2825 0.8800 -4.1789 3 168.6853267 89503 30344 539 43 638 a-Alanine, conf. II
220049.2825 0.8800 -4.1789 3 168.6853267 89503 30344 639 43 538 a-Alanine, conf. II
220049.2825 0.8800 -3.0126 3 168.6853267 89503 30344 639 43 638 a-Alanine, conf. II
220061.7951 0.3570 -4.6761 3 134.4391219 89503 303361423 351322 a-Alanine, conf. II
220109.2513 1.1251 -3.6777 3 217.5073237 89503 3033933 6 3833 5 a-Alanine, conf. II
220109.2513 1.1251 -3.6777 3 217.5073237 89503 3033933 7 3833 6 a-Alanine, conf. II
220109.8498 0.2137 -4.4841 3 154.0905237 89503 303391227 381326 a-Alanine, conf. II
220123.8249 10.6627 -5.1679 3 468.7839393 89503 303653134 652937 a-Alanine, conf. II
220203.6448 12.2657 -5.1200 3 870.2115573 89503 303952075 952076 a-Alanine, conf. II
220203.6448 12.2657 -5.1200 3 870.2115573 89503 303952175 951976 a-Alanine, conf. II
220219.7752 0.2169 -3.0699 3 154.0905237 89503 303391327 381326 a-Alanine, conf. II
220270.7518 0.2008 -4.5889 3 89.4787177 89503 303291415 281316 a-Alanine, conf. II
220274.8876 1.0573 -3.6065 3 212.8594237 89503 3033932 7 3832 6 a-Alanine, conf. II
220274.8876 1.0573 -3.6065 3 212.8594237 89503 3033932 8 3832 7 a-Alanine, conf. II
220355.0414 0.2200 -3.0693 3 154.0824237 89503 303391227 381226 a-Alanine, conf. II
220432.1450 0.3981 -4.2731 3 164.8247255 89503 30342 834 41 933 a-Alanine, conf. II
220432.1452 0.3981 -3.0399 3 164.8247255 89503 30342 934 41 933 a-Alanine, conf. II
220432.1454 0.3981 -3.0399 3 164.8247255 89503 30342 834 41 833 a-Alanine, conf. II
220432.1456 0.3981 -4.2731 3 164.8247255 89503 30342 934 41 833 a-Alanine, conf. II
220457.8305 0.9922 -3.5446 3 208.3610237 89503 3033931 8 3831 7 a-Alanine, conf. II
220457.8305 0.9922 -3.5446 3 208.3610237 89503 3033931 9 3831 8 a-Alanine, conf. II
220464.9668 0.2243 -4.4825 3 154.0824237 89503 303391327 381226 a-Alanine, conf. II
220469.5604 0.6549 -4.2959 3 79.7557153 89503 3032519 6 2418 7 a-Alanine, conf. II
220469.5604 0.6549 -4.2959 3 79.7557153 89503 3032519 7 2418 6 a-Alanine, conf. II
220607.1202 52.9478 -4.7725 3 544.1381477 89503 30379 871 79 872 a-Alanine, conf. II
220607.1202 52.9478 -4.7725 3 544.1381477 89503 30379 971 79 772 a-Alanine, conf. II
220621.9307 3.9243 -5.2246 3 935.9885591 89503 303982276 982277 a-Alanine, conf. II
220621.9307 3.9243 -5.2246 3 935.9885591 89503 303982376 982177 a-Alanine, conf. II
220625.3202 7.0100 -5.1344 3 404.1115363 89503 303603031 602832 a-Alanine, conf. II
220633.1750 0.1910 -4.5180 3 67.8938159 89503 303261016 25 817 a-Alanine, conf. II
220655.9101 0.1902 -4.7581 3 55.7324147 89503 30324 816 23 617 a-Alanine, conf. II
220660.6323 0.9299 -3.4898 3 204.0128237 89503 3033930 9 3830 8 a-Alanine, conf. II
220660.6323 0.9299 -3.4898 3 204.0128237 89503 303393010 3830 9 a-Alanine, conf. II
220668.9030 55.1742 -4.8610 3 452.6072447 89503 30374 470 74 471 a-Alanine, conf. II
220668.9030 55.1742 -4.8610 3 452.6072447 89503 30374 570 74 371 a-Alanine, conf. II
220673.2250 0.3698 -4.7122 3 127.4309213 89503 303351422 341321 a-Alanine, conf. II
220685.8118 0.3147 -4.6311 3 141.5711225 89503 303371424 361323 a-Alanine, conf. II
220686.6798 6.8792 -5.1342 3 404.1095363 89503 303603030 602833 a-Alanine, conf. II
220838.8588 0.1756 -3.0701 3 148.8181231 89503 303381325 371324 a-Alanine, conf. II
220845.3439 29.5595 -4.9904 3 783.1890549 89503 303911774 911775 a-Alanine, conf. II
220845.3439 29.5595 -4.9904 3 783.1890549 89503 303911874 911675 a-Alanine, conf. II
220886.3735 0.8705 -3.4408 3 199.8158237 89503 303392910 3829 9 a-Alanine, conf. II
220886.3735 0.8705 -3.4408 3 199.8158237 89503 303392911 382910 a-Alanine, conf. II
220960.3373 4.0506 -5.2190 3 261.8568285 89503 303472820 472621 a-Alanine, conf. II
220960.3557 4.0506 -5.2190 3 261.8568285 89503 303472819 472622 a-Alanine, conf. II
220962.2777 0.4303 -3.1226 3 156.8644231 89503 303381821 371820 a-Alanine, conf. II
220978.5413 0.1675 -4.3744 3 74.2209165 89503 303271116 26 917 a-Alanine, conf. II
221017.7698 49.0388 -4.8069 3 620.1126501 89503 303831172 831173 a-Alanine, conf. II
221017.7698 49.0388 -4.8069 3 620.1126501 89503 303831272 831073 a-Alanine, conf. II
221106.1318 41.5248 -4.8839 3 699.8091525 89503 303871473 871474 a-Alanine, conf. II
221106.1318 41.5248 -4.8839 3 699.8091525 89503 303871573 871374 a-Alanine, conf. II
221126.6580 3.2996 -2.9671 3 173.3877285 89503 30347 146 46 145 a-Alanine, conf. II
221126.6580 3.2996 -4.0756 3 173.3877285 89503 30347 146 46 245 a-Alanine, conf. II
221126.6580 3.2996 -4.0756 3 173.3877285 89503 30347 246 46 145 a-Alanine, conf. II
221126.6580 3.2996 -2.9671 3 173.3877285 89503 30347 246 46 245 a-Alanine, conf. II
221138.8126 0.8142 -3.3964 3 195.7711237 89503 303392811 382810 a-Alanine, conf. II
221138.8126 0.8142 -3.3964 3 195.7711237 89503 303392812 382811 a-Alanine, conf. II
221188.4928 0.4665 -3.1217 3 156.8698231 89503 303381820 371819 a-Alanine, conf. II
221198.8110 0.2805 -4.4069 3 158.9737243 89503 303401129 391228 a-Alanine, conf. II
221203.3229 0.2807 -3.0609 3 158.9737243 89503 303401229 391228 a-Alanine, conf. II
221209.8192 0.2809 -3.0609 3 158.9733243 89503 303401129 391128 a-Alanine, conf. II
221214.3311 0.2811 -4.4069 3 158.9733243 89503 303401229 391128 a-Alanine, conf. II
221268.4631 0.2196 -4.6215 3 95.2514183 89503 303301417 291316 a-Alanine, conf. II
221398.8531 4.8067 -5.1387 3 333.9346327 89503 303542926 542727 a-Alanine, conf. II
221401.2679 4.8036 -5.1387 3 333.9345327 89503 303542925 542728 a-Alanine, conf. II
221412.8664 56.1463 -4.9377 3 433.5257441 89503 30373 370 73 371 a-Alanine, conf. II
221412.8664 56.1463 -4.9377 3 433.5257441 89503 30373 470 73 271 a-Alanine, conf. II
221422.5939 0.7612 -3.3559 3 191.8798237 89503 303392712 382711 a-Alanine, conf. II
221422.5939 0.7612 -3.3559 3 191.8798237 89503 303392713 382712 a-Alanine, conf. II
221426.1514 15.1202 -5.2151 3 524.9001417 89503 303693237 693040 a-Alanine, conf. II
221469.5896 1.3094 -2.9983 3 171.9858273 89503 30345 441 44 440 a-Alanine, conf. II
221469.5896 1.3094 -4.1472 3 171.9858273 89503 30345 441 44 540 a-Alanine, conf. II
221469.5896 1.3094 -4.1472 3 171.9858273 89503 30345 541 44 440 a-Alanine, conf. II
221469.5896 1.3094 -2.9983 3 171.9858273 89503 30345 541 44 540 a-Alanine, conf. II
221470.5800 54.9566 -4.7794 3 523.8709471 89503 30378 771 78 772 a-Alanine, conf. II
221470.5800 54.9566 -4.7794 3 523.8709471 89503 30378 871 78 672 a-Alanine, conf. II
221492.0956 0.2198 -4.3549 3 75.2533165 89503 303271215 261016 a-Alanine, conf. II
221524.3642 0.2059 -4.6464 3 61.7195153 89503 30325 916 24 717 a-Alanine, conf. II
221532.2499 19.6553 -5.0812 3 846.2552567 89503 303941975 941976 a-Alanine, conf. II
221532.2499 19.6553 -5.0812 3 846.2552567 89503 303942075 941876 a-Alanine, conf. II
221695.6921 0.5233 -4.3325 3 82.0224159 89503 3032618 9 2517 8 a-Alanine, conf. II
221695.6938 0.5233 -4.3325 3 82.0224159 89503 3032618 8 2517 9 a-Alanine, conf. II
221743.5429 0.7118 -3.3188 3 188.1436237 89503 303392613 382612 a-Alanine, conf. II
221743.5429 0.7118 -3.3188 3 188.1436237 89503 303392614 382613 a-Alanine, conf. II
221770.9567 0.6261 -4.6949 3 158.2248237 89503 303391425 381524 a-Alanine, conf. II
221779.7090 1.4265 -4.8327 3 167.7495243 89503 303401525 391624 a-Alanine, conf. II
221793.5760 0.2160 -3.0753 3 150.8266231 89503 303381524 371523 a-Alanine, conf. II
221817.0912 0.5008 -3.0267 3 168.7552261 89503 30343 736 42 735 a-Alanine, conf. II
221817.0912 0.5008 -4.2331 3 168.7552261 89503 30343 736 42 835 a-Alanine, conf. II
221817.0912 0.5008 -3.0267 3 168.7552261 89503 30343 836 42 835 a-Alanine, conf. II
221817.0913 0.5008 -4.2331 3 168.7552261 89503 30343 836 42 735 a-Alanine, conf. II
221981.4345 52.0539 -4.7948 3 598.9045495 89503 303821072 821073 a-Alanine, conf. II
221981.4345 52.0539 -4.7948 3 598.9045495 89503 303821172 82 973 a-Alanine, conf. II
222039.2276 0.3487 -4.7294 3 120.5710207 89503 303341421 331320 a-Alanine, conf. II
222039.6432 35.2680 -4.9583 3 760.1356543 89503 303901674 901675 a-Alanine, conf. II
222039.6432 35.2680 -4.9583 3 760.1356543 89503 303901774 901575 a-Alanine, conf. II
222046.2462 7.0633 -5.1819 3 911.3527585 89503 303972176 972177 a-Alanine, conf. II
222046.2462 7.0633 -5.1819 3 911.3527585 89503 303972276 972077 a-Alanine, conf. II
222109.0983 0.6662 -3.2844 3 184.5643237 89503 303392514 382513 a-Alanine, conf. II
222109.0983 0.6662 -3.2844 3 184.5643237 89503 303392515 382514 a-Alanine, conf. II
222115.7576 4.0779 -5.2431 3 252.8658279 89503 303462819 462620 a-Alanine, conf. II
222115.7633 4.0779 -5.2431 3 252.8658279 89503 303462818 462621 a-Alanine, conf. II
222130.2871 56.9120 -5.0662 3 414.6788435 89503 30372 270 72 271 a-Alanine, conf. II
222130.2871 56.9120 -5.0662 3 414.6788435 89503 30372 370 72 171 a-Alanine, conf. II
222146.9646 0.4045 -3.1001 3 154.6839231 89503 303381722 371721 a-Alanine, conf. II
222167.9654 7.1302 -5.0165 3 321.9212333 89503 303552134 542331 a-Alanine, conf. II
222179.5224 45.7627 -4.8601 3 677.6721519 89503 303861373 861374 a-Alanine, conf. II
222179.5224 45.7627 -4.8601 3 677.6721519 89503 303861473 861274 a-Alanine, conf. II
222204.3405 1.1563 -4.1977 3 79.2510141 89503 3032322 1 2221 2 a-Alanine, conf. II
222204.3405 1.1563 -4.1977 3 79.2510141 89503 3032322 2 2221 1 a-Alanine, conf. II
222303.5885 56.7019 -4.7958 3 503.8338465 89503 30377 671 77 672 a-Alanine, conf. II
222303.5885 56.7019 -4.7958 3 503.8338465 89503 30377 771 77 572 a-Alanine, conf. II
222375.2856 0.3391 -4.3474 3 163.6004249 89503 303411031 401130 a-Alanine, conf. II
222375.4185 0.3391 -3.0503 3 163.6004249 89503 303411131 401130 a-Alanine, conf. II
222375.6333 0.3391 -3.0503 3 163.6004249 89503 303411031 401030 a-Alanine, conf. II
222375.7662 0.3391 -4.3474 3 163.6004249 89503 303411131 401030 a-Alanine, conf. II
222526.3144 4.4605 -2.9523 3 175.8959291 89503 30348 048 47 047 a-Alanine, conf. II
222526.3144 4.4605 -4.0498 3 175.8959291 89503 30348 048 47 147 a-Alanine, conf. II
222526.3144 4.4605 -4.0498 3 175.8959291 89503 30348 148 47 047 a-Alanine, conf. II
222526.3144 4.4605 -2.9523 3 175.8959291 89503 30348 148 47 147 a-Alanine, conf. II
222528.9698 0.6250 -3.2525 3 181.1443237 89503 303392416 382415 a-Alanine, conf. II
222528.9700 0.6250 -3.2525 3 181.1443237 89503 303392415 382414 a-Alanine, conf. II
222606.0963 0.2722 -4.5858 3 148.8181231 89503 303381425 371324 a-Alanine, conf. II
222736.2169 0.3254 -3.0826 3 152.6971231 89503 303381623 371622 a-Alanine, conf. II
222812.8501 26.5731 -5.0444 3 822.5128561 89503 303931875 931876 a-Alanine, conf. II
222812.8501 26.5731 -5.0444 3 822.5128561 89503 303931975 931776 a-Alanine, conf. II
222827.2160 0.4124 -4.3754 3 84.6680165 89503 303271711 261610 a-Alanine, conf. II
222827.3874 0.4124 -4.3754 3 84.6680165 89503 303271710 261611 a-Alanine, conf. II
222840.5106 3.6176 -5.0451 3 195.8422261 89503 303431726 421825 a-Alanine, conf. II
222888.3119 1.9068 -2.9840 3 175.0980279 89503 30346 343 45 342 a-Alanine, conf. II
222888.3119 1.9068 -4.1176 3 175.0980279 89503 30346 343 45 442 a-Alanine, conf. II
222888.3119 1.9068 -4.1176 3 175.0980279 89503 30346 443 45 342 a-Alanine, conf. II
222888.3119 1.9068 -2.9840 3 175.0980279 89503 30346 443 45 442 a-Alanine, conf. II
222911.3052 54.7521 -4.7877 3 577.9229489 89503 30381 972 81 973 a-Alanine, conf. II
222911.3052 54.7521 -4.7877 3 577.9229489 89503 303811072 81 873 a-Alanine, conf. II
222918.8848 0.2159 -4.5559 3 156.2434237 89503 303391326 381425 a-Alanine, conf. II
222957.9111 10.2150 -5.1605 3 456.1381387 89503 303643134 642935 a-Alanine, conf. II
223016.1815 0.5888 -3.2228 3 177.8868237 89503 303392317 382316 a-Alanine, conf. II
223016.1849 0.5888 -3.2228 3 177.8868237 89503 303392316 382315 a-Alanine, conf. II
223069.5277 0.4549 -5.0353 3 46.2154123 89503 3032014 6 1912 7 a-Alanine, conf. II
223071.0461 0.4549 -5.0353 3 46.2154123 89503 3032014 7 1912 8 a-Alanine, conf. II
223076.2546 6.4165 -5.1337 3 392.4863357 89503 303593030 592831 a-Alanine, conf. II
223102.2393 6.3648 -5.1336 3 392.4855357 89503 303593029 592832 a-Alanine, conf. II
223107.3054 58.1965 -4.8252 3 484.0279459 89503 30376 571 76 572 a-Alanine, conf. II
223107.3054 58.1965 -4.8252 3 484.0279459 89503 30376 671 76 472 a-Alanine, conf. II
223141.1620 4.6830 -5.1482 3 323.5355321 89503 303532925 532726 a-Alanine, conf. II
223142.0660 4.6819 -5.1482 3 323.5355321 89503 303532924 532727 a-Alanine, conf. II
223174.1945 9.5786 -5.1597 3 456.1310387 89503 303643133 642936 a-Alanine, conf. II
223191.5823 40.5282 -4.9286 3 737.3006537 89503 303891574 891575 a-Alanine, conf. II
223191.5823 40.5282 -4.9286 3 737.3006537 89503 303891674 891475 a-Alanine, conf. II
223215.2078 49.6220 -4.8396 3 655.7576513 89503 303851273 851274 a-Alanine, conf. II
223215.2078 49.6220 -4.8396 3 655.7576513 89503 303851373 851174 a-Alanine, conf. II
223222.4794 0.2183 -3.0517 3 142.9036225 89503 303371423 361422 a-Alanine, conf. II
223223.2137 0.6963 -3.0133 3 172.4872267 89503 30344 638 43 637 a-Alanine, conf. II
223223.2137 0.6963 -4.1970 3 172.4872267 89503 30344 638 43 737 a-Alanine, conf. II
223223.2137 0.6963 -4.1970 3 172.4872267 89503 30344 738 43 637 a-Alanine, conf. II
223223.2137 0.6963 -3.0133 3 172.4872267 89503 30344 738 43 737 a-Alanine, conf. II
223271.6652 0.3173 -4.8179 3 52.5191135 89503 3032213 9 211110 a-Alanine, conf. II
223328.4202 0.1776 -4.7534 3 55.7352147 89503 30324 916 23 717 a-Alanine, conf. II
223418.5423 15.1031 -5.1409 3 886.9276579 89503 303962076 962077 a-Alanine, conf. II
223418.5423 15.1031 -5.1409 3 886.9276579 89503 303962176 961977 a-Alanine, conf. II
223421.3806 0.2394 -4.6567 3 101.2139189 89503 303311418 301317 a-Alanine, conf. II
223425.1608 0.3099 -4.7223 3 113.8932201 89503 303331420 321319 a-Alanine, conf. II
223498.6661 0.3183 -4.8173 3 52.5114135 89503 303221310 211111 a-Alanine, conf. II
223509.2958 0.5738 -3.0945 3 154.7244231 89503 303381721 371720 a-Alanine, conf. II
223512.6089 0.9610 -4.2254 3 80.6417147 89503 3032421 3 2320 4 a-Alanine, conf. II
223512.6089 0.9610 -4.2254 3 80.6417147 89503 3032421 4 2320 3 a-Alanine, conf. II
223588.8108 0.5585 -3.1948 3 174.7955237 89503 303392218 382217 a-Alanine, conf. II
223588.8637 0.5585 -3.1948 3 174.7955237 89503 303392217 382216 a-Alanine, conf. II
223664.6209 0.3929 -4.2978 3 167.9963255 89503 30342 933 411032 a-Alanine, conf. II
223664.6238 0.3929 -3.0386 3 167.9963255 89503 303421033 411032 a-Alanine, conf. II
223664.6289 0.3929 -3.0386 3 167.9963255 89503 30342 933 41 932 a-Alanine, conf. II
223664.6319 0.3929 -4.2978 3 167.9963255 89503 303421033 41 932 a-Alanine, conf. II
223676.7093 0.2380 -4.6361 3 59.8737147 89503 303241213 231014 a-Alanine, conf. II
223771.1695 0.3219 -4.4283 3 87.7134171 89503 303281613 271512 a-Alanine, conf. II
223780.7429 0.3218 -4.4283 3 87.7132171 89503 303281612 271513 a-Alanine, conf. II
223789.0412 0.1996 -3.0631 3 156.2434237 89503 303391426 381425 a-Alanine, conf. II
223808.7366 57.1483 -4.7866 3 557.1689483 89503 30380 872 80 873 a-Alanine, conf. II
223808.7366 57.1483 -4.7866 3 557.1689483 89503 30380 972 80 773 a-Alanine, conf. II
223848.6993 3.0607 -5.2467 3 953.3665597 89503 303992277 992278 a-Alanine, conf. II
223848.6993 3.0607 -5.2467 3 953.3665597 89503 303992377 992178 a-Alanine, conf. II
223882.8228 59.4526 -4.8728 3 464.4544453 89503 30375 471 75 472 a-Alanine, conf. II
223882.8228 59.4526 -4.8728 3 464.4544453 89503 30375 571 75 372 a-Alanine, conf. II
224022.6313 6.8552 -5.2160 3 246.7276291 89503 303482028 472127 a-Alanine, conf. II
224047.8203 32.9970 -5.0097 3 798.9859555 89503 303921775 921776 a-Alanine, conf. II
224047.8203 32.9970 -5.0097 3 798.9859555 89503 303921875 921676 a-Alanine, conf. II
224062.0204 0.5170 -3.0550 3 144.0804225 89503 303371522 361521 a-Alanine, conf. II
224076.1082 0.2704 -4.6943 3 107.4319195 89503 303321419 311318 a-Alanine, conf. II
224181.6472 0.2534 -4.5000 3 91.1982177 89503 303291515 281414 a-Alanine, conf. II
224196.0562 16.3801 -5.2041 3 511.4523411 89503 303683237 683038 a-Alanine, conf. II
224214.7944 53.1199 -4.8228 3 634.0670507 89503 303841173 841174 a-Alanine, conf. II
224214.7944 53.1199 -4.8228 3 634.0670507 89503 303841273 841074 a-Alanine, conf. II
224272.9470 0.5356 -3.1684 3 171.8760237 89503 303392119 382118 a-Alanine, conf. II
224273.6418 0.5358 -3.1684 3 171.8760237 89503 303392118 382117 a-Alanine, conf. II
224301.8653 2.6981 -2.9698 3 178.0236285 89503 30347 245 46 244 a-Alanine, conf. II
224301.8653 2.6981 -4.0899 3 178.0236285 89503 30347 245 46 344 a-Alanine, conf. II
224301.8653 2.6981 -4.0899 3 178.0236285 89503 30347 345 46 244 a-Alanine, conf. II
224301.8653 2.6981 -2.9698 3 178.0236285 89503 30347 345 46 344 a-Alanine, conf. II
224303.0969 45.3589 -4.9015 3 714.6854531 89503 303881474 881475 a-Alanine, conf. II
224303.0969 45.3589 -4.9015 3 714.6854531 89503 303881574 881375 a-Alanine, conf. II
224325.3424 0.1291 -5.0112 3 48.2497141 89503 30323 617 22 418 a-Alanine, conf. II
224406.5252 0.1282 -5.0109 3 48.2498141 89503 30323 717 22 518 a-Alanine, conf. II
224488.8443 0.2512 -4.4991 3 91.1902177 89503 303291514 281415 a-Alanine, conf. II
224631.1720 60.4820 -4.9491 3 445.1143447 89503 30374 371 74 372 a-Alanine, conf. II
224631.1720 60.4820 -4.9491 3 445.1143447 89503 30374 471 74 272 a-Alanine, conf. II
224639.1621 1.0232 -2.9997 3 176.0254273 89503 30345 540 44 539 a-Alanine, conf. II
224639.1621 1.0232 -4.1640 3 176.0254273 89503 30345 540 44 639 a-Alanine, conf. II
224639.1621 1.0232 -4.1640 3 176.0254273 89503 30345 640 44 539 a-Alanine, conf. II
224639.1621 1.0232 -2.9997 3 176.0254273 89503 30345 640 44 639 a-Alanine, conf. II
224662.0922 0.2616 -4.4512 3 161.4363243 89503 303401228 391327 a-Alanine, conf. II
224674.9983 59.2568 -4.7931 3 536.6438477 89503 30379 772 79 773 a-Alanine, conf. II
224674.9983 59.2568 -4.7931 3 536.6438477 89503 30379 872 79 673 a-Alanine, conf. II
224686.1223 0.2107 -3.0590 3 156.1845237 89503 303391326 381325 a-Alanine, conf. II
224710.1659 0.2636 -3.0558 3 161.4363243 89503 303401328 391327 a-Alanine, conf. II
224741.5261 22.8071 -5.1018 3 862.7149573 89503 303951976 951977 a-Alanine, conf. II
224741.5261 22.8071 -5.1018 3 862.7149573 89503 303952076 951877 a-Alanine, conf. II
224747.8767 4.6035 -5.1599 3 313.3438315 89503 303522924 522725 a-Alanine, conf. II
224748.2042 4.6031 -5.1599 3 313.3438315 89503 303522923 522726 a-Alanine, conf. II
224772.0176 0.2654 -3.0556 3 161.4326243 89503 303401228 391227 a-Alanine, conf. II
224804.4005 0.7884 -4.2556 3 82.3852153 89503 3032520 5 2419 6 a-Alanine, conf. II
224804.4005 0.7884 -4.2556 3 82.3852153 89503 3032520 6 2419 5 a-Alanine, conf. II
224820.0913 0.2676 -4.4505 3 161.4326243 89503 303401328 391227 a-Alanine, conf. II
224886.0905 13.7049 -5.2016 3 511.4297411 89503 303683236 683039 a-Alanine, conf. II
225017.8153 0.4603 -4.2547 3 172.1775261 89503 30343 835 42 934 a-Alanine, conf. II
225017.8154 0.4603 -3.0264 3 172.1775261 89503 30343 935 42 934 a-Alanine, conf. II
225017.8155 0.4603 -3.0264 3 172.1775261 89503 30343 835 42 834 a-Alanine, conf. II
225017.8155 0.4603 -4.2547 3 172.1775261 89503 30343 935 42 834 a-Alanine, conf. II
225083.7523 1.6454 -4.4871 3 255.8229243 89503 3034039 1 3939 0 a-Alanine, conf. II
225083.7523 1.6454 -4.4871 3 255.8229243 89503 3034039 2 3939 1 a-Alanine, conf. II
225106.7699 0.5217 -3.1432 3 169.1354237 89503 303392020 382019 a-Alanine, conf. II
225114.4259 0.5236 -3.1432 3 169.1356237 89503 303392019 382018 a-Alanine, conf. II
225179.7784 56.2729 -4.8102 3 612.6014501 89503 303831073 831074 a-Alanine, conf. II
225179.7784 56.2729 -4.8102 3 612.6014501 89503 303831173 83 974 a-Alanine, conf. II
225188.5054 1.5613 -4.1797 3 250.2917243 89503 3034038 2 3938 1 a-Alanine, conf. II
225188.5054 1.5613 -4.1797 3 250.2917243 89503 3034038 3 3938 2 a-Alanine, conf. II
225239.3412 38.9384 -4.9772 3 775.6758549 89503 303911675 911676 a-Alanine, conf. II
225239.3412 38.9384 -4.9772 3 775.6758549 89503 303911775 911576 a-Alanine, conf. II
225265.2831 9.7196 -5.2036 3 928.4744591 89503 303982177 982178 a-Alanine, conf. II
225265.2831 9.7196 -5.2036 3 928.4744591 89503 303982277 982078 a-Alanine, conf. II
225302.3742 1.4797 -3.9975 3 244.9075243 89503 3034037 3 3937 2 a-Alanine, conf. II
225302.3742 1.4797 -3.9975 3 244.9075243 89503 3034037 4 3937 3 a-Alanine, conf. II
225313.5497 5.9886 -5.1351 3 381.0750351 89503 303583029 582830 a-Alanine, conf. II
225324.2208 5.9688 -5.1350 3 381.0746351 89503 303583028 582831 a-Alanine, conf. II
225353.3281 61.2962 -5.0772 3 426.0087441 89503 30373 271 73 272 a-Alanine, conf. II
225353.3281 61.2962 -5.0772 3 426.0087441 89503 30373 371 73 172 a-Alanine, conf. II
225375.9781 49.7788 -4.8773 3 692.2914525 89503 303871374 871375 a-Alanine, conf. II
225375.9781 49.7788 -4.8773 3 692.2914525 89503 303871474 871275 a-Alanine, conf. II
225426.4187 1.4007 -3.8669 3 239.6708243 89503 3034036 4 3936 3 a-Alanine, conf. II
225426.4187 1.4007 -3.8669 3 239.6708243 89503 3034036 5 3936 4 a-Alanine, conf. II
225511.2821 61.0911 -4.8091 3 516.3486471 89503 30378 672 78 673 a-Alanine, conf. II
225511.2821 61.0911 -4.8091 3 516.3486471 89503 30378 772 78 573 a-Alanine, conf. II
225556.2787 0.2570 -4.5438 3 156.1845237 89503 303391426 381325 a-Alanine, conf. II
225561.8655 1.3243 -3.7646 3 234.5819243 89503 3034035 5 3935 4 a-Alanine, conf. II
225561.8655 1.3243 -3.7646 3 234.5819243 89503 3034035 6 3935 5 a-Alanine, conf. II
225707.7071 3.7135 -2.9555 3 180.7636291 89503 30348 147 47 146 a-Alanine, conf. II
225707.7071 3.7135 -4.0636 3 180.7636291 89503 30348 147 47 246 a-Alanine, conf. II
225707.7071 3.7135 -4.0636 3 180.7636291 89503 30348 247 47 146 a-Alanine, conf. II
225707.7071 3.7135 -2.9555 3 180.7636291 89503 30348 247 47 246 a-Alanine, conf. II
225710.1416 1.2506 -3.6804 3 229.6412243 89503 3034034 6 3934 5 a-Alanine, conf. II
225710.1416 1.2506 -3.6804 3 229.6412243 89503 3034034 7 3934 6 a-Alanine, conf. II
225734.8401 0.3319 -4.3811 3 166.3523249 89503 303411130 401229 a-Alanine, conf. II
225736.6580 0.3320 -3.0470 3 166.3523249 89503 303411230 401229 a-Alanine, conf. II
225739.3519 0.3321 -3.0470 3 166.3521249 89503 303411130 401129 a-Alanine, conf. II
225741.1699 0.3322 -4.3811 3 166.3521249 89503 303411230 401129 a-Alanine, conf. II
225872.9185 1.1797 -3.6088 3 224.8494243 89503 3034033 7 3933 6 a-Alanine, conf. II
225872.9185 1.1797 -3.6088 3 224.8494243 89503 3034033 8 3933 7 a-Alanine, conf. II
225897.3395 8.9122 -5.1540 3 443.6994381 89503 303633133 632934 a-Alanine, conf. II
225994.1403 8.6429 -5.1536 3 443.6962381 89503 303633132 632935 a-Alanine, conf. II
226017.6718 30.0027 -5.0646 3 838.7160567 89503 303941876 941877 a-Alanine, conf. II
226017.6718 30.0027 -5.0646 3 838.7160567 89503 303941976 941777 a-Alanine, conf. II
226052.1667 1.1116 -3.5464 3 220.2070243 89503 3034032 8 3932 7 a-Alanine, conf. II
226052.1667 1.1116 -3.5464 3 220.2070243 89503 3034032 9 3932 8 a-Alanine, conf. II
226057.6895 1.5079 -2.9860 3 179.3732279 89503 30346 442 45 441 a-Alanine, conf. II
226057.6895 1.5079 -4.1334 3 179.3732279 89503 30346 442 45 541 a-Alanine, conf. II
226057.6895 1.5079 -4.1334 3 179.3732279 89503 30346 542 45 441 a-Alanine, conf. II
226057.6895 1.5079 -2.9860 3 179.3732279 89503 30346 542 45 541 a-Alanine, conf. II
226062.6335 0.6377 -4.2890 3 84.4886159 89503 3032619 7 2518 8 a-Alanine, conf. II
226062.6335 0.6377 -4.2890 3 84.4886159 89503 3032619 8 2518 7 a-Alanine, conf. II
226102.7334 0.2099 -4.5851 3 63.1846153 89503 303251115 24 916 a-Alanine, conf. II
226111.5567 59.0970 -4.8027 3 591.3622495 89503 30382 973 82 974 a-Alanine, conf. II
226111.5567 59.0970 -4.8027 3 591.3622495 89503 303821073 82 874 a-Alanine, conf. II
226136.9221 0.5167 -3.1190 3 166.5841237 89503 303391921 381920 a-Alanine, conf. II
226206.2819 0.5314 -3.1188 3 166.5856237 89503 303391920 381919 a-Alanine, conf. II
226231.8136 4.5582 -5.1738 3 303.3583309 89503 303512923 512724 a-Alanine, conf. II
226231.9282 4.5581 -5.1738 3 303.3583309 89503 303512922 512725 a-Alanine, conf. II
226250.2277 1.0465 -3.4912 3 215.7146243 89503 3034031 9 3931 8 a-Alanine, conf. II
226250.2277 1.0465 -3.4912 3 215.7146243 89503 303403110 3931 9 a-Alanine, conf. II
226318.7098 62.6646 -4.8379 3 496.2846465 89503 30377 572 77 573 a-Alanine, conf. II
226318.7098 62.6646 -4.8379 3 496.2846465 89503 30377 672 77 473 a-Alanine, conf. II
226346.0022 20.6032 -5.1330 3 355.6186351 89503 303582137 572334 a-Alanine, conf. II
226389.4219 44.4156 -4.9470 3 752.5841543 89503 303901575 901576 a-Alanine, conf. II
226389.4219 44.4156 -4.9470 3 752.5841543 89503 303901675 901476 a-Alanine, conf. II
226406.1038 0.5828 -3.0137 3 176.1542267 89503 30344 737 43 736 a-Alanine, conf. II
226406.1038 0.5828 -4.2165 3 176.1542267 89503 30344 737 43 836 a-Alanine, conf. II
226406.1038 0.5828 -4.2165 3 176.1542267 89503 30344 837 43 736 a-Alanine, conf. II
226406.1038 0.5828 -3.0137 3 176.1542267 89503 30344 837 43 836 a-Alanine, conf. II
226411.8872 53.8063 -4.8564 3 670.1198519 89503 303861274 861275 a-Alanine, conf. II
226411.8872 53.8063 -4.8564 3 670.1198519 89503 303861374 861175 a-Alanine, conf. II
226469.9085 0.9844 -3.4418 3 211.3733243 89503 303403010 3930 9 a-Alanine, conf. II
226469.9085 0.9844 -3.4418 3 211.3733243 89503 303403011 393010 a-Alanine, conf. II
226503.2773 0.1993 -4.6112 3 95.1226183 89503 303301416 291317 a-Alanine, conf. II
226514.6223 1.3501 -4.1632 3 82.3398141 89503 3032323 0 2222 1 a-Alanine, conf. II
226514.6223 1.3501 -4.1632 3 82.3398141 89503 3032323 1 2222 0 a-Alanine, conf. II
226631.2024 18.1900 -5.1623 3 903.7931585 89503 303972077 972078 a-Alanine, conf. II
226631.2024 18.1900 -5.1623 3 903.7931585 89503 303972177 971978 a-Alanine, conf. II
226697.6066 0.2061 -4.2925 3 80.6676171 89503 303281216 271017 a-Alanine, conf. II
226714.6078 0.9255 -3.3969 3 207.1838243 89503 303402911 392910 a-Alanine, conf. II
226714.6078 0.9255 -3.3969 3 207.1838243 89503 303402912 392911 a-Alanine, conf. II
226862.0404 0.6129 -5.2072 3 44.3562117 89503 3031915 4 1813 5 a-Alanine, conf. II
226862.0534 0.6129 -5.2072 3 44.3562117 89503 3031915 5 1813 6 a-Alanine, conf. II
226864.0510 0.2258 -3.0582 3 158.2248237 89503 303391525 381524 a-Alanine, conf. II
226939.1840 0.3936 -4.3255 3 171.0180255 89503 303421032 411131 a-Alanine, conf. II
226939.2342 0.3936 -3.0367 3 171.0180255 89503 303421132 411131 a-Alanine, conf. II
226939.3170 0.3936 -3.0367 3 171.0180255 89503 303421032 411031 a-Alanine, conf. II
226939.3671 0.3937 -4.3255 3 171.0180255 89503 303421132 411031 a-Alanine, conf. II
226988.4889 0.8701 -3.3560 3 203.1475243 89503 303402812 392811 a-Alanine, conf. II
226988.4889 0.8701 -3.3560 3 203.1475243 89503 303402813 392812 a-Alanine, conf. II
227011.4367 61.6074 -4.8012 3 570.3506489 89503 30381 873 81 874 a-Alanine, conf. II
227011.4367 61.6074 -4.8012 3 570.3506489 89503 30381 973 81 774 a-Alanine, conf. II
227098.3390 63.9897 -4.8852 3 476.4527459 89503 30376 472 76 473 a-Alanine, conf. II
227098.3390 63.9897 -4.8852 3 476.4527459 89503 30376 572 76 373 a-Alanine, conf. II
227103.9773 4.9864 -2.9412 3 183.3185297 89503 30349 049 48 048 a-Alanine, conf. II
227103.9773 4.9864 -4.0386 3 183.3185297 89503 30349 049 48 148 a-Alanine, conf. II
227103.9773 4.9864 -4.0386 3 183.3185297 89503 30349 149 48 048 a-Alanine, conf. II
227103.9773 4.9864 -2.9412 3 183.3185297 89503 30349 149 48 148 a-Alanine, conf. II
227205.9030 0.1787 -3.0441 3 150.3495231 89503 303381424 371423 a-Alanine, conf. II
227249.2475 36.6833 -5.0295 3 814.9326561 89503 303931776 931777 a-Alanine, conf. II
227249.2475 36.6833 -5.0295 3 814.9326561 89503 303931876 931677 a-Alanine, conf. II
227257.3518 0.5084 -4.3273 3 86.9624165 89503 303271810 2617 9 a-Alanine, conf. II
227257.3597 0.5084 -4.3273 3 86.9624165 89503 3032718 9 261710 a-Alanine, conf. II
227296.7211 0.8184 -3.3185 3 199.2657243 89503 303402713 392712 a-Alanine, conf. II
227296.7211 0.8184 -3.3185 3 199.2657243 89503 303402714 392713 a-Alanine, conf. II
227352.8797 0.5088 -3.0958 3 164.2349237 89503 303391822 381821 a-Alanine, conf. II
227366.4647 5.6784 -5.1385 3 369.8755345 89503 303573028 572829 a-Alanine, conf. II
227370.7147 5.6711 -5.1385 3 369.8753345 89503 303573027 572830 a-Alanine, conf. II
227412.3701 57.4592 -4.8391 3 648.1719513 89503 303851174 851175 a-Alanine, conf. II
227412.3701 57.4592 -4.8391 3 648.1719513 89503 303851274 851075 a-Alanine, conf. II
227426.6052 13.4351 -5.0707 3 346.3004345 89503 303572235 562432 a-Alanine, conf. II
227473.9565 2.1745 -2.9723 3 182.5328285 89503 30347 344 46 343 a-Alanine, conf. II
227473.9565 2.1745 -4.1049 3 182.5328285 89503 30347 344 46 443 a-Alanine, conf. II
227473.9565 2.1745 -4.1049 3 182.5328285 89503 30347 444 46 343 a-Alanine, conf. II
227473.9565 2.1745 -2.9723 3 182.5328285 89503 30347 444 46 443 a-Alanine, conf. II
227499.9187 49.4481 -4.9196 3 729.7121537 89503 303891475 891476 a-Alanine, conf. II
227499.9187 49.4481 -4.9196 3 729.7121537 89503 303891575 891376 a-Alanine, conf. II
227603.8780 4.5399 -5.1901 3 293.5778303 89503 303502922 502723 a-Alanine, conf. II
227603.9168 4.5398 -5.1901 3 293.5778303 89503 303502921 502724 a-Alanine, conf. II
227607.9492 0.3072 -4.7465 3 56.7786141 89503 303231310 221111 a-Alanine, conf. II
227645.8271 0.7706 -3.2837 3 195.5401243 89503 303402614 392613 a-Alanine, conf. II
227645.8271 0.7706 -3.2837 3 195.5401243 89503 303402615 392614 a-Alanine, conf. II
227777.8403 0.7179 -3.0588 3 152.9176231 89503 303381622 371621 a-Alanine, conf. II
227806.9062 13.4834 -5.1914 3 498.1903405 89503 303673236 673037 a-Alanine, conf. II
227812.8641 0.8114 -3.0008 3 179.9331273 89503 30345 639 44 638 a-Alanine, conf. II
227812.8641 0.8114 -4.1819 3 179.9331273 89503 30345 639 44 738 a-Alanine, conf. II
227812.8641 0.8114 -4.1819 3 179.9331273 89503 30345 739 44 638 a-Alanine, conf. II
227812.8641 0.8114 -3.0008 3 179.9331273 89503 30345 739 44 738 a-Alanine, conf. II
227826.9428 1.1330 -4.1895 3 83.5781147 89503 3032422 2 2321 3 a-Alanine, conf. II
227826.9428 1.1330 -4.1895 3 83.5781147 89503 3032422 3 2321 2 a-Alanine, conf. II
227849.4263 0.5942 -3.0938 3 164.2478237 89503 303391821 381820 a-Alanine, conf. II
227851.1688 65.0786 -4.9610 3 456.8541453 89503 30375 372 75 373 a-Alanine, conf. II
227851.1688 65.0786 -4.9610 3 456.8541453 89503 30375 472 75 273 a-Alanine, conf. II
227880.6446 63.8188 -4.8072 3 549.5676483 89503 30380 773 80 774 a-Alanine, conf. II
227880.6446 63.8188 -4.8072 3 549.5676483 89503 30380 873 80 674 a-Alanine, conf. II
227902.9220 0.2397 -4.5114 3 163.7082243 89503 303401327 391426 a-Alanine, conf. II
227949.0364 26.2076 -5.1228 3 879.3240579 89503 303961977 961978 a-Alanine, conf. II
227949.0364 26.2076 -5.1228 3 879.3240579 89503 303962077 961878 a-Alanine, conf. II
228044.1988 0.7274 -3.2514 3 191.9730243 89503 303402515 392514 a-Alanine, conf. II
228044.1988 0.7274 -3.2514 3 191.9730243 89503 303402516 392515 a-Alanine, conf. II
228132.8245 12.2689 -5.1902 3 498.1796405 89503 303673235 673038 a-Alanine, conf. II
228189.6633 0.4398 -4.9467 3 50.0327129 89503 3032114 7 2012 8 a-Alanine, conf. II
228195.3319 0.4398 -4.9466 3 50.0325129 89503 3032114 8 2012 9 a-Alanine, conf. II
228199.8244 0.3096 -4.7451 3 56.7584141 89503 303231311 221112 a-Alanine, conf. II
228243.3942 0.4521 -4.2786 3 175.4569261 89503 30343 934 421033 a-Alanine, conf. II
228243.3952 0.4521 -3.0255 3 175.4569261 89503 303431034 421033 a-Alanine, conf. II
228243.3971 0.4521 -3.0255 3 175.4569261 89503 30343 934 42 933 a-Alanine, conf. II
228243.3982 0.4521 -4.2786 3 175.4569261 89503 303431034 42 933 a-Alanine, conf. II
228315.7748 0.2427 -3.0495 3 163.7082243 89503 303401427 391426 a-Alanine, conf. II
228332.9726 0.4002 -4.3726 3 89.8220171 89503 303281712 271611 a-Alanine, conf. II
228333.6044 0.4001 -4.3726 3 89.8220171 89503 303281711 271612 a-Alanine, conf. II
228378.8679 60.7544 -4.8262 3 626.4491507 89503 303841074 841075 a-Alanine, conf. II
228378.8679 60.7544 -4.8262 3 626.4491507 89503 303841174 84 975 a-Alanine, conf. II
228435.3923 0.4593 -3.0749 3 162.0939237 89503 303391723 381722 a-Alanine, conf. II
228438.3400 42.8640 -4.9966 3 791.3660555 89503 303921676 921677 a-Alanine, conf. II
228438.3400 42.8640 -4.9966 3 791.3660555 89503 303921776 921577 a-Alanine, conf. II
228472.5224 5.0918 -5.0824 3 215.0384273 89503 303451827 441926 a-Alanine, conf. II
228481.7143 12.6774 -5.2259 3 945.7452597 89503 303992178 992179 a-Alanine, conf. II
228481.7143 12.6774 -5.2259 3 945.7452597 89503 303992278 992079 a-Alanine, conf. II
228502.8937 0.6891 -3.2213 3 188.5671243 89503 303402417 392416 a-Alanine, conf. II
228502.8944 0.6891 -3.2213 3 188.5671243 89503 303402416 392415 a-Alanine, conf. II
228522.6849 0.3414 -3.0611 3 160.1268237 89503 303391624 381623 a-Alanine, conf. II
228550.9943 7.9863 -5.1498 3 431.4790375 89503 303623132 622933 a-Alanine, conf. II
228572.5513 54.0552 -4.8950 3 707.0611531 89503 303881375 881376 a-Alanine, conf. II
228572.5513 54.0552 -4.8950 3 707.0611531 89503 303881475 881276 a-Alanine, conf. II
228578.1449 65.9431 -5.0886 3 437.4898447 89503 30374 272 74 273 a-Alanine, conf. II
228578.1449 65.9431 -5.0886 3 437.4898447 89503 30374 372 74 173 a-Alanine, conf. II
228593.0266 7.8764 -5.1496 3 431.4777375 89503 303623131 622934 a-Alanine, conf. II
228623.3540 0.1960 -4.6468 3 61.7318153 89503 303251016 24 817 a-Alanine, conf. II
228720.3328 65.7453 -4.8228 3 529.0145477 89503 30379 673 79 674 a-Alanine, conf. II
228720.3328 65.7453 -4.8228 3 529.0145477 89503 30379 773 79 574 a-Alanine, conf. II
228773.0785 0.2517 -3.0476 3 163.6792243 89503 303401327 391326 a-Alanine, conf. II
228873.5028 4.5430 -5.2087 3 284.0012297 89503 303492921 492722 a-Alanine, conf. II
228873.5154 4.5429 -5.2087 3 284.0012297 89503 303492920 492723 a-Alanine, conf. II
228877.6136 0.1619 -4.9596 3 86.4315177 89503 303291217 281118 a-Alanine, conf. II
228883.1126 2.4943 -4.9744 3 332.8779339 89503 303562135 552332 a-Alanine, conf. II
228884.6068 3.0505 -2.9585 3 185.5055291 89503 30348 246 47 245 a-Alanine, conf. II
228884.6068 3.0505 -4.0780 3 185.5055291 89503 30348 246 47 345 a-Alanine, conf. II
228884.6068 3.0505 -4.0780 3 185.5055291 89503 30348 346 47 245 a-Alanine, conf. II
228884.6068 3.0505 -2.9585 3 185.5055291 89503 30348 346 47 345 a-Alanine, conf. II
228972.0041 0.4629 -4.6147 3 165.7922243 89503 303401426 391525 a-Alanine, conf. II
229036.9258 0.6568 -3.1930 3 185.3258243 89503 303402318 392317 a-Alanine, conf. II
229036.9373 0.6568 -3.1930 3 185.3258243 89503 303402317 392316 a-Alanine, conf. II
229122.1356 0.2522 -4.5105 3 96.8262183 89503 303301516 291415 a-Alanine, conf. II
229128.8923 0.9395 -4.2178 3 85.1662153 89503 3032521 4 2420 5 a-Alanine, conf. II
229128.8923 0.9395 -4.2178 3 85.1662153 89503 3032521 5 2420 4 a-Alanine, conf. II
229163.1986 0.3134 -4.4297 3 93.0923177 89503 303291614 281513 a-Alanine, conf. II
229185.9312 0.2729 -4.5058 3 163.6792243 89503 303401427 391326 a-Alanine, conf. II
229186.0665 0.3148 -4.4217 3 168.9318249 89503 303411229 401328 a-Alanine, conf. II
229192.2756 0.3130 -4.4296 3 93.0915177 89503 303291613 281514 a-Alanine, conf. II
229206.6345 0.3159 -3.0427 3 168.9318249 89503 303411329 401328 a-Alanine, conf. II
229212.9823 0.1644 -4.8668 3 54.0738147 89503 30324 717 23 518 a-Alanine, conf. II
229221.1460 33.6866 -5.0852 3 855.0689573 89503 303951877 951878 a-Alanine, conf. II
229221.1460 33.6866 -5.0852 3 855.0689573 89503 303951977 951778 a-Alanine, conf. II
229227.8641 1.1848 -2.9877 3 183.5186279 89503 30346 541 45 540 a-Alanine, conf. II
229227.8641 1.1848 -4.1501 3 183.5186279 89503 30346 541 45 640 a-Alanine, conf. II
229227.8641 1.1848 -4.1501 3 183.5186279 89503 30346 641 45 540 a-Alanine, conf. II
229227.8641 1.1848 -2.9877 3 183.5186279 89503 30346 641 45 640 a-Alanine, conf. II
229234.1402 0.3170 -3.0426 3 168.9302249 89503 303411229 401228 a-Alanine, conf. II
229243.7219 0.1827 -4.7858 3 93.5672183 89503 303301317 291218 a-Alanine, conf. II
229254.7082 0.3181 -4.4215 3 168.9302249 89503 303411329 401228 a-Alanine, conf. II
229256.9348 5.4553 -5.1440 3 358.8860339 89503 303563027 562828 a-Alanine, conf. II
229258.5760 5.4527 -5.1440 3 358.8860339 89503 303563026 562829 a-Alanine, conf. II
229312.7279 63.7083 -4.8182 3 604.9524501 89503 30383 974 83 975 a-Alanine, conf. II
229312.7279 63.7083 -4.8182 3 604.9524501 89503 303831074 83 875 a-Alanine, conf. II
229372.9394 0.2421 -4.5800 3 64.5252153 89503 303251214 241015 a-Alanine, conf. II
229420.9076 8.1695 -5.2299 3 268.2188303 89503 303502129 492228 a-Alanine, conf. II
229531.5869 67.4003 -4.8512 3 508.6923471 89503 30378 573 78 574 a-Alanine, conf. II
229531.5869 67.4003 -4.8512 3 508.6923471 89503 30378 673 78 474 a-Alanine, conf. II
229573.8774 0.1614 -4.8658 3 54.0740147 89503 30324 817 23 618 a-Alanine, conf. II
229586.8743 48.5642 -4.9661 3 768.0176549 89503 303911576 911577 a-Alanine, conf. II
229586.8743 48.5642 -4.9661 3 768.0176549 89503 303911676 911477 a-Alanine, conf. II
229603.5064 0.5306 -4.2376 3 179.6833267 89503 30344 836 43 935 a-Alanine, conf. II
229603.5064 0.5306 -3.0137 3 179.6833267 89503 30344 936 43 935 a-Alanine, conf. II
229603.5065 0.5306 -3.0137 3 179.6833267 89503 30344 836 43 835 a-Alanine, conf. II
229603.5065 0.5306 -4.2376 3 179.6833267 89503 30344 936 43 835 a-Alanine, conf. II
229608.9174 58.2560 -4.8737 3 684.6325525 89503 303871275 871276 a-Alanine, conf. II
229608.9174 58.2560 -4.8737 3 684.6325525 89503 303871375 871176 a-Alanine, conf. II
229667.4475 0.6316 -3.1663 3 182.2537243 89503 303402219 392218 a-Alanine, conf. II
229667.6115 0.6317 -3.1663 3 182.2537243 89503 303402218 392217 a-Alanine, conf. II
229813.6008 2.3769 -4.8724 3 185.5611255 89503 303421626 411725 a-Alanine, conf. II
229841.7584 21.5342 -5.1842 3 920.8077591 89503 303982078 982079 a-Alanine, conf. II
229841.7584 21.5342 -5.1842 3 920.8077591 89503 303982178 981979 a-Alanine, conf. II
229893.0184 0.2465 -4.5084 3 96.8063183 89503 303301515 291416 a-Alanine, conf. II
229904.0054 0.1008 -5.1726 3 46.4050141 89503 30323 518 22 319 a-Alanine, conf. II
229909.8083 0.1007 -5.1726 3 46.4050141 89503 30323 618 22 419 a-Alanine, conf. II
230137.3422 10.9978 -5.0191 3 344.1143345 89503 303572136 562333 a-Alanine, conf. II
230215.2123 66.3366 -4.8163 3 583.6831495 89503 30382 874 82 875 a-Alanine, conf. II
230215.2123 66.3366 -4.8163 3 583.6831495 89503 30382 974 82 775 a-Alanine, conf. II
230277.0188 0.3887 -4.3574 3 173.8820255 89503 303421131 411230 a-Alanine, conf. II
230277.7399 0.3887 -3.0341 3 173.8820255 89503 303421231 411230 a-Alanine, conf. II
230278.8367 0.3888 -3.0341 3 173.8820255 89503 303421131 411130 a-Alanine, conf. II
230279.5578 0.3888 -4.3574 3 173.8820255 89503 303421231 411130 a-Alanine, conf. II
230287.2358 4.1674 -2.9448 3 188.2924297 89503 30349 148 48 147 a-Alanine, conf. II
230287.2358 4.1674 -4.0525 3 188.2924297 89503 30349 148 48 247 a-Alanine, conf. II
230287.2358 4.1674 -4.0525 3 188.2924297 89503 30349 248 48 147 a-Alanine, conf. II
230287.2358 4.1674 -2.9448 3 188.2924297 89503 30349 248 48 247 a-Alanine, conf. II
230315.4313 68.7968 -4.8980 3 488.6021465 89503 30377 473 77 474 a-Alanine, conf. II
230315.4313 68.7968 -4.8980 3 488.6021465 89503 30377 573 77 374 a-Alanine, conf. II
230408.2942 0.7688 -4.2487 3 87.1098159 89503 3032620 6 2519 7 a-Alanine, conf. II
230408.2942 0.7688 -4.2487 3 87.1098159 89503 3032620 7 2519 6 a-Alanine, conf. II
230425.3347 0.6152 -3.1410 3 179.3569243 89503 303402120 392119 a-Alanine, conf. II
230427.3075 0.6159 -3.1410 3 179.3570243 89503 303402119 392118 a-Alanine, conf. II
230449.6999 40.6304 -5.0498 3 831.0291567 89503 303941777 941778 a-Alanine, conf. II
230449.6999 40.6304 -5.0498 3 831.0291567 89503 303941877 941678 a-Alanine, conf. II
230610.5052 62.0684 -4.8560 3 662.4275519 89503 303861175 861176 a-Alanine, conf. II
230610.5052 62.0684 -4.8560 3 662.4275519 89503 303861275 861076 a-Alanine, conf. II
230644.4664 1.7296 -2.9746 3 186.9137285 89503 30347 443 46 442 a-Alanine, conf. II
230644.4664 1.7296 -4.1206 3 186.9137285 89503 30347 443 46 542 a-Alanine, conf. II
230644.4664 1.7296 -4.1206 3 186.9137285 89503 30347 543 46 442 a-Alanine, conf. II
230644.4664 1.7296 -2.9746 3 186.9137285 89503 30347 543 46 542 a-Alanine, conf. II
230645.4768 0.4934 -3.0293 3 151.5543231 89503 303381523 371522 a-Alanine, conf. II
230659.4395 0.2049 -3.0387 3 157.9283237 89503 303391425 381424 a-Alanine, conf. II
230689.7565 1.7994 -4.4932 3 269.0057249 89503 3034140 1 4040 0 a-Alanine, conf. II
230689.7565 1.7994 -4.4932 3 269.0057249 89503 3034140 2 4040 1 a-Alanine, conf. II
230696.6317 53.8041 -4.9382 3 744.8889543 89503 303901476 901477 a-Alanine, conf. II
230696.6317 53.8041 -4.9382 3 744.8889543 89503 303901576 901377 a-Alanine, conf. II
230793.9570 1.7115 -4.1854 3 263.3309249 89503 3034139 2 4039 1 a-Alanine, conf. II
230793.9570 1.7115 -4.1854 3 263.3309249 89503 3034139 3 4039 2 a-Alanine, conf. II
230907.0016 1.6263 -4.0028 3 257.8032249 89503 3034138 3 4038 2 a-Alanine, conf. II
230907.0016 1.6263 -4.0028 3 257.8032249 89503 3034138 4 4038 3 a-Alanine, conf. II
230964.1073 0.7808 -3.0644 3 162.1798237 89503 303391722 381721 a-Alanine, conf. II
230969.4301 7.3121 -5.1476 3 419.4742369 89503 303613131 612932 a-Alanine, conf. II
230987.1460 7.2687 -5.1475 3 419.4736369 89503 303613130 612933 a-Alanine, conf. II
230994.4679 0.6761 -3.0016 3 183.7063273 89503 30345 738 44 737 a-Alanine, conf. II
230994.4679 0.6761 -4.2011 3 183.7063273 89503 30345 738 44 837 a-Alanine, conf. II
230994.4679 0.6761 -4.2011 3 183.7063273 89503 30345 838 44 737 a-Alanine, conf. II
230994.4679 0.6761 -3.0016 3 183.7063273 89503 30345 838 44 837 a-Alanine, conf. II
230998.2263 11.5033 -5.1815 3 485.1536399 89503 303663235 663036 a-Alanine, conf. II
231002.2435 5.2981 -5.1516 3 348.1051333 89503 303553026 552827 a-Alanine, conf. II
231002.8578 5.2972 -5.1516 3 348.1051333 89503 303553025 552828 a-Alanine, conf. II
231029.8892 1.5438 -3.8718 3 252.4228249 89503 3034137 4 4037 3 a-Alanine, conf. II
231029.8892 1.5438 -3.8718 3 252.4228249 89503 3034137 5 4037 4 a-Alanine, conf. II
231072.8346 69.9475 -4.9734 3 468.7450459 89503 30376 373 76 374 a-Alanine, conf. II
231072.8346 69.9475 -4.9734 3 468.7450459 89503 30376 473 76 274 a-Alanine, conf. II
231087.5060 68.6543 -4.8219 3 562.6423489 89503 30381 774 81 775 a-Alanine, conf. II
231087.5060 68.6543 -4.8219 3 562.6423489 89503 30381 874 81 675 a-Alanine, conf. II
231147.4771 10.9727 -5.1809 3 485.1487399 89503 303663234 663037 a-Alanine, conf. II
231154.8876 29.8679 -5.1444 3 896.0826585 89503 303971978 971979 a-Alanine, conf. II
231154.8876 29.8679 -5.1444 3 896.0826585 89503 303972078 971879 a-Alanine, conf. II
231163.7712 1.4640 -3.7691 3 247.1902249 89503 3034136 5 4036 4 a-Alanine, conf. II
231163.7712 1.4640 -3.7691 3 247.1902249 89503 3034136 6 4036 5 a-Alanine, conf. II
231195.7679 21.4392 -5.1431 3 371.5814357 89503 303592336 582533 a-Alanine, conf. II
231309.9817 1.3871 -3.6844 3 242.1058249 89503 3034135 6 4035 5 a-Alanine, conf. II
231309.9817 1.3871 -3.6844 3 242.1058249 89503 3034135 7 4035 6 a-Alanine, conf. II
231354.3982 0.6094 -3.1167 3 176.6442243 89503 303402021 392020 a-Alanine, conf. II
231374.2368 0.6148 -3.1166 3 176.6446243 89503 303402020 392019 a-Alanine, conf. II
231426.8690 0.2988 -4.6804 3 61.2599147 89503 303241311 231112 a-Alanine, conf. II
231455.4897 0.1730 -5.1219 3 79.5329171 89503 303281117 271018 a-Alanine, conf. II
231470.0755 1.3131 -3.6124 3 237.1701249 89503 3034134 7 4034 6 a-Alanine, conf. II
231470.0755 1.3131 -3.6124 3 237.1701249 89503 3034134 8 4034 7 a-Alanine, conf. II
231506.2870 0.4538 -4.3053 3 178.5879261 89503 303431033 421132 a-Alanine, conf. II
231506.3057 0.4538 -3.0241 3 178.5879261 89503 303431133 421132 a-Alanine, conf. II
231506.3372 0.4538 -3.0241 3 178.5879261 89503 303431033 421032 a-Alanine, conf. II
231506.3559 0.4538 -4.3053 3 178.5879261 89503 303431133 421032 a-Alanine, conf. II
231578.7037 65.5101 -4.8426 3 640.4473513 89503 303851075 851076 a-Alanine, conf. II
231578.7037 65.5101 -4.8426 3 640.4473513 89503 303851175 85 976 a-Alanine, conf. II
231636.6962 47.0566 -5.0165 3 807.2060561 89503 303931677 931678 a-Alanine, conf. II
231636.6962 47.0566 -5.0165 3 807.2060561 89503 303931777 931578 a-Alanine, conf. II
231644.3861 0.6203 -4.2834 3 89.4174165 89503 3032719 9 2618 8 a-Alanine, conf. II
231644.3864 0.6203 -4.2834 3 89.4174165 89503 3032719 8 2618 9 a-Alanine, conf. II
231645.8766 1.2420 -3.5496 3 232.3837249 89503 3034133 8 4033 7 a-Alanine, conf. II
231645.8766 1.2420 -3.5496 3 232.3837249 89503 3034133 9 4033 8 a-Alanine, conf. II
231680.0692 5.5601 -2.9310 3 190.8939303 89503 30350 050 49 049 a-Alanine, conf. II
231680.0692 5.5601 -4.0283 3 190.8939303 89503 30350 050 49 149 a-Alanine, conf. II
231680.0692 5.5601 -4.0283 3 190.8939303 89503 30350 150 49 049 a-Alanine, conf. II
231680.0692 5.5601 -2.9310 3 190.8939303 89503 30350 150 49 149 a-Alanine, conf. II
231700.7943 0.2461 -3.0436 3 165.7922243 89503 303401526 391525 a-Alanine, conf. II
231769.2649 58.6039 -4.9132 3 721.9811537 89503 303891376 891377 a-Alanine, conf. II
231769.2649 58.6039 -4.9132 3 721.9811537 89503 303891476 891277 a-Alanine, conf. II
231804.7140 70.8643 -5.1005 3 449.1219453 89503 30375 273 75 274 a-Alanine, conf. II
231804.7140 70.8643 -5.1005 3 449.1219453 89503 30375 373 75 174 a-Alanine, conf. II
231839.5403 1.1740 -3.4939 3 227.7473249 89503 3034132 9 4032 8 a-Alanine, conf. II
231839.5403 1.1740 -3.4939 3 227.7473249 89503 303413210 4032 9 a-Alanine, conf. II
231883.4006 1.1756 -4.7173 3 175.5558249 89503 303411526 401625 a-Alanine, conf. II
231930.7239 70.6759 -4.8370 3 541.8312483 89503 30380 674 80 675 a-Alanine, conf. II
231930.7239 70.6759 -4.8370 3 541.8312483 89503 30380 774 80 575 a-Alanine, conf. II
232053.6337 1.1092 -3.4440 3 223.2615249 89503 303413110 4031 9 a-Alanine, conf. II
232053.6337 1.1092 -3.4440 3 223.2615249 89503 303413111 403110 a-Alanine, conf. II
232058.1796 2.4713 -2.9614 3 190.1205291 89503 30348 345 47 344 a-Alanine, conf. II
232058.1796 2.4713 -4.0930 3 190.1205291 89503 30348 345 47 444 a-Alanine, conf. II
232058.1796 2.4713 -4.0930 3 190.1205291 89503 30348 445 47 344 a-Alanine, conf. II
232058.1796 2.4713 -2.9614 3 190.1205291 89503 30348 445 47 444 a-Alanine, conf. II
232138.4763 1.3245 -4.1555 3 86.6629147 89503 3032423 1 2322 2 a-Alanine, conf. II
232138.4763 1.3245 -4.1555 3 86.6629147 89503 3032423 2 2322 1 a-Alanine, conf. II
232179.7578 0.5944 -5.0984 3 47.9611123 89503 3032015 5 1913 6 a-Alanine, conf. II
232179.8244 0.5944 -5.0984 3 47.9611123 89503 3032015 6 1913 7 a-Alanine, conf. II
232291.2438 1.0478 -3.3988 3 218.9275249 89503 303413011 403010 a-Alanine, conf. II
232291.2438 1.0478 -3.3988 3 218.9275249 89503 303413012 403011 a-Alanine, conf. II
232401.5004 0.9418 -2.9892 3 187.5321279 89503 30346 640 45 639 a-Alanine, conf. II
232401.5004 0.9418 -4.1678 3 187.5321279 89503 30346 640 45 739 a-Alanine, conf. II
232401.5004 0.9418 -4.1678 3 187.5321279 89503 30346 740 45 639 a-Alanine, conf. II
232401.5004 0.9418 -2.9892 3 187.5321279 89503 30346 740 45 739 a-Alanine, conf. II
232423.3575 37.6366 -5.1064 3 871.5712579 89503 303961878 961879 a-Alanine, conf. II
232423.3575 37.6366 -5.1064 3 871.5712579 89503 303961978 961779 a-Alanine, conf. II
232493.6835 0.6104 -3.0932 3 174.1272243 89503 303401922 391921 a-Alanine, conf. II
232514.8131 68.5979 -4.8342 3 618.6932507 89503 30384 975 84 976 a-Alanine, conf. II
232514.8131 68.5979 -4.8342 3 618.6932507 89503 303841075 84 876 a-Alanine, conf. II
232556.1215 0.9899 -3.3575 3 214.7462249 89503 303412912 402911 a-Alanine, conf. II
232556.1215 0.9899 -3.3575 3 214.7462249 89503 303412913 402912 a-Alanine, conf. II
232613.0540 0.2880 -4.4742 3 171.3240249 89503 303411328 401427 a-Alanine, conf. II
232616.5409 5.1919 -5.1611 3 337.5314327 89503 303543025 542826 a-Alanine, conf. II
232616.7637 5.1916 -5.1611 3 337.5314327 89503 303543024 542827 a-Alanine, conf. II
232656.1550 0.6475 -3.0926 3 174.1310243 89503 303401921 391920 a-Alanine, conf. II
232745.9169 72.4152 -4.8650 3 521.2509477 89503 30379 574 79 575 a-Alanine, conf. II
232745.9169 72.4152 -4.8650 3 521.2509477 89503 30379 674 79 475 a-Alanine, conf. II
232783.9809 52.9859 -4.9856 3 783.6011555 89503 303921577 921578 a-Alanine, conf. II
232783.9809 52.9859 -4.9856 3 783.6011555 89503 303921677 921478 a-Alanine, conf. II
232800.6021 0.4934 -4.3234 3 92.1007171 89503 303281811 271710 a-Alanine, conf. II
232800.6356 0.4934 -4.3234 3 92.1007171 89503 303281810 271711 a-Alanine, conf. II
232803.0168 0.2936 -3.0371 3 171.3240249 89503 303411428 401427 a-Alanine, conf. II
232806.3112 62.9828 -4.8914 3 699.2955531 89503 303881276 881277 a-Alanine, conf. II
232806.3112 62.9828 -4.8914 3 699.2955531 89503 303881376 881177 a-Alanine, conf. II
232823.1199 0.5179 -4.2608 3 183.0703267 89503 30344 935 431034 a-Alanine, conf. II
232823.1202 0.5179 -3.0133 3 183.0703267 89503 303441035 431034 a-Alanine, conf. II
232823.1209 0.5179 -3.0133 3 183.0703267 89503 30344 935 43 934 a-Alanine, conf. II
232823.1213 0.5179 -4.2608 3 183.0703267 89503 303441035 43 934 a-Alanine, conf. II
232836.6906 0.3032 -4.6776 3 61.2114147 89503 303241312 231113 a-Alanine, conf. II
232852.8816 0.9359 -3.3195 3 210.7190249 89503 303412813 402812 a-Alanine, conf. II
232852.8816 0.9359 -3.3195 3 210.7190249 89503 303412814 402813 a-Alanine, conf. II
233025.9068 0.3000 -3.0362 3 171.3102249 89503 303411328 401327 a-Alanine, conf. II
233050.3302 25.1457 -5.2067 3 937.9715597 89503 303992079 992080 a-Alanine, conf. II
233050.3302 25.1457 -5.2067 3 937.9715597 89503 303992179 991980 a-Alanine, conf. II
233104.0665 0.1929 -4.7451 3 60.1182153 89503 30325 817 24 618 a-Alanine, conf. II
233187.2844 0.8860 -3.2843 3 206.8475249 89503 303412714 402713 a-Alanine, conf. II
233187.2844 0.8860 -3.2843 3 206.8475249 89503 303412715 402714 a-Alanine, conf. II
233187.4538 6.8144 -5.1475 3 407.6826363 89503 303603130 602931 a-Alanine, conf. II
233194.7034 6.7979 -5.1474 3 407.6824363 89503 303603129 602932 a-Alanine, conf. II
233194.7799 0.4252 -4.8659 3 54.0518135 89503 3032214 8 2112 9 a-Alanine, conf. II
233213.9364 0.4253 -4.8658 3 54.0512135 89503 3032214 9 211210 a-Alanine, conf. II
233215.8696 0.3101 -4.4716 3 171.3102249 89503 303411428 401327 a-Alanine, conf. II
233420.0523 71.3477 -4.8319 3 597.1663501 89503 30383 875 83 876 a-Alanine, conf. II
233420.0523 71.3477 -4.8319 3 597.1663501 89503 30383 975 83 776 a-Alanine, conf. II
233446.7553 1.1092 -4.1821 3 88.0973153 89503 3032522 3 2421 4 a-Alanine, conf. II
233446.7553 1.1092 -4.1821 3 88.0973153 89503 3032522 4 2421 3 a-Alanine, conf. II
233465.8543 3.4385 -2.9481 3 193.1403297 89503 30349 247 48 246 a-Alanine, conf. II
233465.8543 3.4385 -4.0670 3 193.1403297 89503 30349 247 48 346 a-Alanine, conf. II
233465.8543 3.4385 -4.0670 3 193.1403297 89503 30349 347 48 246 a-Alanine, conf. II
233465.8543 3.4385 -2.9481 3 193.1403297 89503 30349 347 48 346 a-Alanine, conf. II
233534.0775 73.8858 -4.9113 3 500.9024471 89503 30378 474 78 475 a-Alanine, conf. II
233534.0775 73.8858 -4.9113 3 500.9024471 89503 30378 574 78 375 a-Alanine, conf. II
233566.6466 0.8407 -3.2517 3 203.1336249 89503 303412615 402614 a-Alanine, conf. II
233566.6466 0.8407 -3.2517 3 203.1336249 89503 303412616 402615 a-Alanine, conf. II
233638.5221 0.2566 -4.5271 3 102.6780189 89503 303311517 301416 a-Alanine, conf. II
233649.2431 44.8503 -5.0706 3 847.2752573 89503 303951778 951779 a-Alanine, conf. II
233649.2431 44.8503 -5.0706 3 847.2752573 89503 303951878 951679 a-Alanine, conf. II
233688.7666 6.8226 -5.1165 3 235.1277285 89503 303471928 462027 a-Alanine, conf. II
233690.2630 0.1740 -4.4058 3 79.4583171 89503 303281117 27 918 a-Alanine, conf. II
233704.1530 0.3736 -4.3951 3 176.5773255 89503 303421230 411329 a-Alanine, conf. II
233712.7817 0.3742 -3.0304 3 176.5773255 89503 303421330 411329 a-Alanine, conf. II
233723.9047 0.2124 -4.6453 3 100.9687189 89503 303311417 301318 a-Alanine, conf. II
233724.7209 0.3747 -3.0304 3 176.5766255 89503 303421230 411229 a-Alanine, conf. II
233733.3496 0.3753 -4.3950 3 176.5766255 89503 303421330 411229 a-Alanine, conf. II
233750.1149 0.5924 -3.0709 3 171.8186243 89503 303401823 391822 a-Alanine, conf. II
233807.3290 0.3883 -4.3716 3 95.1777177 89503 303291713 281612 a-Alanine, conf. II
233809.2040 66.9596 -4.8734 3 676.8334525 89503 303871176 871177 a-Alanine, conf. II
233809.2040 66.9596 -4.8734 3 676.8334525 89503 303871276 871077 a-Alanine, conf. II
233809.4960 0.3883 -4.3716 3 95.1776177 89503 303291712 281613 a-Alanine, conf. II
233815.3377 1.3663 -2.9767 3 191.1648285 89503 30347 542 46 541 a-Alanine, conf. II
233815.3377 1.3663 -4.1372 3 191.1648285 89503 30347 542 46 641 a-Alanine, conf. II
233815.3377 1.3663 -4.1372 3 191.1648285 89503 30347 642 46 541 a-Alanine, conf. II
233815.3377 1.3663 -2.9767 3 191.1648285 89503 30347 642 46 641 a-Alanine, conf. II
233866.7351 10.0991 -5.1739 3 472.3375393 89503 303653234 653035 a-Alanine, conf. II
233893.2647 58.4390 -4.9573 3 760.2158549 89503 303911477 911478 a-Alanine, conf. II
233893.2647 58.4390 -4.9573 3 760.2158549 89503 303911577 911378 a-Alanine, conf. II
233933.0808 9.8756 -5.1736 3 472.3353393 89503 303653233 653036 a-Alanine, conf. II
234000.4593 0.8004 -3.2211 3 199.5798249 89503 303412517 402516 a-Alanine, conf. II
234000.4594 0.8004 -3.2211 3 199.5798249 89503 303412516 402515 a-Alanine, conf. II
234025.1368 0.3473 -3.0428 3 167.7495243 89503 303401625 391624 a-Alanine, conf. II
234065.0984 0.2509 -3.0326 3 165.6223243 89503 303401426 391425 a-Alanine, conf. II
234111.7340 5.1256 -5.1728 3 327.1638321 89503 303533024 532825 a-Alanine, conf. II
234111.8122 5.1255 -5.1728 3 327.1638321 89503 303533023 532826 a-Alanine, conf. II
234177.1046 31.9368 -5.2017 3 393.2087369 89503 303612239 602436 a-Alanine, conf. II
234189.0298 0.6098 -4.2218 3 187.3420273 89503 30345 837 44 936 a-Alanine, conf. II
234189.0298 0.6098 -3.0020 3 187.3420273 89503 30345 937 44 936 a-Alanine, conf. II
234189.0299 0.6098 -3.0020 3 187.3420273 89503 30345 837 44 836 a-Alanine, conf. II
234189.0299 0.6098 -4.2218 3 187.3420273 89503 30345 937 44 836 a-Alanine, conf. II
234295.5670 73.7751 -4.8370 3 575.8678495 89503 30382 775 82 776 a-Alanine, conf. II
234295.5670 73.7751 -4.8370 3 575.8678495 89503 30382 875 82 676 a-Alanine, conf. II
234296.1449 75.1004 -4.9863 3 480.7868465 89503 30377 374 77 375 a-Alanine, conf. II
234296.1449 75.1004 -4.9863 3 480.7868465 89503 30377 474 77 275 a-Alanine, conf. II
234359.1758 33.8001 -5.1665 3 912.9903591 89503 303981979 981980 a-Alanine, conf. II
234359.1758 33.8001 -5.1665 3 912.9903591 89503 303982079 981880 a-Alanine, conf. II
234447.6153 0.1868 -4.7421 3 60.1194153 89503 30325 917 24 718 a-Alanine, conf. II
234465.8675 0.2936 -4.6185 3 65.9746153 89503 303251312 241113 a-Alanine, conf. II
234480.8428 0.3064 -4.4337 3 98.6783183 89503 303301615 291514 a-Alanine, conf. II
234501.3615 0.7661 -3.1925 3 196.1891249 89503 303412418 402417 a-Alanine, conf. II
234501.3639 0.7661 -3.1925 3 196.1891249 89503 303412417 402416 a-Alanine, conf. II
234563.6930 0.3053 -4.4334 3 98.6761183 89503 303301614 291515 a-Alanine, conf. II
234581.6219 0.5027 -3.0524 3 169.7137243 89503 303401724 391723 a-Alanine, conf. II
234740.1108 0.9176 -4.2110 3 89.8838159 89503 3032621 5 2520 6 a-Alanine, conf. II
234740.1108 0.9176 -4.2110 3 89.8838159 89503 3032621 6 2520 5 a-Alanine, conf. II
234774.8409 0.7792 -3.0669 3 171.8481243 89503 303401822 391821 a-Alanine, conf. II
234779.2829 70.5522 -4.8596 3 654.5961519 89503 303861076 861077 a-Alanine, conf. II
234779.2829 70.5522 -4.8596 3 654.5961519 89503 303861176 86 977 a-Alanine, conf. II
234825.0396 0.4513 -4.3356 3 181.5633261 89503 303431132 421231 a-Alanine, conf. II
234825.3215 0.4513 -3.0220 3 181.5633261 89503 303431232 421231 a-Alanine, conf. II
234825.7607 0.4513 -3.0220 3 181.5632261 89503 303431132 421131 a-Alanine, conf. II
234826.0427 0.4513 -4.3356 3 181.5632261 89503 303431232 421131 a-Alanine, conf. II
234834.4591 51.5286 -5.0369 3 823.1958567 89503 303941678 941679 a-Alanine, conf. II
234834.4591 51.5286 -5.0369 3 823.1958567 89503 303941778 941579 a-Alanine, conf. II
234865.2127 4.6641 -2.9349 3 195.9740303 89503 30350 149 49 148 a-Alanine, conf. II
234865.2127 4.6641 -4.0423 3 195.9740303 89503 30350 149 49 248 a-Alanine, conf. II
234865.2127 4.6641 -4.0423 3 195.9740303 89503 30350 249 49 148 a-Alanine, conf. II
234865.2127 4.6641 -2.9349 3 195.9740303 89503 30350 249 49 248 a-Alanine, conf. II
234964.4087 0.1976 -4.5351 3 72.8300165 89503 303271017 26 818 a-Alanine, conf. II
234966.1367 63.4368 -4.9319 3 737.0513543 89503 303901377 901378 a-Alanine, conf. II
234966.1367 63.4368 -4.9319 3 737.0513543 89503 303901477 901278 a-Alanine, conf. II
234976.0074 0.3623 -4.5545 3 173.5209249 89503 303411427 401526 a-Alanine, conf. II
235002.4197 0.2169 -4.5601 3 67.9397159 89503 303261116 25 917 a-Alanine, conf. II
235033.0094 76.0715 -5.1130 3 460.9051459 89503 30376 274 76 275 a-Alanine, conf. II
235033.0094 76.0715 -5.1130 3 460.9051459 89503 30376 374 76 175 a-Alanine, conf. II
235086.7461 0.7386 -3.1655 3 192.9656249 89503 303412319 402318 a-Alanine, conf. II
235086.7833 0.7386 -3.1655 3 192.9656249 89503 303412318 402317 a-Alanine, conf. II
235142.4360 75.8949 -4.8517 3 554.7988489 89503 30381 675 81 676 a-Alanine, conf. II
235142.4360 75.8949 -4.8517 3 554.7988489 89503 30381 775 81 576 a-Alanine, conf. II
235187.2777 0.1979 -4.2797 3 86.2211177 89503 303291217 281018 a-Alanine, conf. II
235217.3574 0.2077 -4.6399 3 66.3749159 89503 30326 917 25 718 a-Alanine, conf. II
235229.8791 1.9766 -2.9641 3 194.6071291 89503 30348 444 47 443 a-Alanine, conf. II
235229.8791 1.9766 -4.1088 3 194.6071291 89503 30348 444 47 543 a-Alanine, conf. II
235229.8791 1.9766 -4.1088 3 194.6071291 89503 30348 544 47 443 a-Alanine, conf. II
235229.8791 1.9766 -2.9641 3 194.6071291 89503 30348 544 47 543 a-Alanine, conf. II
235230.4543 6.4459 -5.1492 3 396.1023357 89503 303593129 592930 a-Alanine, conf. II
235233.3346 6.4397 -5.1492 3 396.1022357 89503 303593128 592931 a-Alanine, conf. II
235449.3980 0.2442 -4.5225 3 102.6321189 89503 303311516 301417 a-Alanine, conf. II
235497.4667 0.1376 -4.9987 3 52.2629147 89503 30324 618 23 419 a-Alanine, conf. II
235498.0394 5.0910 -5.1867 3 317.0010315 89503 303523023 522824 a-Alanine, conf. II
235498.0660 5.0909 -5.1867 3 317.0009315 89503 303523022 522825 a-Alanine, conf. II
235530.3623 0.1371 -4.9986 3 52.2629147 89503 30324 718 23 519 a-Alanine, conf. II
235553.3098 0.8213 -3.0266 3 160.5155237 89503 303391623 381622 a-Alanine, conf. II
235582.0788 0.7819 -2.9904 3 191.4115279 89503 30346 739 45 738 a-Alanine, conf. II
235582.0788 0.7819 -4.1867 3 191.4115279 89503 30346 739 45 838 a-Alanine, conf. II
235582.0788 0.7819 -4.1867 3 191.4115279 89503 30346 839 45 738 a-Alanine, conf. II
235582.0788 0.7819 -2.9904 3 191.4115279 89503 30346 839 45 838 a-Alanine, conf. II
235624.3816 41.8651 -5.1282 3 888.2230585 89503 303971879 971880 a-Alanine, conf. II
235624.3816 41.8651 -5.1282 3 888.2230585 89503 303971979 971780 a-Alanine, conf. II
235717.8030 73.7778 -4.8508 3 632.5846513 89503 30385 976 85 977 a-Alanine, conf. II
235717.8030 73.7778 -4.8508 3 632.5846513 89503 303851076 85 877 a-Alanine, conf. II
235752.5338 0.5703 -4.6196 3 157.9283237 89503 303391525 381424 a-Alanine, conf. II
235781.4872 0.7197 -3.1399 3 189.9145249 89503 303412220 402219 a-Alanine, conf. II
235781.9724 0.7199 -3.1399 3 189.9146249 89503 303412219 402218 a-Alanine, conf. II
235832.8247 0.2470 -4.5333 3 69.3578159 89503 303261215 251016 a-Alanine, conf. II
235961.6772 77.7215 -4.8792 3 533.9604483 89503 30380 575 80 576 a-Alanine, conf. II
235961.6772 77.7215 -4.8792 3 533.9604483 89503 30380 675 80 476 a-Alanine, conf. II
235980.7771 57.6930 -5.0056 3 799.3346561 89503 303931578 931579 a-Alanine, conf. II
235980.7771 57.6930 -5.0056 3 799.3346561 89503 303931678 931479 a-Alanine, conf. II
236003.7803 0.7489 -4.2429 3 92.0292165 89503 3032720 7 2619 8 a-Alanine, conf. II
236003.7803 0.7489 -4.2429 3 92.0292165 89503 3032720 8 2619 7 a-Alanine, conf. II
236004.0769 67.9991 -4.9097 3 714.1088537 89503 303891277 891278 a-Alanine, conf. II
236004.0769 67.9991 -4.9097 3 714.1088537 89503 303891377 891178 a-Alanine, conf. II
236075.9308 0.5200 -4.2865 3 186.3101267 89503 303441034 431133 a-Alanine, conf. II
236075.9377 0.5200 -3.0124 3 186.3101267 89503 303441134 431133 a-Alanine, conf. II
236075.9495 0.5200 -3.0124 3 186.3101267 89503 303441034 431033 a-Alanine, conf. II
236075.9564 0.5200 -4.2865 3 186.3101267 89503 303441134 431033 a-Alanine, conf. II
236094.3858 0.6264 -4.6579 3 150.3495231 89503 303381524 371423 a-Alanine, conf. II
236128.8890 0.4015 -3.0133 3 159.2478237 89503 303391524 381523 a-Alanine, conf. II
236254.5607 6.1846 -2.9216 3 198.6219309 89503 30351 051 50 050 a-Alanine, conf. II
236254.5607 6.1846 -4.0188 3 198.6219309 89503 30351 051 50 150 a-Alanine, conf. II
236254.5607 6.1846 -4.0188 3 198.6219309 89503 30351 151 50 050 a-Alanine, conf. II
236254.5607 6.1846 -2.9216 3 198.6219309 89503 30351 151 50 150 a-Alanine, conf. II
236294.3700 1.9652 -4.5006 3 282.5189255 89503 3034241 1 4141 0 a-Alanine, conf. II
236294.3700 1.9652 -4.5006 3 282.5189255 89503 3034241 2 4141 1 a-Alanine, conf. II
236363.5683 0.2809 -3.0308 3 173.5209249 89503 303411527 401526 a-Alanine, conf. II
236398.0296 1.8735 -4.1923 3 276.7006255 89503 3034240 2 4140 1 a-Alanine, conf. II
236398.0296 1.8735 -4.1923 3 276.7006255 89503 3034240 3 4140 2 a-Alanine, conf. II
236448.4268 1.5365 -4.1231 3 89.8955147 89503 3032424 0 2323 1 a-Alanine, conf. II
236448.4268 1.5365 -4.1231 3 89.8955147 89503 3032424 1 2323 0 a-Alanine, conf. II
236474.6979 9.0731 -5.1683 3 459.7387387 89503 303643233 643034 a-Alanine, conf. II
236490.9379 0.2939 -4.5570 3 70.9346159 89503 303261313 251114 a-Alanine, conf. II
236503.3471 8.9822 -5.1682 3 459.7377387 89503 303643232 643035 a-Alanine, conf. II
236510.2771 1.7847 -4.0094 3 271.0293255 89503 3034239 3 4139 2 a-Alanine, conf. II
236510.2771 1.7847 -4.0094 3 271.0293255 89503 3034239 4 4139 3 a-Alanine, conf. II
236621.9795 0.7114 -3.1155 3 187.0431249 89503 303412121 402120 a-Alanine, conf. II
236625.9423 76.6529 -4.8480 3 610.8002507 89503 30384 876 84 877 a-Alanine, conf. II
236625.9423 76.6529 -4.8480 3 610.8002507 89503 30384 976 84 777 a-Alanine, conf. II
236627.3336 0.7133 -3.1155 3 187.0432249 89503 303412120 402119 a-Alanine, conf. II
236632.0555 1.6986 -3.8779 3 265.5054255 89503 3034238 4 4138 3 a-Alanine, conf. II
236632.0555 1.6986 -3.8779 3 265.5054255 89503 3034238 5 4138 4 a-Alanine, conf. II
236640.9453 2.7994 -2.9514 3 197.8611297 89503 30349 346 48 345 a-Alanine, conf. II
236640.9453 2.7994 -4.0821 3 197.8611297 89503 30349 346 48 445 a-Alanine, conf. II
236640.9453 2.7994 -4.0821 3 197.8611297 89503 30349 446 48 345 a-Alanine, conf. II
236640.9453 2.7994 -2.9514 3 197.8611297 89503 30349 446 48 445 a-Alanine, conf. II
236754.2526 79.2686 -4.9251 3 513.3536477 89503 30379 475 79 476 a-Alanine, conf. II
236754.2526 79.2686 -4.9251 3 513.3536477 89503 30379 575 79 376 a-Alanine, conf. II
236764.4477 1.6155 -3.7747 3 260.1291255 89503 3034237 5 4137 4 a-Alanine, conf. II
236764.4477 1.6155 -3.7747 3 260.1291255 89503 3034237 6 4137 5 a-Alanine, conf. II
236784.3476 5.0815 -5.2028 3 307.0420309 89503 303513022 512823 a-Alanine, conf. II
236784.3564 5.0815 -5.2028 3 307.0420309 89503 303513021 512824 a-Alanine, conf. II
236793.8887 0.4796 -4.5770 3 165.6223243 89503 303401526 391425 a-Alanine, conf. II
236847.9345 49.3555 -5.0919 3 863.6708579 89503 303961779 961780 a-Alanine, conf. II
236847.9345 49.3555 -5.0919 3 863.6708579 89503 303961879 961680 a-Alanine, conf. II
236908.7034 1.5353 -3.6897 3 254.9010255 89503 3034236 6 4136 5 a-Alanine, conf. II
236908.7034 1.5353 -3.6897 3 254.9010255 89503 3034236 7 4136 6 a-Alanine, conf. II
236989.0556 1.0890 -2.9785 3 195.2842285 89503 30347 641 46 640 a-Alanine, conf. II
236989.0556 1.0890 -4.1548 3 195.2842285 89503 30347 641 46 740 a-Alanine, conf. II
236989.0556 1.0890 -4.1548 3 195.2842285 89503 30347 741 46 640 a-Alanine, conf. II
236989.0556 1.0890 -2.9785 3 195.2842285 89503 30347 741 46 740 a-Alanine, conf. II
237008.4667 72.1450 -4.8912 3 691.3898531 89503 303881177 881178 a-Alanine, conf. II
237008.4667 72.1450 -4.8912 3 691.3898531 89503 303881277 881078 a-Alanine, conf. II
237009.1022 3.7106 -4.9175 3 204.2620267 89503 303441727 431826 a-Alanine, conf. II
237050.2555 5.4248 -4.9888 3 357.6138351 89503 303582236 572433 a-Alanine, conf. II
237066.2726 1.4581 -3.6172 3 249.8215255 89503 3034235 7 4135 6 a-Alanine, conf. II
237066.2726 1.4581 -3.6172 3 249.8215255 89503 3034235 8 4135 7 a-Alanine, conf. II
237089.8409 63.3653 -4.9769 3 775.6927555 89503 303921478 921479 a-Alanine, conf. II
237089.8409 63.3653 -4.9769 3 775.6927555 89503 303921578 921379 a-Alanine, conf. II
237117.9750 6.1747 -5.1529 3 384.7317351 89503 303583128 582929 a-Alanine, conf. II
237119.0859 6.1724 -5.1529 3 384.7316351 89503 303583127 582930 a-Alanine, conf. II
237192.7315 0.3475 -4.4420 3 179.0895255 89503 303421329 411428 a-Alanine, conf. II
237212.6282 0.6026 -4.2789 3 94.5429171 89503 303281910 2718 9 a-Alanine, conf. II
237212.6296 0.6026 -4.2789 3 94.5429171 89503 3032819 9 271810 a-Alanine, conf. II
237238.8480 1.3841 -3.5540 3 244.8911255 89503 3034234 8 4134 7 a-Alanine, conf. II
237238.8480 1.3841 -3.5540 3 244.8911255 89503 3034234 9 4134 8 a-Alanine, conf. II
237277.8728 0.3516 -3.0256 3 179.0895255 89503 303421429 411428 a-Alanine, conf. II
237382.6943 0.3556 -3.0251 3 179.0831255 89503 303421329 411328 a-Alanine, conf. II
237403.4754 0.5910 -4.2443 3 190.8364273 89503 30345 936 441035 a-Alanine, conf. II
237403.4755 0.5910 -3.0020 3 190.8364273 89503 303451036 441035 a-Alanine, conf. II
237403.4758 0.5910 -3.0020 3 190.8364273 89503 30345 936 44 935 a-Alanine, conf. II
237403.4759 0.5910 -4.2443 3 190.8364273 89503 303451036 44 935 a-Alanine, conf. II
237421.8265 0.2702 -4.5516 3 108.7649195 89503 303321518 311417 a-Alanine, conf. II
237428.4193 1.3132 -3.4979 3 240.1106255 89503 3034233 9 4133 8 a-Alanine, conf. II
237428.4193 1.3132 -3.4979 3 240.1106255 89503 303423310 4133 9 a-Alanine, conf. II
237431.8008 0.5759 -5.0027 3 51.7635129 89503 3032115 6 2013 7 a-Alanine, conf. II
237432.0984 0.5759 -5.0027 3 51.7635129 89503 3032115 7 2013 8 a-Alanine, conf. II
237467.8356 0.3608 -4.4408 3 179.0831255 89503 303421429 411328 a-Alanine, conf. II
237504.8089 79.1935 -4.8526 3 589.2440501 89503 30383 776 83 777 a-Alanine, conf. II
237504.8089 79.1935 -4.8526 3 589.2440501 89503 30383 876 83 677 a-Alanine, conf. II
237513.2261 0.2997 -4.6144 3 65.8688153 89503 303251313 241114 a-Alanine, conf. II
237521.0733 80.5494 -4.9996 3 492.9796471 89503 30378 375 78 376 a-Alanine, conf. II
237521.0733 80.5494 -4.9996 3 492.9796471 89503 30378 475 78 276 a-Alanine, conf. II
237523.2893 0.6123 -4.6820 3 142.9036225 89503 303371523 361422 a-Alanine, conf. II
237561.9866 38.0165 -5.1891 3 930.0472597 89503 303991980 991981 a-Alanine, conf. II
237561.9866 38.0165 -5.1891 3 930.0472597 89503 303992080 991881 a-Alanine, conf. II
237562.1810 0.2987 -4.4883 3 76.1441165 89503 303271314 261115 a-Alanine, conf. II
237637.3429 1.2458 -3.4476 3 235.4806255 89503 303423210 4132 9 a-Alanine, conf. II
237637.3429 1.2458 -3.4476 3 235.4806255 89503 303423211 413210 a-Alanine, conf. II
237655.6325 0.7146 -3.0919 3 184.3613249 89503 303412022 402021 a-Alanine, conf. II
237704.7137 0.7290 -3.0917 3 184.3624249 89503 303412021 402020 a-Alanine, conf. II
237704.7977 0.2954 -3.0250 3 173.4298249 89503 303411427 401426 a-Alanine, conf. II
237760.4292 1.2984 -4.1484 3 91.1776153 89503 3032523 2 2422 3 a-Alanine, conf. II
237760.4292 1.2984 -4.1484 3 91.1776153 89503 3032523 3 2422 2 a-Alanine, conf. II
237868.4334 1.1818 -3.4019 3 231.0020255 89503 303423111 413110 a-Alanine, conf. II
237868.4334 1.1818 -3.4019 3 231.0020255 89503 303423112 413111 a-Alanine, conf. II
237980.5989 75.8929 -4.8770 3 668.8952525 89503 303871077 871078 a-Alanine, conf. II
237980.5989 75.8929 -4.8770 3 668.8952525 89503 303871177 87 978 a-Alanine, conf. II
238031.6708 56.2924 -5.0578 3 839.3353573 89503 303951679 951680 a-Alanine, conf. II
238031.6708 56.2924 -5.0578 3 839.3353573 89503 303951779 951580 a-Alanine, conf. II
238045.5749 3.8645 -2.9386 3 200.9279303 89503 30350 248 49 247 a-Alanine, conf. II
238045.5749 3.8645 -4.0569 3 200.9279303 89503 30350 248 49 347 a-Alanine, conf. II
238045.5749 3.8645 -4.0569 3 200.9279303 89503 30350 348 49 247 a-Alanine, conf. II
238045.5749 3.8645 -2.9386 3 200.9279303 89503 30350 348 49 347 a-Alanine, conf. II
238052.5782 0.4114 -4.7915 3 58.2753141 89503 3032314 9 221210 a-Alanine, conf. II
238111.7210 0.4115 -4.7913 3 58.2733141 89503 303231410 221211 a-Alanine, conf. II
238125.0861 1.1215 -3.3602 3 226.6759255 89503 303423012 413011 a-Alanine, conf. II
238125.0861 1.1215 -3.3602 3 226.6759255 89503 303423013 413012 a-Alanine, conf. II
238163.1794 68.5667 -4.9511 3 752.2715549 89503 303911378 911379 a-Alanine, conf. II
238163.1794 68.5667 -4.9511 3 752.2715549 89503 303911478 911279 a-Alanine, conf. II
238225.5717 0.4385 -4.3708 3 184.3731261 89503 303431231 421330 a-Alanine, conf. II
238229.1279 0.4387 -3.0190 3 184.3731261 89503 303431331 421330 a-Alanine, conf. II
238234.2004 0.4390 -3.0190 3 184.3728261 89503 303431231 421230 a-Alanine, conf. II
238237.7566 0.4393 -4.3708 3 184.3728261 89503 303431331 421230 a-Alanine, conf. II
238263.0033 81.5768 -5.1258 3 472.8392465 89503 30377 275 77 276 a-Alanine, conf. II
238263.0033 81.5768 -5.1258 3 472.8392465 89503 30377 375 77 176 a-Alanine, conf. II
238284.3908 0.3016 -4.4053 3 81.5919171 89503 303281315 271116 a-Alanine, conf. II
238321.9853 0.4785 -4.3210 3 97.4384177 89503 303291812 281711 a-Alanine, conf. II
238322.1152 0.4785 -4.3210 3 97.4384177 89503 303291811 281712 a-Alanine, conf. II
238355.4470 81.4147 -4.8669 3 567.9172495 89503 30382 676 82 677 a-Alanine, conf. II
238355.4470 81.4147 -4.8669 3 567.9172495 89503 30382 776 82 577 a-Alanine, conf. II
238401.5337 1.5695 -2.9665 3 198.9640291 89503 30348 543 47 542 a-Alanine, conf. II
238401.5337 1.5695 -4.1253 3 198.9640291 89503 30348 543 47 642 a-Alanine, conf. II
238401.5337 1.5695 -4.1253 3 198.9640291 89503 30348 643 47 542 a-Alanine, conf. II
238401.5337 1.5695 -2.9665 3 198.9640291 89503 30348 643 47 642 a-Alanine, conf. II
238411.4429 1.0652 -3.3218 3 222.5034255 89503 303422913 412912 a-Alanine, conf. II
238411.4429 1.0652 -3.3218 3 222.5034255 89503 303422914 412913 a-Alanine, conf. II
238650.9654 8.7408 -5.1469 3 256.1103297 89503 303492029 482128 a-Alanine, conf. II
238732.6240 1.0131 -3.2862 3 218.4861255 89503 303422814 412813 a-Alanine, conf. II
238732.6240 1.0131 -3.2862 3 218.4861255 89503 303422815 412814 a-Alanine, conf. II
238774.2206 0.6990 -2.9912 3 195.1537279 89503 30346 838 45 837 a-Alanine, conf. II
238774.2206 0.6990 -4.2071 3 195.1537279 89503 30346 838 45 937 a-Alanine, conf. II
238774.2206 0.6990 -4.2071 3 195.1537279 89503 30346 938 45 837 a-Alanine, conf. II
238774.2206 0.6990 -2.9912 3 195.1537279 89503 30346 938 45 937 a-Alanine, conf. II
238816.2517 1.0225 -3.0341 3 169.8840243 89503 303401723 391722 a-Alanine, conf. II
238824.2846 46.3847 -5.1504 3 905.0240591 89503 303981880 981881 a-Alanine, conf. II
238824.2846 46.3847 -5.1504 3 905.0240591 89503 303981980 981781 a-Alanine, conf. II
238863.9543 8.3082 -5.1648 3 447.3545381 89503 303633232 633033 a-Alanine, conf. II
238865.7318 5.9784 -5.1586 3 373.5693345 89503 303573127 572928 a-Alanine, conf. II
238866.1475 5.9776 -5.1586 3 373.5693345 89503 303573126 572929 a-Alanine, conf. II
238875.9767 8.2724 -5.1648 3 447.3541381 89503 303633231 633034 a-Alanine, conf. II
238894.6126 0.7174 -3.0691 3 181.8824249 89503 303411923 401922 a-Alanine, conf. II
238921.6854 79.2605 -4.8677 3 646.6265519 89503 30386 977 86 978 a-Alanine, conf. II
238921.6854 79.2605 -4.8677 3 646.6265519 89503 303861077 86 878 a-Alanine, conf. II
239062.8710 1.0848 -4.1756 3 92.8091159 89503 3032622 4 2521 5 a-Alanine, conf. II
239062.8710 1.0848 -4.1756 3 92.8091159 89503 3032622 5 2521 4 a-Alanine, conf. II
239092.3586 0.4119 -4.5362 3 173.4298249 89503 303411527 401426 a-Alanine, conf. II
239095.0579 0.9657 -3.2532 3 214.6257255 89503 303422715 412714 a-Alanine, conf. II
239095.0579 0.9657 -3.2532 3 214.6257255 89503 303422716 412715 a-Alanine, conf. II
239177.2917 62.6984 -5.0261 3 815.2177567 89503 303941579 941580 a-Alanine, conf. II
239177.2917 62.6984 -5.0261 3 815.2177567 89503 303941679 941480 a-Alanine, conf. II
239178.8430 83.3314 -4.8940 3 546.8207489 89503 30381 576 81 577 a-Alanine, conf. II
239178.8430 83.3314 -4.8940 3 546.8207489 89503 30381 676 81 477 a-Alanine, conf. II
239202.2182 73.3175 -4.9285 3 729.0723543 89503 303901278 901279 a-Alanine, conf. II
239202.2182 73.3175 -4.9285 3 729.0723543 89503 303901378 901179 a-Alanine, conf. II
239236.4154 0.3506 -3.0275 3 175.5558249 89503 303411626 401625 a-Alanine, conf. II
239242.9850 0.3773 -4.3724 3 100.7365183 89503 303301714 291613 a-Alanine, conf. II
239249.9362 0.3771 -4.3724 3 100.7363183 89503 303301713 291614 a-Alanine, conf. II
239256.0448 0.8055 -3.0678 3 181.8916249 89503 303411922 401921 a-Alanine, conf. II
239316.2253 0.2043 -4.6349 3 66.3802159 89503 303261017 25 818 a-Alanine, conf. II
239373.1775 0.5388 -4.6838 3 135.6220219 89503 303361522 351421 a-Alanine, conf. II
239378.1231 0.5200 -4.3154 3 189.3962267 89503 303441133 431232 a-Alanine, conf. II
239378.2320 0.5200 -3.0108 3 189.3962267 89503 303441233 431232 a-Alanine, conf. II
239378.4051 0.5200 -3.0108 3 189.3962267 89503 303441133 431132 a-Alanine, conf. II
239378.5139 0.5200 -4.3154 3 189.3962267 89503 303441233 431132 a-Alanine, conf. II
239441.6070 5.2064 -2.9259 3 203.8083309 89503 30351 150 50 149 a-Alanine, conf. II
239441.6070 5.2064 -4.0330 3 203.8083309 89503 30351 150 50 249 a-Alanine, conf. II
239441.6070 5.2064 -4.0330 3 203.8083309 89503 30351 250 50 149 a-Alanine, conf. II
239441.6070 5.2064 -2.9259 3 203.8083309 89503 30351 250 50 249 a-Alanine, conf. II
239506.9694 0.9234 -3.2223 3 210.9245255 89503 303422616 412615 a-Alanine, conf. II
239506.9694 0.9234 -3.2223 3 210.9245255 89503 303422617 412616 a-Alanine, conf. II
239683.5718 0.3022 -4.4408 3 104.4747189 89503 303311616 301515 a-Alanine, conf. II
239773.2215 0.2949 -4.3144 3 87.2534177 89503 303291316 281117 a-Alanine, conf. II
239813.8874 2.2511 -2.9544 3 202.4536297 89503 30349 445 48 444 a-Alanine, conf. II
239813.8874 2.2511 -4.0979 3 202.4536297 89503 30349 445 48 544 a-Alanine, conf. II
239813.8874 2.2511 -4.0979 3 202.4536297 89503 30349 545 48 444 a-Alanine, conf. II
239813.8874 2.2511 -2.9544 3 202.4536297 89503 30349 545 48 544 a-Alanine, conf. II
239832.8652 82.2648 -4.8645 3 624.5846513 89503 30385 877 85 878 a-Alanine, conf. II
239832.8652 82.2648 -4.8645 3 624.5846513 89503 30385 977 85 778 a-Alanine, conf. II
239905.5937 0.2993 -4.4401 3 104.4689189 89503 303311615 301516 a-Alanine, conf. II
239975.9295 84.9576 -4.9394 3 525.9557483 89503 30380 476 80 477 a-Alanine, conf. II
239975.9295 84.9576 -4.9394 3 525.9557483 89503 30380 576 80 377 a-Alanine, conf. II
239979.1260 0.8870 -3.1933 3 207.3852255 89503 303422518 412517 a-Alanine, conf. II
239979.1265 0.8870 -3.1933 3 207.3852255 89503 303422517 412516 a-Alanine, conf. II
240045.8240 54.1587 -5.1137 3 880.2159585 89503 303971780 971781 a-Alanine, conf. II
240045.8240 54.1587 -5.1137 3 880.2159585 89503 303971880 971681 a-Alanine, conf. II
240061.6472 0.2998 -4.5852 3 115.1003201 89503 303331519 321418 a-Alanine, conf. II
240075.4570 20.1240 -5.0685 3 381.0795363 89503 303602238 592435 a-Alanine, conf. II
240082.3745 0.8811 -4.6277 3 183.5358255 89503 303421527 411626 a-Alanine, conf. II
240105.4841 0.6729 -3.0481 3 179.6157249 89503 303411824 401823 a-Alanine, conf. II
240168.8411 0.9016 -2.9801 3 199.2696285 89503 30347 740 46 739 a-Alanine, conf. II
240168.8411 0.9016 -4.1735 3 199.2696285 89503 30347 740 46 839 a-Alanine, conf. II
240168.8411 0.9016 -4.1735 3 199.2696285 89503 30347 840 46 739 a-Alanine, conf. II
240168.8411 0.9016 -2.9801 3 199.2696285 89503 30347 840 46 839 a-Alanine, conf. II
240208.2896 77.6373 -4.9096 3 706.0963537 89503 303891178 891179 a-Alanine, conf. II
240208.2896 77.6373 -4.9096 3 706.0963537 89503 303891278 891079 a-Alanine, conf. II
240236.4343 0.3444 -4.5078 3 181.4051255 89503 303421428 411527 a-Alanine, conf. II
240286.3778 68.5958 -4.9970 3 791.3195561 89503 303931479 931480 a-Alanine, conf. II
240286.3778 68.5958 -4.9970 3 791.3195561 89503 303931579 931380 a-Alanine, conf. II
240345.0504 0.8951 -4.2052 3 94.7954165 89503 3032721 6 2620 7 a-Alanine, conf. II
240345.0504 0.8951 -4.2052 3 94.7954165 89503 3032721 7 2620 6 a-Alanine, conf. II
240486.7791 5.8408 -5.1661 3 362.6139339 89503 303563126 562927 a-Alanine, conf. II
240486.9300 5.8405 -5.1661 3 362.6139339 89503 303563125 562928 a-Alanine, conf. II
240513.3797 0.5285 -3.0327 3 177.5385249 89503 303411725 401724 a-Alanine, conf. II
240525.3293 0.2944 -3.0057 3 167.1242243 89503 303401525 391524 a-Alanine, conf. II
240526.0354 0.8574 -3.1660 3 204.0112255 89503 303422419 412418 a-Alanine, conf. II
240526.0435 0.8574 -3.1660 3 204.0112255 89503 303422418 412417 a-Alanine, conf. II
240635.5635 0.1720 -4.8552 3 58.3481153 89503 30325 718 24 519 a-Alanine, conf. II
240647.5499 0.5928 -4.2692 3 194.1848273 89503 303451035 441134 a-Alanine, conf. II
240647.5524 0.5928 -3.0016 3 194.1848273 89503 303451135 441134 a-Alanine, conf. II
240647.5568 0.5928 -3.0016 3 194.1848273 89503 303451035 441034 a-Alanine, conf. II
240647.5593 0.5928 -4.2692 3 194.1848273 89503 303451135 441034 a-Alanine, conf. II
240715.2104 84.9220 -4.8687 3 602.7708507 89503 30384 777 84 778 a-Alanine, conf. II
240715.2104 84.9220 -4.8687 3 602.7708507 89503 30384 877 84 678 a-Alanine, conf. II
240747.5906 86.3069 -5.0134 3 505.3232477 89503 30379 376 79 377 a-Alanine, conf. II
240747.5906 86.3069 -5.0134 3 505.3232477 89503 30379 476 79 277 a-Alanine, conf. II
240792.6286 0.1705 -4.8548 3 58.3482153 89503 30325 818 24 619 a-Alanine, conf. II
240827.4225 6.8633 -2.9130 3 206.5025315 89503 30352 052 51 051 a-Alanine, conf. II
240827.4225 6.8633 -4.0101 3 206.5025315 89503 30352 052 51 151 a-Alanine, conf. II
240827.4225 6.8633 -4.0101 3 206.5025315 89503 30352 152 51 051 a-Alanine, conf. II
240827.4225 6.8633 -2.9130 3 206.5025315 89503 30352 152 51 151 a-Alanine, conf. II
240840.6495 0.4420 -4.6623 3 128.5411213 89503 303351521 341420 a-Alanine, conf. II
240913.7300 0.3300 -3.0196 3 181.4051255 89503 303421528 411527 a-Alanine, conf. II
240923.6262 0.1126 -5.1605 3 50.3118147 89503 30324 519 23 320 a-Alanine, conf. II
240925.7821 0.1125 -5.1604 3 50.3118147 89503 30324 619 23 420 a-Alanine, conf. II
241064.2072 7.7321 -5.1631 3 435.1830375 89503 303623231 623032 a-Alanine, conf. II
241069.1109 7.7184 -5.1631 3 435.1828375 89503 303623230 623033 a-Alanine, conf. II
241085.8579 0.2484 -4.8556 3 99.3902189 89503 303311318 301219 a-Alanine, conf. II
241149.3438 0.7601 -5.1719 3 49.8651123 89503 3032016 4 1914 5 a-Alanine, conf. II
241149.3459 0.7601 -5.1719 3 49.8651123 89503 3032016 5 1914 6 a-Alanine, conf. II
241167.9534 0.8360 -3.1401 3 200.8073255 89503 303422320 412319 a-Alanine, conf. II
241168.0679 0.8361 -3.1401 3 200.8073255 89503 303422319 412318 a-Alanine, conf. II
241182.6414 81.5451 -4.8949 3 683.3448531 89503 303881078 881079 a-Alanine, conf. II
241182.6414 81.5451 -4.8949 3 683.3448531 89503 303881178 88 979 a-Alanine, conf. II
241208.9326 0.3562 -4.6253 3 121.6936207 89503 303341520 331419 a-Alanine, conf. II
241222.2179 3.1612 -2.9422 3 205.7546303 89503 30350 347 49 346 a-Alanine, conf. II
241222.2179 3.1612 -4.0721 3 205.7546303 89503 30350 347 49 446 a-Alanine, conf. II
241222.2179 3.1612 -4.0721 3 205.7546303 89503 30350 447 49 346 a-Alanine, conf. II
241222.2179 3.1612 -2.9422 3 205.7546303 89503 30350 447 49 446 a-Alanine, conf. II
241228.3668 61.3610 -5.0792 3 855.6243579 89503 303961680 961681 a-Alanine, conf. II
241228.3668 61.3610 -5.0792 3 855.6243579 89503 303961780 961581 a-Alanine, conf. II
241231.0709 2.0640 -4.7502 3 193.7726261 89503 303431627 421726 a-Alanine, conf. II
241322.8534 7.5338 -4.9885 3 369.2073357 89503 303592237 582434 a-Alanine, conf. II
241360.4009 74.0063 -4.9708 3 767.6418555 89503 303921379 921380 a-Alanine, conf. II
241360.4009 74.0063 -4.9708 3 767.6418555 89503 303921479 921280 a-Alanine, conf. II
241387.6821 0.2500 -4.5431 3 108.6665195 89503 303321517 311418 a-Alanine, conf. II
241494.6653 87.3927 -5.1392 3 484.9242471 89503 30378 276 78 277 a-Alanine, conf. II
241494.6653 87.3927 -5.1392 3 484.9242471 89503 30378 376 78 177 a-Alanine, conf. II
241569.7324 87.2479 -4.8825 3 581.1861501 89503 30383 677 83 678 a-Alanine, conf. II
241569.7324 87.2479 -4.8825 3 581.1861501 89503 30383 777 83 578 a-Alanine, conf. II
241575.4667 1.2548 -2.9687 3 203.1893291 89503 30348 642 47 641 a-Alanine, conf. II
241575.4667 1.2548 -4.1427 3 203.1893291 89503 30348 642 47 741 a-Alanine, conf. II
241575.4667 1.2548 -4.1427 3 203.1893291 89503 30348 742 47 641 a-Alanine, conf. II
241575.4667 1.2548 -2.9687 3 203.1893291 89503 30348 742 47 741 a-Alanine, conf. II
241589.1749 0.7285 -4.2382 3 97.1442171 89503 3032820 8 2719 9 a-Alanine, conf. II
241589.1749 0.7285 -4.2382 3 97.1442171 89503 3032820 9 2719 8 a-Alanine, conf. II
241623.9952 0.3445 -3.0167 3 181.3588255 89503 303421428 411427 a-Alanine, conf. II
241717.8836 0.4142 -4.4136 3 187.0042261 89503 303431330 421429 a-Alanine, conf. II
241755.1760 0.4166 -3.0149 3 187.0042261 89503 303431430 421429 a-Alanine, conf. II
241803.0249 0.4190 -3.0147 3 187.0014261 89503 303431330 421329 a-Alanine, conf. II
241840.3173 0.4216 -4.4131 3 187.0014261 89503 303431430 421329 a-Alanine, conf. II
241897.5540 2.1434 -4.5092 3 296.3627261 89503 3034342 1 4242 0 a-Alanine, conf. II
241897.5540 2.1434 -4.5092 3 296.3627261 89503 3034342 2 4242 1 a-Alanine, conf. II
241934.2280 0.8249 -3.1155 3 197.7794255 89503 303422221 412220 a-Alanine, conf. II
241935.6022 0.8255 -3.1155 3 197.7794255 89503 303422220 412219 a-Alanine, conf. II
241984.1856 0.6722 -4.2291 3 198.7554279 89503 30346 937 451036 a-Alanine, conf. II
241984.1856 0.6722 -2.9916 3 198.7554279 89503 303461037 451036 a-Alanine, conf. II
241984.1857 0.6722 -2.9916 3 198.7554279 89503 30346 937 45 936 a-Alanine, conf. II
241984.1857 0.6722 -4.2291 3 198.7554279 89503 303461037 45 936 a-Alanine, conf. II
241992.2146 5.7494 -5.1757 3 351.8644333 89503 303553125 552926 a-Alanine, conf. II
241992.2676 5.7493 -5.1757 3 351.8644333 89503 303553124 552927 a-Alanine, conf. II
242000.6828 2.0480 -4.2005 3 290.4009261 89503 3034341 2 4241 1 a-Alanine, conf. II
242000.6828 2.0480 -4.2005 3 290.4009261 89503 3034341 3 4241 2 a-Alanine, conf. II
242023.1245 51.2085 -5.1731 3 921.9742597 89503 303991881 991882 a-Alanine, conf. II
242023.1245 51.2085 -5.1731 3 921.9742597 89503 303991981 991782 a-Alanine, conf. II
242071.5325 1.5079 -4.1164 3 94.4063153 89503 3032524 1 2423 2 a-Alanine, conf. II
242071.5325 1.5079 -4.1164 3 94.4063153 89503 3032524 2 2423 1 a-Alanine, conf. II
242072.3631 1.0421 -3.0405 3 179.6793249 89503 303411823 401822 a-Alanine, conf. II
242112.1577 1.9555 -4.0171 3 284.5860261 89503 3034340 3 4240 2 a-Alanine, conf. II
242112.1577 1.9555 -4.0171 3 284.5860261 89503 3034340 4 4240 3 a-Alanine, conf. II
242126.4446 85.0589 -4.8852 3 660.8188525 89503 30387 978 87 979 a-Alanine, conf. II
242126.4446 85.0589 -4.8852 3 660.8188525 89503 303871078 87 879 a-Alanine, conf. II
242232.8703 1.8660 -3.8852 3 278.9185261 89503 3034339 4 4239 3 a-Alanine, conf. II
242232.8703 1.8660 -3.8852 3 278.9185261 89503 3034339 5 4239 4 a-Alanine, conf. II
242301.2909 0.3968 -4.4991 3 181.3588255 89503 303421528 411427 a-Alanine, conf. II
242363.8408 1.7795 -3.7816 3 273.3986261 89503 3034338 5 4238 4 a-Alanine, conf. II
242363.8408 1.7795 -3.7816 3 273.3986261 89503 3034338 6 4238 5 a-Alanine, conf. II
242373.5479 68.0150 -5.0471 3 831.2506573 89503 303951580 951581 a-Alanine, conf. II
242373.5479 68.0150 -5.0471 3 831.2506573 89503 303951680 951481 a-Alanine, conf. II
242397.2482 0.2991 -4.5559 3 70.7266159 89503 303261314 251115 a-Alanine, conf. II
242397.3870 89.2575 -4.9092 3 559.8316495 89503 30382 577 82 578 a-Alanine, conf. II
242397.3870 89.2575 -4.9092 3 559.8316495 89503 30382 677 82 478 a-Alanine, conf. II
242400.7349 78.9509 -4.9478 3 744.1859549 89503 303911279 911280 a-Alanine, conf. II
242400.7349 78.9509 -4.9478 3 744.1859549 89503 303911379 911180 a-Alanine, conf. II
242506.2420 1.6960 -3.6962 3 268.0267261 89503 3034337 6 4237 5 a-Alanine, conf. II
242506.2420 1.6960 -3.6962 3 268.0267261 89503 3034337 7 4237 6 a-Alanine, conf. II
242533.6261 0.2742 -4.6953 3 107.0102195 89503 303321418 311319 a-Alanine, conf. II
242606.2015 0.5576 -4.9169 3 55.7649135 89503 3032215 7 2113 8 a-Alanine, conf. II
242607.3911 0.5576 -4.9169 3 55.7648135 89503 3032215 8 2113 9 a-Alanine, conf. II
242623.7356 4.3314 -2.9299 3 208.8682309 89503 30351 249 50 248 a-Alanine, conf. II
242623.7356 4.3314 -4.0477 3 208.8682309 89503 30351 249 50 348 a-Alanine, conf. II
242623.7356 4.3314 -4.0477 3 208.8682309 89503 30351 349 50 248 a-Alanine, conf. II
242623.7356 4.3314 -2.9299 3 208.8682309 89503 30351 349 50 348 a-Alanine, conf. II
242661.4292 1.6157 -3.6232 3 262.8034261 89503 3034336 7 4236 6 a-Alanine, conf. II
242661.4292 1.6157 -3.6232 3 262.8034261 89503 3034336 8 4236 7 a-Alanine, conf. II
242673.9890 0.8190 -3.0001 3 168.3727243 89503 303401624 391623 a-Alanine, conf. II
242710.5501 0.3986 -4.7226 3 62.7064147 89503 303241410 231211 a-Alanine, conf. II
242753.3900 0.5098 -4.3487 3 192.3196267 89503 303441232 431331 a-Alanine, conf. II
242754.8321 0.5099 -3.0084 3 192.3196267 89503 303441332 431331 a-Alanine, conf. II
242756.9462 0.5101 -3.0084 3 192.3195267 89503 303441232 431231 a-Alanine, conf. II
242758.3882 0.5102 -4.3487 3 192.3195267 89503 303441332 431231 a-Alanine, conf. II
242764.8814 0.5847 -4.2758 3 99.8661177 89503 303291911 281810 a-Alanine, conf. II
242764.8877 0.5847 -4.2758 3 99.8661177 89503 303291910 281811 a-Alanine, conf. II
242830.9773 1.5387 -3.5596 3 257.7292261 89503 3034335 8 4235 7 a-Alanine, conf. II
242830.9773 1.5387 -3.5596 3 257.7292261 89503 3034335 9 4235 8 a-Alanine, conf. II
242867.0698 0.8265 -3.0918 3 194.9360255 89503 303422122 412121 a-Alanine, conf. II
242878.3957 0.3990 -4.7222 3 62.7007147 89503 303241411 231212 a-Alanine, conf. II
242880.9711 0.8317 -3.0917 3 194.9362255 89503 303422121 412120 a-Alanine, conf. II
242986.4046 1.7965 -2.9572 3 206.9162297 89503 30349 544 48 543 a-Alanine, conf. II
242986.4046 1.7965 -4.1143 3 206.9162297 89503 30349 544 48 643 a-Alanine, conf. II
242986.4046 1.7965 -4.1143 3 206.9162297 89503 30349 644 48 543 a-Alanine, conf. II
242986.4046 1.7965 -2.9572 3 206.9162297 89503 30349 644 48 643 a-Alanine, conf. II
243016.7284 1.4650 -3.5031 3 252.8046261 89503 3034334 9 4234 8 a-Alanine, conf. II
243016.7284 1.4650 -3.5031 3 252.8046261 89503 303433410 4234 9 a-Alanine, conf. II
243040.8007 88.1962 -4.8815 3 638.5195519 89503 30386 878 86 879 a-Alanine, conf. II
243040.8007 88.1962 -4.8815 3 638.5195519 89503 30386 978 86 779 a-Alanine, conf. II
243097.7566 7.2973 -5.1633 3 423.2222369 89503 303613230 613031 a-Alanine, conf. II
243099.7005 7.2923 -5.1633 3 423.2222369 89503 303613229 613032 a-Alanine, conf. II
243199.0788 90.9655 -4.9541 3 538.7084489 89503 30381 477 81 478 a-Alanine, conf. II
243199.0788 90.9655 -4.9541 3 538.7084489 89503 30381 577 81 378 a-Alanine, conf. II
243220.8521 1.3948 -3.4524 3 248.0303261 89503 303433310 4233 9 a-Alanine, conf. II
243220.8521 1.3948 -3.4524 3 248.0303261 89503 303433311 423310 a-Alanine, conf. II
243227.6230 0.2513 -4.4972 3 74.3629165 89503 303271216 261017 a-Alanine, conf. II
243242.9538 59.2732 -5.1360 3 896.9103591 89503 303981781 981782 a-Alanine, conf. II
243242.9538 59.2732 -5.1360 3 896.9103591 89503 303981881 981682 a-Alanine, conf. II
243337.4604 0.1988 -5.0208 3 92.0152183 89503 303301218 291119 a-Alanine, conf. II
243350.1734 0.2800 -4.2390 3 93.0966183 89503 303301317 291118 a-Alanine, conf. II
243358.9326 0.7995 -2.9813 3 203.1184285 89503 30347 839 46 838 a-Alanine, conf. II
243358.9326 0.7995 -4.1935 3 203.1184285 89503 30347 839 46 938 a-Alanine, conf. II
243358.9326 0.7995 -4.1935 3 203.1184285 89503 30347 939 46 838 a-Alanine, conf. II
243358.9326 0.7995 -2.9813 3 203.1184285 89503 30347 939 46 938 a-Alanine, conf. II
243379.7262 1.2716 -4.1421 3 95.8843159 89503 3032623 3 2522 4 a-Alanine, conf. II
243379.7262 1.2716 -4.1421 3 95.8843159 89503 3032623 4 2522 3 a-Alanine, conf. II
243408.6652 83.4496 -4.9284 3 720.9531543 89503 303901179 901180 a-Alanine, conf. II
243408.6652 83.4496 -4.9284 3 720.9531543 89503 303901279 901080 a-Alanine, conf. II
243418.1063 5.4695 -4.9653 3 223.8526279 89503 303461828 451927 a-Alanine, conf. II
243445.9245 1.3283 -3.4063 3 243.4073261 89503 303433211 423210 a-Alanine, conf. II
243445.9245 1.3283 -3.4063 3 243.4073261 89503 303433212 423211 a-Alanine, conf. II
243482.8879 74.1435 -5.0176 3 807.0960567 89503 303941480 941481 a-Alanine, conf. II
243482.8879 74.1435 -5.0176 3 807.0960567 89503 303941580 941381 a-Alanine, conf. II
243508.8180 13.3083 -5.0308 3 383.2525363 89503 303602337 592534 a-Alanine, conf. II
243523.5997 10.7496 -5.1736 3 277.9865309 89503 303512130 502229 a-Alanine, conf. II
243695.0318 1.2656 -3.3642 3 238.9364261 89503 303433112 423111 a-Alanine, conf. II
243695.0318 1.2656 -3.3642 3 238.9364261 89503 303433113 423112 a-Alanine, conf. II
243817.3985 0.4639 -4.3202 3 102.9767183 89503 303301813 291712 a-Alanine, conf. II
243817.8668 0.4639 -4.3201 3 102.9767183 89503 303301812 291713 a-Alanine, conf. II
243926.7476 90.9737 -4.8853 3 616.4481513 89503 30385 778 85 779 a-Alanine, conf. II
243926.7476 90.9737 -4.8853 3 616.4481513 89503 30385 878 85 679 a-Alanine, conf. II
243935.4117 0.5953 -4.2969 3 197.3810273 89503 303451134 441233 a-Alanine, conf. II
243935.4532 0.5953 -3.0005 3 197.3810273 89503 303451234 441233 a-Alanine, conf. II
243935.5205 0.5953 -3.0005 3 197.3810273 89503 303451134 441133 a-Alanine, conf. II
243935.5620 0.5953 -4.2969 3 197.3810273 89503 303451234 441133 a-Alanine, conf. II
243971.9099 1.2070 -3.3253 3 234.6189261 89503 303433013 423012 a-Alanine, conf. II
243971.9099 1.2070 -3.3253 3 234.6189261 89503 303433014 423013 a-Alanine, conf. II
243975.6658 92.3858 -5.0277 3 517.8175483 89503 30380 377 80 378 a-Alanine, conf. II
243975.6658 92.3858 -5.0277 3 517.8175483 89503 30380 477 80 278 a-Alanine, conf. II
244011.2574 0.8383 -3.0688 3 192.2887255 89503 303422023 412022 a-Alanine, conf. II
244016.3877 5.7976 -2.9176 3 211.7952315 89503 30352 151 51 150 a-Alanine, conf. II
244016.3877 5.7976 -4.0245 3 211.7952315 89503 30352 151 51 250 a-Alanine, conf. II
244016.3877 5.7976 -4.0245 3 211.7952315 89503 30352 251 51 150 a-Alanine, conf. II
244016.3877 5.7976 -2.9176 3 211.7952315 89503 30352 251 51 250 a-Alanine, conf. II
244127.1511 0.8747 -3.0684 3 192.2914255 89503 303422022 412021 a-Alanine, conf. II
244128.8284 0.2826 -3.0025 3 175.1473249 89503 303411526 401525 a-Alanine, conf. II
244184.2874 0.3628 -3.0147 3 183.5358255 89503 303421627 411626 a-Alanine, conf. II
244281.1362 1.1527 -3.2894 3 230.4560261 89503 303432914 422913 a-Alanine, conf. II
244281.1362 1.1527 -3.2894 3 230.4560261 89503 303432915 422914 a-Alanine, conf. II
244385.3968 87.5218 -4.9133 3 697.9445537 89503 303891079 891080 a-Alanine, conf. II
244385.3968 87.5218 -4.9133 3 697.9445537 89503 303891179 89 980 a-Alanine, conf. II
244396.4516 2.5550 -2.9456 3 210.4529303 89503 30350 446 49 445 a-Alanine, conf. II
244396.4516 2.5550 -4.0878 3 210.4529303 89503 30350 446 49 545 a-Alanine, conf. II
244396.4516 2.5550 -4.0878 3 210.4529303 89503 30350 546 49 445 a-Alanine, conf. II
244396.4516 2.5550 -2.9456 3 210.4529303 89503 30350 546 49 545 a-Alanine, conf. II
244424.5761 66.7478 -5.1012 3 872.0628585 89503 303971681 971682 a-Alanine, conf. II
244424.5761 66.7478 -5.1012 3 872.0628585 89503 303971781 971582 a-Alanine, conf. II
244557.8045 79.7689 -4.9910 3 783.1619561 89503 303931380 931381 a-Alanine, conf. II
244557.8045 79.7689 -4.9910 3 783.1619561 89503 303931480 931281 a-Alanine, conf. II
244628.3985 1.1032 -3.2559 3 226.4494261 89503 303432815 422814 a-Alanine, conf. II
244628.3985 1.1032 -3.2559 3 226.4494261 89503 303432816 422815 a-Alanine, conf. II
244629.2146 0.3677 -4.3754 3 106.5003189 89503 303311715 301614 a-Alanine, conf. II
244650.1588 0.3672 -4.3754 3 106.4998189 89503 303311714 301615 a-Alanine, conf. II
244674.2989 1.0599 -4.1699 3 97.7139165 89503 3032722 5 2621 6 a-Alanine, conf. II
244674.2989 1.0599 -4.1699 3 97.7139165 89503 3032722 6 2621 5 a-Alanine, conf. II
244693.4180 0.3024 -4.4518 3 110.4858195 89503 303321617 311516 a-Alanine, conf. II
244727.9629 93.5320 -5.1530 3 497.1599477 89503 30379 277 79 278 a-Alanine, conf. II
244727.9629 93.5320 -5.1530 3 497.1599477 89503 30379 377 79 178 a-Alanine, conf. II
244754.6671 1.0367 -2.9706 3 207.2808291 89503 30348 741 47 740 a-Alanine, conf. II
244754.6671 1.0367 -4.1612 3 207.2808291 89503 30348 741 47 840 a-Alanine, conf. II
244754.6671 1.0367 -4.1612 3 207.2808291 89503 30348 841 47 740 a-Alanine, conf. II
244754.6671 1.0367 -2.9706 3 207.2808291 89503 30348 841 47 840 a-Alanine, conf. II
244775.1333 0.2224 -4.5436 3 72.8517165 89503 303271117 26 918 a-Alanine, conf. II
244785.2649 93.4074 -4.8987 3 594.6057507 89503 30384 678 84 679 a-Alanine, conf. II
244785.2649 93.4074 -4.8987 3 594.6057507 89503 30384 778 84 579 a-Alanine, conf. II
244982.1761 6.9712 -5.1653 3 411.4708363 89503 303603229 603030 a-Alanine, conf. II
244982.9249 6.9694 -5.1653 3 411.4708363 89503 303603228 603031 a-Alanine, conf. II
245020.8842 1.0589 -3.2246 3 222.6011261 89503 303432716 422715 a-Alanine, conf. II
245020.8842 1.0589 -3.2246 3 222.6011261 89503 303432717 422716 a-Alanine, conf. II
245060.3867 0.1983 -4.7338 3 64.6557159 89503 30326 818 25 619 a-Alanine, conf. II
245082.5466 0.3856 -4.4699 3 189.4411261 89503 303431429 421528 a-Alanine, conf. II
245220.6670 0.6727 -4.2532 3 202.2119279 89503 303461036 451135 a-Alanine, conf. II
245220.6679 0.6727 -2.9916 3 202.2119279 89503 303461136 451135 a-Alanine, conf. II
245220.6695 0.6727 -2.9916 3 202.2119279 89503 303461036 451035 a-Alanine, conf. II
245220.6705 0.6727 -4.2532 3 202.2119279 89503 303461136 451035 a-Alanine, conf. II
245253.6419 0.2962 -4.4502 3 110.4713195 89503 303321616 311517 a-Alanine, conf. II
245317.9945 0.8327 -3.0468 3 189.8510255 89503 303421924 411923 a-Alanine, conf. II
245332.0618 91.1861 -4.9032 3 675.1614531 89503 30388 979 88 980 a-Alanine, conf. II
245332.0618 91.1861 -4.9032 3 675.1614531 89503 303881079 88 880 a-Alanine, conf. II
245398.6257 7.5994 -2.9053 3 214.5357321 89503 30353 053 52 052 a-Alanine, conf. II
245398.6257 7.5994 -4.0023 3 214.5357321 89503 30353 053 52 152 a-Alanine, conf. II
245398.6257 7.5994 -4.0023 3 214.5357321 89503 30353 153 52 052 a-Alanine, conf. II
245398.6257 7.5994 -2.9053 3 214.5357321 89503 30353 153 52 152 a-Alanine, conf. II
245402.3678 0.3906 -3.0095 3 189.4411261 89503 303431529 421528 a-Alanine, conf. II
245467.8626 1.0205 -3.1953 3 218.9136261 89503 303432618 422617 a-Alanine, conf. II
245467.8627 1.0205 -3.1953 3 218.9136261 89503 303432617 422616 a-Alanine, conf. II
245569.5632 73.6561 -5.0686 3 847.4330579 89503 303961581 961582 a-Alanine, conf. II
245569.5632 73.6561 -5.0686 3 847.4330579 89503 303961681 961482 a-Alanine, conf. II
245599.6224 84.9126 -4.9675 3 759.4494555 89503 303921280 921281 a-Alanine, conf. II
245599.6224 84.9126 -4.9675 3 759.4494555 89503 303921380 921181 a-Alanine, conf. II
245617.2792 95.5130 -4.9248 3 572.9932501 89503 30383 578 83 579 a-Alanine, conf. II
245617.2792 95.5130 -4.9248 3 572.9932501 89503 30383 678 83 479 a-Alanine, conf. II
245696.6199 0.1956 -4.7323 3 64.6561159 89503 30326 918 25 719 a-Alanine, conf. II
245759.8423 0.4020 -3.0081 3 189.4185261 89503 303431429 421428 a-Alanine, conf. II
245801.9622 3.5592 -2.9338 3 213.8009309 89503 30351 348 50 347 a-Alanine, conf. II
245801.9622 3.5592 -4.0629 3 213.8009309 89503 30351 348 50 447 a-Alanine, conf. II
245801.9622 3.5592 -4.0629 3 213.8009309 89503 30351 448 50 347 a-Alanine, conf. II
245801.9622 3.5592 -2.9338 3 213.8009309 89503 30351 448 50 447 a-Alanine, conf. II
245942.3760 0.8721 -4.2004 3 99.9015171 89503 3032821 7 2720 8 a-Alanine, conf. II
245942.3760 0.8721 -4.2004 3 99.9015171 89503 3032821 8 2720 7 a-Alanine, conf. II
245981.5930 0.9887 -3.1676 3 215.3900261 89503 303432519 422518 a-Alanine, conf. II
245981.5948 0.9887 -3.1676 3 215.3900261 89503 303432518 422517 a-Alanine, conf. II
246078.3392 1.0285 -3.0440 3 189.8723255 89503 303421923 411922 a-Alanine, conf. II
246079.6635 0.4256 -4.4659 3 189.4185261 89503 303431529 421428 a-Alanine, conf. II
246160.6738 1.4407 -2.9597 3 211.2474297 89503 30349 643 48 642 a-Alanine, conf. II
246160.6738 1.4407 -4.1317 3 211.2474297 89503 30349 643 48 742 a-Alanine, conf. II
246160.6738 1.4407 -4.1317 3 211.2474297 89503 30349 743 48 642 a-Alanine, conf. II
246160.6738 1.4407 -2.9597 3 211.2474297 89503 30349 743 48 742 a-Alanine, conf. II
246174.4725 0.5359 -3.0160 3 185.5611255 89503 303421726 411725 a-Alanine, conf. II
246225.6027 0.4875 -4.3882 3 195.0683267 89503 303441331 431430 a-Alanine, conf. II
246241.6055 0.4888 -3.0050 3 195.0683267 89503 303441431 431430 a-Alanine, conf. II
246249.7257 94.4603 -4.8991 3 652.6048525 89503 30387 879 87 880 a-Alanine, conf. II
246249.7257 94.4603 -4.8991 3 652.6048525 89503 30387 979 87 780 a-Alanine, conf. II
246262.8950 0.4902 -3.0049 3 195.0671267 89503 303441331 431330 a-Alanine, conf. II
246278.8979 0.4915 -4.3879 3 195.0671267 89503 303441431 431330 a-Alanine, conf. II
246353.0846 0.7397 -3.0276 3 187.6247255 89503 303421825 411824 a-Alanine, conf. II
246381.1445 1.7388 -4.0859 3 97.7826153 89503 3032525 0 2424 1 a-Alanine, conf. II
246381.1445 1.7388 -4.0859 3 97.7826153 89503 3032525 1 2424 0 a-Alanine, conf. II
246423.6684 97.3054 -4.9693 3 551.6118495 89503 30382 478 82 479 a-Alanine, conf. II
246423.6684 97.3054 -4.9693 3 551.6118495 89503 30382 578 82 379 a-Alanine, conf. II
246439.3596 64.7126 -5.1589 3 913.7539597 89503 303991782 991783 a-Alanine, conf. II
246439.3596 64.7126 -5.1589 3 913.7539597 89503 303991882 991683 a-Alanine, conf. II
246488.7527 0.7384 -5.0657 3 53.6562129 89503 3032116 5 2014 6 a-Alanine, conf. II
246488.7644 0.7384 -5.0657 3 53.6562129 89503 3032116 6 2014 7 a-Alanine, conf. II
246565.0132 0.7624 -2.9821 3 206.8271285 89503 30347 938 46 937 a-Alanine, conf. II
246565.0132 0.7624 -4.2150 3 206.8271285 89503 30347 938 461037 a-Alanine, conf. II
246565.0132 0.7624 -4.2150 3 206.8271285 89503 303471038 46 937 a-Alanine, conf. II
246565.0132 0.7624 -2.9821 3 206.8271285 89503 303471038 461037 a-Alanine, conf. II
246578.8077 0.9650 -3.1415 3 212.0343261 89503 303432420 422419 a-Alanine, conf. II
246578.8337 0.9650 -3.1415 3 212.0343261 89503 303432419 422418 a-Alanine, conf. II
246609.5822 89.5952 -4.9477 3 735.9599549 89503 303911180 911181 a-Alanine, conf. II
246609.5822 89.5952 -4.9477 3 735.9599549 89503 303911280 911081 a-Alanine, conf. II
246614.9313 0.1485 -4.9876 3 56.4295153 89503 30325 619 24 420 a-Alanine, conf. II
246627.9052 0.1483 -4.9876 3 56.4295153 89503 30325 719 24 520 a-Alanine, conf. II
246679.3788 80.0220 -5.0387 3 823.0223573 89503 303951481 951482 a-Alanine, conf. II
246679.3788 80.0220 -5.0387 3 823.0223573 89503 303951581 951382 a-Alanine, conf. II
246731.8467 6.7298 -5.1691 3 399.9273357 89503 303593228 593029 a-Alanine, conf. II
246732.1269 6.7292 -5.1691 3 399.9273357 89503 303593227 593030 a-Alanine, conf. II
246763.9798 0.6449 -4.5611 3 191.6809261 89503 303431528 421627 a-Alanine, conf. II
246793.2102 1.2187 -3.0043 3 177.8500249 89503 303411724 401723 a-Alanine, conf. II
246820.2722 0.2141 -4.3047 3 91.8991183 89503 303301218 291019 a-Alanine, conf. II
246877.3479 0.1814 -5.1454 3 84.8617177 89503 303291118 281019 a-Alanine, conf. II
247078.3442 0.3875 -4.6585 3 67.3498153 89503 303251411 241212 a-Alanine, conf. II
247139.3935 97.3617 -4.9024 3 630.2758519 89503 30386 779 86 780 a-Alanine, conf. II
247139.3935 97.3617 -4.9024 3 630.2758519 89503 30386 879 86 680 a-Alanine, conf. II
247162.6018 0.7078 -4.2345 3 102.4554177 89503 303292010 2819 9 a-Alanine, conf. II
247162.6020 0.7078 -4.2345 3 102.4554177 89503 3032920 9 281910 a-Alanine, conf. II
247200.3039 4.8420 -2.9221 3 216.9613315 89503 30352 250 51 249 a-Alanine, conf. II
247200.3039 4.8420 -4.0393 3 216.9613315 89503 30352 250 51 349 a-Alanine, conf. II
247200.3039 4.8420 -4.0393 3 216.9613315 89503 30352 350 51 249 a-Alanine, conf. II
247200.3039 4.8420 -2.9221 3 216.9613315 89503 30352 350 51 349 a-Alanine, conf. II
247205.2652 98.7990 -5.0425 3 530.4626489 89503 30381 378 81 379 a-Alanine, conf. II
247205.2652 98.7990 -5.0425 3 530.4626489 89503 30381 478 81 279 a-Alanine, conf. II
247283.2213 0.9511 -3.1166 3 208.8518261 89503 303432321 422320 a-Alanine, conf. II
247283.5587 0.9513 -3.1166 3 208.8518261 89503 303432320 422319 a-Alanine, conf. II
247288.0207 0.5880 -4.3284 3 200.4170273 89503 303451233 441332 a-Alanine, conf. II
247288.5968 0.5881 -2.9987 3 200.4170273 89503 303451333 441332 a-Alanine, conf. II
247289.4627 0.5881 -2.9986 3 200.4170273 89503 303451233 441232 a-Alanine, conf. II
247290.0388 0.5882 -4.3284 3 200.4170273 89503 303451333 441232 a-Alanine, conf. II
247435.3893 0.3453 -2.9998 3 183.2906255 89503 303421527 411526 a-Alanine, conf. II
247499.2690 2.3350 -4.5189 3 310.5368267 89503 3034443 1 4343 0 a-Alanine, conf. II
247499.2690 2.3350 -4.5189 3 310.5368267 89503 3034443 2 4343 1 a-Alanine, conf. II
247517.6255 0.3882 -4.6575 3 67.3348153 89503 303251412 241213 a-Alanine, conf. II
247569.9042 2.0491 -2.9487 3 215.0214303 89503 30350 545 49 544 a-Alanine, conf. II
247569.9042 2.0491 -4.1043 3 215.0214303 89503 30350 545 49 644 a-Alanine, conf. II
247569.9042 2.0491 -4.1043 3 215.0214303 89503 30350 645 49 544 a-Alanine, conf. II
247569.9042 2.0491 -2.9487 3 215.0214303 89503 30350 645 49 644 a-Alanine, conf. II
247588.8482 93.8365 -4.9322 3 712.6944543 89503 303901080 901081 a-Alanine, conf. II
247588.8482 93.8365 -4.9322 3 712.6944543 89503 303901180 90 981 a-Alanine, conf. II
247601.8762 2.2358 -4.2098 3 304.4315267 89503 3034442 2 4342 1 a-Alanine, conf. II
247601.8762 2.2358 -4.2098 3 304.4315267 89503 3034442 3 4342 2 a-Alanine, conf. II
247620.3216 72.4663 -5.1236 3 888.6506591 89503 303981682 981683 a-Alanine, conf. II
247620.3216 72.4663 -5.1236 3 888.6506591 89503 303981782 981583 a-Alanine, conf. II
247688.1319 0.5397 -4.8389 3 59.9667141 89503 3032315 8 2213 9 a-Alanine, conf. II
247692.4389 0.5397 -4.8389 3 59.9665141 89503 3032315 9 221310 a-Alanine, conf. II
247692.7832 1.4787 -4.1104 3 99.1085159 89503 3032624 2 2523 3 a-Alanine, conf. II
247692.7832 1.4787 -4.1104 3 99.1085159 89503 3032624 3 2523 2 a-Alanine, conf. II
247710.1270 0.3006 -4.5033 3 75.7785165 89503 303271315 261116 a-Alanine, conf. II
247712.6007 2.1397 -4.0260 3 298.4731267 89503 3034441 3 4341 2 a-Alanine, conf. II
247712.6007 2.1397 -4.0260 3 298.4731267 89503 3034441 4 4341 3 a-Alanine, conf. II
247755.3890 85.8680 -5.0116 3 798.8318567 89503 303941381 941382 a-Alanine, conf. II
247755.3890 85.8680 -5.0116 3 798.8318567 89503 303941481 941282 a-Alanine, conf. II
247832.2869 2.0466 -3.8937 3 292.6620267 89503 3034440 4 4340 3 a-Alanine, conf. II
247832.2869 2.0466 -3.8937 3 292.6620267 89503 3034440 5 4340 4 a-Alanine, conf. II
247943.0355 0.9123 -4.1809 3 211.2360291 89503 30348 840 47 939 a-Alanine, conf. II
247943.0356 0.9123 -2.9722 3 211.2360291 89503 30348 840 47 839 a-Alanine, conf. II
247943.0356 0.9123 -4.1809 3 211.2360291 89503 30348 940 47 839 a-Alanine, conf. II
247943.0356 0.9123 -2.9722 3 211.2360291 89503 30348 940 47 939 a-Alanine, conf. II
247961.8975 1.9567 -3.7897 3 286.9985267 89503 3034439 5 4339 4 a-Alanine, conf. II
247961.8975 1.9567 -3.7897 3 286.9985267 89503 3034439 6 4339 5 a-Alanine, conf. II
247976.4902 0.1836 -4.4332 3 84.8250177 89503 303291118 28 919 a-Alanine, conf. II
248002.0145 99.9066 -4.9153 3 608.1757513 89503 30385 679 85 680 a-Alanine, conf. II
248002.0145 99.9066 -4.9153 3 608.1757513 89503 30385 779 85 580 a-Alanine, conf. II
248097.8608 0.2857 -4.5733 3 114.9063201 89503 303331518 321419 a-Alanine, conf. II
248102.5352 1.8701 -3.7038 3 281.4830267 89503 3034438 6 4338 5 a-Alanine, conf. II
248102.5352 1.8701 -3.7038 3 281.4830267 89503 3034438 7 4338 6 a-Alanine, conf. II
248129.4285 0.9497 -3.0928 3 205.8494261 89503 303432222 422221 a-Alanine, conf. II
248133.1563 0.9514 -3.0928 3 205.8495261 89503 303432221 422220 a-Alanine, conf. II
248211.8666 0.2107 -4.6298 3 71.1789165 89503 30327 918 26 719 a-Alanine, conf. II
248255.4694 1.7867 -3.6305 3 276.1159267 89503 3034437 7 4337 6 a-Alanine, conf. II
248255.4694 1.7867 -3.6305 3 276.1159267 89503 3034437 8 4337 7 a-Alanine, conf. II
248289.9251 23.8446 -5.0957 3 409.7934375 89503 303622438 612635 a-Alanine, conf. II
248298.3152 0.5669 -4.2739 3 105.3880183 89503 303301912 291811 a-Alanine, conf. II
248298.3409 0.5669 -4.2739 3 105.3880183 89503 303301911 291812 a-Alanine, conf. II
248422.1688 1.7067 -3.5664 3 270.8977267 89503 3034436 8 4336 7 a-Alanine, conf. II
248422.1688 1.7067 -3.5664 3 270.8977267 89503 3034436 9 4336 8 a-Alanine, conf. II
248496.1118 0.6775 -4.2799 3 205.5178279 89503 303461135 451234 a-Alanine, conf. II
248496.1274 0.6775 -2.9910 3 205.5178279 89503 303461235 451234 a-Alanine, conf. II
248496.1532 0.6775 -2.9910 3 205.5178279 89503 303461135 451134 a-Alanine, conf. II
248496.1689 0.6775 -4.2799 3 205.5178279 89503 303461235 451134 a-Alanine, conf. II
248538.5150 97.6556 -4.9216 3 689.6542537 89503 30389 980 89 981 a-Alanine, conf. II
248538.5150 97.6556 -4.9216 3 689.6542537 89503 303891080 89 881 a-Alanine, conf. II
248589.5244 6.4406 -2.9102 3 219.9347321 89503 30353 152 52 151 a-Alanine, conf. II
248589.5244 6.4406 -4.0168 3 219.9347321 89503 30353 152 52 251 a-Alanine, conf. II
248589.5244 6.4406 -4.0168 3 219.9347321 89503 30353 252 52 151 a-Alanine, conf. II
248589.5244 6.4406 -2.9102 3 219.9347321 89503 30353 252 52 251 a-Alanine, conf. II
248604.3432 1.6301 -3.5096 3 265.8291267 89503 3034435 9 4335 8 a-Alanine, conf. II
248604.3432 1.6301 -3.5096 3 265.8291267 89503 303443510 4335 9 a-Alanine, conf. II
248757.0958 0.7025 -2.9823 3 176.4674249 89503 303411625 401624 a-Alanine, conf. II
248765.3495 79.6357 -5.0906 3 863.7649585 89503 303971582 971583 a-Alanine, conf. II
248765.3495 79.6357 -5.0906 3 863.7649585 89503 303971682 971483 a-Alanine, conf. II
248798.8720 91.2163 -4.9877 3 774.8629561 89503 303931281 931282 a-Alanine, conf. II
248798.8720 91.2163 -4.9877 3 774.8629561 89503 303931381 931182 a-Alanine, conf. II
248803.9965 1.5573 -3.4584 3 260.9107267 89503 303443410 4334 9 a-Alanine, conf. II
248803.9965 1.5573 -3.4584 3 260.9107267 89503 303443411 433410 a-Alanine, conf. II
248838.4874102.1112 -4.9410 3 586.3053507 89503 30384 579 84 580 a-Alanine, conf. II
248838.4874102.1112 -4.9410 3 586.3053507 89503 30384 679 84 480 a-Alanine, conf. II
248921.7889 0.3931 -3.0039 3 191.6809261 89503 303431628 421627 a-Alanine, conf. II
248967.3450 33.0002 -5.1338 3 419.9348381 89503 303632340 622537 a-Alanine, conf. II
248977.5327 2.8909 -2.9375 3 218.6051309 89503 30351 447 50 446 a-Alanine, conf. II
248977.5327 2.8909 -4.0787 3 218.6051309 89503 30351 447 50 546 a-Alanine, conf. II
248977.5327 2.8909 -4.0787 3 218.6051309 89503 30351 547 50 446 a-Alanine, conf. II
248977.5327 2.8909 -2.9375 3 218.6051309 89503 30351 547 50 546 a-Alanine, conf. II
248995.5457 1.2441 -4.1366 3 100.7833165 89503 3032723 4 2622 5 a-Alanine, conf. II
248995.5457 1.2441 -4.1366 3 100.7833165 89503 3032723 5 2622 4 a-Alanine, conf. II
249023.4942 1.4882 -3.4119 3 256.1433267 89503 303443311 433310 a-Alanine, conf. II
249023.4942 1.4882 -3.4119 3 256.1433267 89503 303443312 433311 a-Alanine, conf. II
249137.0726 7.6604 -5.0129 3 244.3336291 89503 303481929 472028 a-Alanine, conf. II
249164.4534 0.9626 -3.0697 3 203.0371261 89503 303432123 422122 a-Alanine, conf. II
249198.9984 0.9764 -3.0696 3 203.0379261 89503 303432122 422121 a-Alanine, conf. II
249225.2150 0.2014 -4.5366 3 77.9078171 89503 303281018 27 819 a-Alanine, conf. II
249265.6526 1.4230 -3.3694 3 251.5278267 89503 303443212 433211 a-Alanine, conf. II
249265.6526 1.4230 -3.3694 3 251.5278267 89503 303443213 433212 a-Alanine, conf. II
249281.8054 0.4502 -4.3209 3 108.7169189 89503 303311814 301713 a-Alanine, conf. II
249283.3854 0.4501 -4.3209 3 108.7168189 89503 303311813 301714 a-Alanine, conf. II
249339.4759 1.1887 -2.9620 3 215.4449297 89503 30349 742 48 741 a-Alanine, conf. II
249339.4759 1.1887 -4.1500 3 215.4449297 89503 30349 742 48 841 a-Alanine, conf. II
249339.4759 1.1887 -4.1500 3 215.4449297 89503 30349 842 48 741 a-Alanine, conf. II
249339.4759 1.1887 -2.9620 3 215.4449297 89503 30349 842 48 841 a-Alanine, conf. II
249363.6158 0.3093 -4.4678 3 116.7183201 89503 303331618 321517 a-Alanine, conf. II
249459.6140101.0707 -4.9170 3 666.8403531 89503 30388 880 88 881 a-Alanine, conf. II
249459.6140101.0707 -4.9170 3 666.8403531 89503 30388 980 88 781 a-Alanine, conf. II
249533.8567 1.3621 -3.3301 3 247.0652267 89503 303443113 433112 a-Alanine, conf. II
249533.8567 1.3621 -3.3301 3 247.0652267 89503 303443114 433113 a-Alanine, conf. II
249649.6640103.9907 -4.9850 3 564.6658501 89503 30383 479 83 480 a-Alanine, conf. II
249649.6640103.9907 -4.9850 3 564.6658501 89503 30383 579 83 380 a-Alanine, conf. II
249718.5076 0.4542 -4.4380 3 197.6269267 89503 303441430 431529 a-Alanine, conf. II
249729.1414 3.4017 -4.7924 3 212.8758273 89503 303451728 441827 a-Alanine, conf. II
249794.8787 0.7605 -4.2384 3 210.3916285 89503 303471037 461136 a-Alanine, conf. II
249794.8790 0.7605 -2.9825 3 210.3916285 89503 303471137 461136 a-Alanine, conf. II
249794.8796 0.7605 -2.9825 3 210.3916285 89503 303471037 461036 a-Alanine, conf. II
249794.8799 0.7605 -4.2384 3 210.3916285 89503 303471137 461036 a-Alanine, conf. II
249804.6384 1.3765 -3.0139 3 187.7540255 89503 303421824 411823 a-Alanine, conf. II
249811.0255 96.0878 -4.9675 3 751.1166555 89503 303921181 921182 a-Alanine, conf. II
249811.0255 96.0878 -4.9675 3 751.1166555 89503 303921281 921082 a-Alanine, conf. II
249832.2202 1.3057 -3.2938 3 242.7569267 89503 303443014 433013 a-Alanine, conf. II
249832.2202 1.3057 -3.2938 3 242.7569267 89503 303443015 433014 a-Alanine, conf. II
249865.3689 0.4610 -3.0003 3 197.6269267 89503 303441530 431529 a-Alanine, conf. II
249875.8529 86.2450 -5.0602 3 839.0981579 89503 303961482 961483 a-Alanine, conf. II
249875.8529 86.2450 -5.0602 3 839.0981579 89503 303961582 961383 a-Alanine, conf. II
249948.4158 0.3608 -4.3808 3 112.4713195 89503 303321716 311615 a-Alanine, conf. II
249968.1413 8.3966 -2.8983 3 222.7213327 89503 30354 054 53 053 a-Alanine, conf. II
249968.1413 8.3966 -3.9952 3 222.7213327 89503 30354 054 53 153 a-Alanine, conf. II
249968.1413 8.3966 -3.9952 3 222.7213327 89503 30354 154 53 053 a-Alanine, conf. II
249968.1413 8.3966 -2.8983 3 222.7213327 89503 30354 154 53 153 a-Alanine, conf. II
250007.8809 0.3595 -4.3806 3 112.4697195 89503 303321715 311616 a-Alanine, conf. II
250038.3288 0.4688 -2.9996 3 197.6162267 89503 303441430 431429 a-Alanine, conf. II
250074.7530 0.2845 -4.2051 3 99.0903189 89503 303311318 301119 a-Alanine, conf. II
250165.8067 1.2541 -3.2599 3 238.6043267 89503 303442915 432914 a-Alanine, conf. II
250165.8067 1.2541 -3.2599 3 238.6043267 89503 303442916 432915 a-Alanine, conf. II
250185.1901 0.4802 -4.4362 3 197.6162267 89503 303441530 431429 a-Alanine, conf. II
250279.9565 1.0343 -4.1651 3 102.8124171 89503 3032822 6 2721 7 a-Alanine, conf. II
250279.9565 1.0343 -4.1651 3 102.8124171 89503 3032822 7 2721 6 a-Alanine, conf. II
250353.1186104.0996 -4.9199 3 644.2539525 89503 30387 780 87 781 a-Alanine, conf. II
250353.1186104.0996 -4.9199 3 644.2539525 89503 30387 880 87 681 a-Alanine, conf. II
250379.7915 0.2119 -4.6257 3 71.1811165 89503 303271018 26 819 a-Alanine, conf. II
250380.1432 3.9961 -2.9263 3 222.0000315 89503 30352 349 51 348 a-Alanine, conf. II
250380.1432 3.9961 -4.0545 3 222.0000315 89503 30352 349 51 448 a-Alanine, conf. II
250380.1432 3.9961 -4.0545 3 222.0000315 89503 30352 449 51 348 a-Alanine, conf. II
250380.1432 3.9961 -2.9263 3 222.0000315 89503 30352 449 51 448 a-Alanine, conf. II
250416.3889 0.9794 -3.0474 3 200.4280261 89503 303432024 422023 a-Alanine, conf. II
250436.3530105.5600 -5.0577 3 543.2582495 89503 30382 379 82 380 a-Alanine, conf. II
250436.3530105.5600 -5.0577 3 543.2582495 89503 30382 479 82 280 a-Alanine, conf. II
250540.9442 1.2078 -3.2282 3 234.6093267 89503 303442816 432815 a-Alanine, conf. II
250540.9442 1.2078 -3.2282 3 234.6093267 89503 303442817 432816 a-Alanine, conf. II
250614.1445 1.6053 -4.6509 3 202.1631267 89503 303441628 431727 a-Alanine, conf. II
250677.2022 1.0668 -3.0465 3 200.4346261 89503 303432023 422022 a-Alanine, conf. II
250693.9276 0.2986 -4.4645 3 116.6844201 89503 303331617 321518 a-Alanine, conf. II
250732.4526 0.5680 -4.3653 3 203.2820273 89503 303451332 441431 a-Alanine, conf. II
250739.1939 0.5686 -2.9959 3 203.2820273 89503 303451432 441431 a-Alanine, conf. II
250744.6198 1.6486 -2.9516 3 219.4584303 89503 30350 644 49 643 a-Alanine, conf. II
250744.6198 1.6486 -4.1215 3 219.4584303 89503 30350 644 49 743 a-Alanine, conf. II
250744.6198 1.6486 -4.1215 3 219.4584303 89503 30350 744 49 643 a-Alanine, conf. II
250744.6198 1.6486 -2.9516 3 219.4584303 89503 30350 744 49 743 a-Alanine, conf. II
250748.4554 0.5693 -2.9958 3 203.2815273 89503 303451332 441331 a-Alanine, conf. II
250755.1968 0.5700 -4.3652 3 203.2815273 89503 303451432 441331 a-Alanine, conf. II
250792.9750100.5030 -4.9515 3 727.5943549 89503 303911081 911082 a-Alanine, conf. II
250792.9750100.5030 -4.9515 3 727.5943549 89503 303911181 91 982 a-Alanine, conf. II
250815.6203 78.5306 -5.1464 3 905.3876597 89503 303991683 991684 a-Alanine, conf. II
250815.6203 78.5306 -5.1464 3 905.3876597 89503 303991783 991584 a-Alanine, conf. II
250865.8926 0.4057 -2.9957 3 191.5441261 89503 303431528 421527 a-Alanine, conf. II
250900.1808 3.3861 -4.9869 3 395.1998369 89503 303612338 602535 a-Alanine, conf. II
250953.1490 92.3176 -5.0327 3 814.6514573 89503 303951382 951383 a-Alanine, conf. II
250953.1490 92.3176 -5.0327 3 814.6514573 89503 303951482 951283 a-Alanine, conf. II
250965.6858 1.1673 -3.1985 3 230.7741267 89503 303442717 432716 a-Alanine, conf. II
250965.6858 1.1673 -3.1985 3 230.7741267 89503 303442718 432717 a-Alanine, conf. II
251001.7186 0.3790 -4.5989 3 72.2127159 89503 303261412 251213 a-Alanine, conf. II
251145.7518 0.8627 -2.9734 3 215.0516291 89503 30348 939 47 938 a-Alanine, conf. II
251145.7518 0.8627 -4.2020 3 215.0516291 89503 30348 939 471038 a-Alanine, conf. II
251145.7518 0.8627 -4.2020 3 215.0516291 89503 303481039 47 938 a-Alanine, conf. II
251145.7518 0.8627 -2.9734 3 215.0516291 89503 303481039 471038 a-Alanine, conf. II
251219.9489106.7591 -4.9323 3 621.8960519 89503 30386 680 86 681 a-Alanine, conf. II
251219.9489106.7591 -4.9323 3 621.8960519 89503 30386 780 86 581 a-Alanine, conf. II
251450.5099 1.1335 -3.1705 3 227.1015267 89503 303442619 432618 a-Alanine, conf. II
251450.5102 1.1335 -3.1705 3 227.1015267 89503 303442618 432617 a-Alanine, conf. II
251481.8432 0.9876 -4.6113 3 175.1473249 89503 303411626 401525 a-Alanine, conf. II
251530.6165 0.8487 -4.1965 3 105.2027177 89503 3032921 8 2820 9 a-Alanine, conf. II
251530.6165 0.8487 -4.1965 3 105.2027177 89503 3032921 9 2820 8 a-Alanine, conf. II
251537.3022 0.8423 -4.5731 3 183.2906255 89503 303421627 411526 a-Alanine, conf. II
251539.0290 0.5320 -3.0022 3 193.7726261 89503 303431727 421726 a-Alanine, conf. II
251627.0180 0.2543 -4.4716 3 79.5329171 89503 303281217 271018 a-Alanine, conf. II
251724.6142 0.9469 -3.0263 3 198.0340261 89503 303431925 421924 a-Alanine, conf. II
251745.7792104.4812 -4.9405 3 704.2971543 89503 30390 981 90 982 a-Alanine, conf. II
251745.7792104.4812 -4.9405 3 704.2971543 89503 303901081 90 882 a-Alanine, conf. II
251771.0345 0.7166 -4.9727 3 57.6443135 89503 3032216 6 2114 7 a-Alanine, conf. II
251771.0903 0.7166 -4.9727 3 57.6443135 89503 3032216 7 2114 8 a-Alanine, conf. II
251775.2473 5.3991 -2.9150 3 225.2070321 89503 30353 251 52 250 a-Alanine, conf. II
251775.2473 5.3991 -4.0317 3 225.2070321 89503 30353 251 52 350 a-Alanine, conf. II
251775.2473 5.3991 -4.0317 3 225.2070321 89503 30353 351 52 250 a-Alanine, conf. II
251775.2473 5.3991 -2.9150 3 225.2070321 89503 30353 351 52 350 a-Alanine, conf. II
251828.8605 0.6735 -4.3099 3 208.6657279 89503 303461234 451333 a-Alanine, conf. II
251829.0876 0.6735 -2.9897 3 208.6657279 89503 303461334 451333 a-Alanine, conf. II
251829.4367 0.6736 -2.9897 3 208.6657279 89503 303461234 451233 a-Alanine, conf. II
251829.6637 0.6736 -4.3099 3 208.6657279 89503 303461334 451233 a-Alanine, conf. II
251925.0651 0.1280 -5.1495 3 54.3722153 89503 30325 520 24 321 a-Alanine, conf. II
251925.8508 0.1280 -5.1495 3 54.3722153 89503 30325 620 24 421 a-Alanine, conf. II
251926.4679 0.1817 -4.8451 3 62.7755159 89503 30326 719 25 520 a-Alanine, conf. II
251960.9136 85.9678 -5.1131 3 880.2461591 89503 303981583 981584 a-Alanine, conf. II
251960.9136 85.9678 -5.1131 3 880.2461591 89503 303981683 981484 a-Alanine, conf. II
251992.5272 0.1810 -4.8449 3 62.7755159 89503 30326 819 25 620 a-Alanine, conf. II
251998.4712 97.8759 -5.0084 3 790.4260567 89503 303941282 941283 a-Alanine, conf. II
251998.4712 97.8759 -5.0084 3 790.4260567 89503 303941382 941183 a-Alanine, conf. II
252003.4632 1.7071 -4.0802 3 102.4809159 89503 3032625 1 2524 2 a-Alanine, conf. II
252003.4632 1.7071 -4.0802 3 102.4809159 89503 3032625 2 2524 1 a-Alanine, conf. II
252009.4313 1.1075 -3.1441 3 223.5951267 89503 303442520 432519 a-Alanine, conf. II
252009.4370 1.1075 -3.1441 3 223.5951267 89503 303442519 432518 a-Alanine, conf. II
252060.9767109.0657 -4.9576 3 599.7678513 89503 30385 580 85 581 a-Alanine, conf. II
252060.9767109.0657 -4.9576 3 599.7678513 89503 30385 680 85 481 a-Alanine, conf. II
252061.6823 0.3798 -4.5967 3 72.1763159 89503 303261413 251214 a-Alanine, conf. II
252151.9877 2.3295 -2.9410 3 223.2794309 89503 30351 546 50 545 a-Alanine, conf. II
252151.9877 2.3295 -4.0951 3 223.2794309 89503 30351 546 50 645 a-Alanine, conf. II
252151.9877 2.3295 -4.0951 3 223.2794309 89503 30351 646 50 545 a-Alanine, conf. II
252151.9877 2.3295 -2.9410 3 223.2794309 89503 30351 646 50 645 a-Alanine, conf. II
252418.8273 0.7826 -3.0097 3 195.8422261 89503 303431826 421825 a-Alanine, conf. II
252427.3707 0.5266 -4.5108 3 199.9841267 89503 303441529 431628 a-Alanine, conf. II
252526.4118 1.0390 -2.9640 3 219.5065297 89503 30349 841 48 840 a-Alanine, conf. II
252526.4118 1.0390 -4.1694 3 219.5065297 89503 30349 841 48 940 a-Alanine, conf. II
252526.4118 1.0390 -4.1694 3 219.5065297 89503 30349 941 48 840 a-Alanine, conf. II
252526.4118 1.0390 -2.9640 3 219.5065297 89503 30349 941 48 940 a-Alanine, conf. II
252609.1554 16.8527 -5.0258 3 407.4307375 89503 303622339 612536 a-Alanine, conf. II
252658.0911 0.5225 -4.7672 3 64.3708147 89503 3032415 9 231310 a-Alanine, conf. II
252661.8494 1.0909 -3.1189 3 220.2593267 89503 303442421 432420 a-Alanine, conf. II
252661.9290 1.0910 -3.1189 3 220.2593267 89503 303442420 432419 a-Alanine, conf. II
252670.4366108.0414 -4.9355 3 681.2260537 89503 30389 881 89 882 a-Alanine, conf. II
252670.4366108.0414 -4.9355 3 681.2260537 89503 30389 981 89 782 a-Alanine, conf. II
252672.3551 0.5224 -4.7671 3 64.3703147 89503 303241510 231311 a-Alanine, conf. II
252721.9593 0.6869 -4.2321 3 107.9639183 89503 303302011 291910 a-Alanine, conf. II
252721.9604 0.6869 -4.2321 3 107.9639183 89503 303302010 291911 a-Alanine, conf. II
252770.7571 1.0329 -4.6404 3 167.1242243 89503 303401625 391524 a-Alanine, conf. II
252877.0288111.0351 -5.0012 3 577.8702507 89503 30384 480 84 481 a-Alanine, conf. II
252877.0288111.0351 -5.0012 3 577.8702507 89503 30384 580 84 381 a-Alanine, conf. II
253012.9766102.9415 -4.9878 3 766.4233561 89503 303931182 931183 a-Alanine, conf. II
253012.9766102.9415 -4.9878 3 766.4233561 89503 303931282 931083 a-Alanine, conf. II
253023.7018 0.6847 -4.5339 3 191.5441261 89503 303431628 421527 a-Alanine, conf. II
253059.5332 0.7672 -4.2642 3 213.8067285 89503 303471136 461235 a-Alanine, conf. II
253059.5390 0.7672 -2.9823 3 213.8067285 89503 303471236 461235 a-Alanine, conf. II
253059.5488 0.7672 -2.9823 3 213.8067285 89503 303471136 461135 a-Alanine, conf. II
253059.5547 0.7672 -4.2642 3 213.8067285 89503 303471236 461135 a-Alanine, conf. II
253072.3081 92.8269 -5.0823 3 855.3233585 89503 303971483 971484 a-Alanine, conf. II
253072.3081 92.8269 -5.0823 3 855.3233585 89503 303971583 971384 a-Alanine, conf. II
253099.4757 2.5407 -4.5297 3 325.0412273 89503 3034544 1 4444 0 a-Alanine, conf. II
253099.4757 2.5407 -4.5297 3 325.0412273 89503 3034544 2 4444 1 a-Alanine, conf. II
253160.9864 7.1389 -2.9036 3 228.2267327 89503 30354 153 53 152 a-Alanine, conf. II
253160.9864 7.1389 -4.0098 3 228.2267327 89503 30354 153 53 252 a-Alanine, conf. II
253160.9864 7.1389 -4.0098 3 228.2267327 89503 30354 253 53 152 a-Alanine, conf. II
253160.9864 7.1389 -2.9036 3 228.2267327 89503 30354 253 53 252 a-Alanine, conf. II
253201.5692 2.4378 -4.2202 3 318.7925273 89503 3034543 2 4443 1 a-Alanine, conf. II
253201.5692 2.4378 -4.2202 3 318.7925273 89503 3034543 3 4443 2 a-Alanine, conf. II
253225.0566 1.3469 -3.0209 3 198.0806261 89503 303431924 421923 a-Alanine, conf. II
253311.4887 1.4487 -4.1051 3 104.0025165 89503 3032724 3 2623 4 a-Alanine, conf. II
253311.4887 1.4487 -4.1051 3 104.0025165 89503 3032724 4 2623 3 a-Alanine, conf. II
253311.5635 2.3380 -4.0360 3 312.6906273 89503 3034542 3 4442 2 a-Alanine, conf. II
253311.5635 2.3380 -4.0360 3 312.6906273 89503 3034542 4 4442 3 a-Alanine, conf. II
253430.2592 2.2415 -3.9033 3 306.7359273 89503 3034541 4 4441 3 a-Alanine, conf. II
253430.2592 2.2415 -3.9033 3 306.7359273 89503 3034541 5 4441 4 a-Alanine, conf. II
253435.6457 1.0863 -3.0949 3 217.1002267 89503 303442322 432321 a-Alanine, conf. II
253436.5988 1.0869 -3.0949 3 217.1003267 89503 303442321 432320 a-Alanine, conf. II
253438.4708 0.3264 -4.4907 3 123.1819207 89503 303341619 331518 a-Alanine, conf. II
253470.2475 0.4181 -4.7610 3 113.2387201 89503 303331419 321320 a-Alanine, conf. II
253511.9148 0.4442 -2.9947 3 199.9841267 89503 303441629 431628 a-Alanine, conf. II
253557.0922 3.2610 -2.9303 3 226.9101315 89503 30352 448 51 447 a-Alanine, conf. II
253557.0922 3.2610 -4.0704 3 226.9101315 89503 30352 448 51 547 a-Alanine, conf. II
253557.0922 3.2610 -4.0704 3 226.9101315 89503 30352 548 51 447 a-Alanine, conf. II
253557.0922 3.2610 -2.9303 3 226.9101315 89503 30352 548 51 547 a-Alanine, conf. II
253558.5661 2.1482 -3.7990 3 300.9288273 89503 3034540 5 4440 4 a-Alanine, conf. II
253558.5661 2.1482 -3.7990 3 300.9288273 89503 3034540 6 4440 5 a-Alanine, conf. II
253567.8904111.2015 -4.9379 3 658.3822531 89503 30388 781 88 782 a-Alanine, conf. II
253567.8904111.2015 -4.9379 3 658.3822531 89503 30388 881 88 682 a-Alanine, conf. II
253668.8907112.6827 -5.0733 3 556.2043501 89503 30383 380 83 381 a-Alanine, conf. II
253668.8907112.6827 -5.0733 3 556.2043501 89503 30383 480 83 281 a-Alanine, conf. II
253679.1180 0.5139 -2.9737 3 184.7651255 89503 303421626 411625 a-Alanine, conf. II
253692.4765 0.3031 -4.4583 3 81.0165171 89503 303281316 271117 a-Alanine, conf. II
253697.5231 2.0583 -3.7127 3 295.2696273 89503 3034539 6 4439 5 a-Alanine, conf. II
253697.5231 2.0583 -3.7127 3 295.2696273 89503 3034539 7 4439 6 a-Alanine, conf. II
253809.6582 0.5494 -4.2734 3 111.1095189 89503 303311913 301812 a-Alanine, conf. II
253809.7553 0.5494 -4.2734 3 111.1095189 89503 303311912 301813 a-Alanine, conf. II
253848.3210 1.9718 -3.6389 3 289.7588273 89503 3034538 7 4438 6 a-Alanine, conf. II
253848.3210 1.9718 -3.6389 3 289.7588273 89503 3034538 8 4438 7 a-Alanine, conf. II
253923.1920 1.3592 -2.9542 3 223.7620303 89503 30350 743 49 742 a-Alanine, conf. II
253923.1920 1.3592 -4.1397 3 223.7620303 89503 30350 743 49 842 a-Alanine, conf. II
253923.1920 1.3592 -4.1397 3 223.7620303 89503 30350 843 49 742 a-Alanine, conf. II
253923.1920 1.3592 -2.9542 3 223.7620303 89503 30350 843 49 842 a-Alanine, conf. II
253997.7534107.5353 -4.9713 3 742.6442555 89503 303921082 921083 a-Alanine, conf. II
253997.7534107.5353 -4.9713 3 742.6442555 89503 303921182 92 983 a-Alanine, conf. II
254012.3328 1.8889 -3.5745 3 284.3968273 89503 3034537 8 4437 7 a-Alanine, conf. II
254012.3328 1.8889 -3.5745 3 284.3968273 89503 3034537 9 4437 8 a-Alanine, conf. II
254151.0745 99.1320 -5.0543 3 830.6205579 89503 303961383 961384 a-Alanine, conf. II
254151.0745 99.1320 -5.0543 3 830.6205579 89503 303961483 961284 a-Alanine, conf. II
254191.1494 1.8095 -3.5172 3 279.1842273 89503 3034536 9 4436 8 a-Alanine, conf. II
254191.1494 1.8095 -3.5172 3 279.1842273 89503 303453610 4436 9 a-Alanine, conf. II
254243.0549 0.3750 -4.5434 3 77.3057165 89503 303271413 261214 a-Alanine, conf. II
254258.4995 0.5354 -4.4103 3 205.9615273 89503 303451431 441530 a-Alanine, conf. II
254299.2355 10.2439 -5.0582 3 265.7055303 89503 303502030 492129 a-Alanine, conf. II
254324.3242 0.5402 -2.9919 3 205.9615273 89503 303451531 441530 a-Alanine, conf. II
254369.8416 0.8567 -4.2249 3 218.7239291 89503 303481038 471137 a-Alanine, conf. II
254369.8417 0.8567 -2.9742 3 218.7239291 89503 303481138 471137 a-Alanine, conf. II
254369.8419 0.8567 -2.9742 3 218.7239291 89503 303481038 471037 a-Alanine, conf. II
254369.8420 0.8567 -4.2249 3 218.7239291 89503 303481138 471037 a-Alanine, conf. II
254371.2018 1.0968 -3.0717 3 214.1261267 89503 303442223 432222 a-Alanine, conf. II
254375.7529 1.2766 -2.9779 3 186.0822255 89503 303421725 411724 a-Alanine, conf. II
254380.8976 1.1016 -3.0717 3 214.1263267 89503 303442222 432221 a-Alanine, conf. II
254386.6266 1.7340 -3.4656 3 274.1217273 89503 303453510 4435 9 a-Alanine, conf. II
254386.6266 1.7340 -3.4656 3 274.1217273 89503 303453511 443510 a-Alanine, conf. II
254405.3608 0.5451 -2.9916 3 205.9566273 89503 303451431 441430 a-Alanine, conf. II
254439.0329113.9790 -4.9498 3 635.7667525 89503 30387 681 87 682 a-Alanine, conf. II
254439.0329113.9790 -4.9498 3 635.7667525 89503 30387 781 87 582 a-Alanine, conf. II
254471.1855 0.5509 -4.4095 3 205.9566273 89503 303451531 441430 a-Alanine, conf. II
254535.9409 9.2585 -2.8921 3 231.0593333 89503 30355 055 54 054 a-Alanine, conf. II
254535.9409 9.2585 -3.9889 3 231.0593333 89503 30355 055 54 154 a-Alanine, conf. II
254535.9409 9.2585 -3.9889 3 231.0593333 89503 30355 155 54 054 a-Alanine, conf. II
254535.9409 9.2585 -2.8921 3 231.0593333 89503 30355 155 54 154 a-Alanine, conf. II
254585.1798 0.4640 -2.9905 3 199.9121267 89503 303441529 431528 a-Alanine, conf. II
254600.9436 1.6623 -3.4187 3 269.2099273 89503 303453411 443410 a-Alanine, conf. II
254600.9436 1.6623 -3.4187 3 269.2099273 89503 303453412 443411 a-Alanine, conf. II
254606.9939 1.2159 -4.1319 3 105.8754171 89503 3032823 5 2722 6 a-Alanine, conf. II
254606.9939 1.2159 -4.1319 3 105.8754171 89503 3032823 6 2722 5 a-Alanine, conf. II
254708.6691 0.4379 -4.3235 3 114.6604195 89503 303321815 311714 a-Alanine, conf. II
254713.6805 0.4378 -4.3235 3 114.6603195 89503 303321814 311715 a-Alanine, conf. II
254836.6795 1.5948 -3.3758 3 264.4499273 89503 303453312 443311 a-Alanine, conf. II
254836.6795 1.5948 -3.3758 3 264.4499273 89503 303453313 443312 a-Alanine, conf. II
254874.5093 0.9531 -4.6507 3 159.2478237 89503 303391624 381523 a-Alanine, conf. II
254953.8260111.6772 -4.9598 3 719.0900549 89503 30391 982 91 983 a-Alanine, conf. II
254953.8260111.6772 -4.9598 3 719.0900549 89503 303911082 91 883 a-Alanine, conf. II
254956.7259 4.4745 -2.9195 3 230.3517321 89503 30353 350 52 349 a-Alanine, conf. II
254956.7259 4.4745 -4.0470 3 230.3517321 89503 30353 350 52 449 a-Alanine, conf. II
254956.7259 4.4745 -4.0470 3 230.3517321 89503 30353 450 52 349 a-Alanine, conf. II
254956.7259 4.4745 -2.9195 3 230.3517321 89503 30353 450 52 449 a-Alanine, conf. II
255037.0832 0.3623 -4.9245 3 105.3861195 89503 303321319 311220 a-Alanine, conf. II
255096.9141 1.5316 -3.3361 3 259.8424273 89503 303453213 443212 a-Alanine, conf. II
255096.9141 1.5316 -3.3361 3 259.8424273 89503 303453214 443213 a-Alanine, conf. II
255156.2571 92.6668 -5.1360 3 896.8765597 89503 303991584 991585 a-Alanine, conf. II
255156.2571 92.6668 -5.1360 3 896.8765597 89503 303991684 991485 a-Alanine, conf. II
255168.8893 0.3579 -4.3890 3 118.6521201 89503 303331717 321616 a-Alanine, conf. II
255198.4035104.9059 -5.0296 3 806.1389573 89503 303951283 951284 a-Alanine, conf. II
255198.4035104.9059 -5.0296 3 806.1389573 89503 303951383 951184 a-Alanine, conf. II
255242.1144 0.2270 -4.5328 3 77.9176171 89503 303281118 27 919 a-Alanine, conf. II
255244.8917 0.6561 -4.3446 3 211.6458279 89503 303461333 451432 a-Alanine, conf. II
255247.6843 0.6564 -2.9875 3 211.6458279 89503 303461433 451432 a-Alanine, conf. II
255251.6331 0.6567 -2.9875 3 211.6456279 89503 303461333 451332 a-Alanine, conf. II
255254.4256 0.6570 -4.3445 3 211.6456279 89503 303461433 451332 a-Alanine, conf. II
255284.7097116.3907 -4.9746 3 613.3807519 89503 30386 581 86 582 a-Alanine, conf. II
255284.7097116.3907 -4.9746 3 613.3807519 89503 30386 681 86 482 a-Alanine, conf. II
255327.2502 1.8805 -2.9443 3 227.8224309 89503 30351 645 50 644 a-Alanine, conf. II
255327.2502 1.8805 -4.1123 3 227.8224309 89503 30351 645 50 744 a-Alanine, conf. II
255327.2502 1.8805 -4.1123 3 227.8224309 89503 30351 745 50 644 a-Alanine, conf. II
255327.2502 1.8805 -2.9443 3 227.8224309 89503 30351 745 50 744 a-Alanine, conf. II
255328.3357 0.3551 -4.3885 3 118.6479201 89503 303331716 321617 a-Alanine, conf. II
255385.3619 1.4729 -3.2994 3 255.3888273 89503 303453114 443113 a-Alanine, conf. II
255385.3619 1.4729 -3.2994 3 255.3888273 89503 303453115 443114 a-Alanine, conf. II
255516.3511 1.1216 -3.0493 3 211.3484267 89503 303442124 432123 a-Alanine, conf. II
255598.5002 1.1564 -3.0490 3 211.3503267 89503 303442123 432122 a-Alanine, conf. II
255669.7239 0.5943 -4.4977 3 199.9121267 89503 303441629 431528 a-Alanine, conf. II
255706.5564 1.4192 -3.2651 3 251.0904273 89503 303453015 443014 a-Alanine, conf. II
255706.5564 1.4192 -3.2651 3 251.0904273 89503 303453016 443015 a-Alanine, conf. II
255726.2201 0.9741 -2.9655 3 223.4289297 89503 30349 940 48 939 a-Alanine, conf. II
255726.2201 0.9741 -4.1902 3 223.4289297 89503 30349 940 481039 a-Alanine, conf. II
255726.2201 0.9741 -4.1902 3 223.4289297 89503 303491040 48 939 a-Alanine, conf. II
255726.2201 0.9741 -2.9655 3 223.4289297 89503 303491040 481039 a-Alanine, conf. II
255878.6597 1.0081 -4.1612 3 108.1052177 89503 3032922 7 2821 8 a-Alanine, conf. II
255878.6597 1.0081 -4.1612 3 108.1052177 89503 3032922 8 2821 7 a-Alanine, conf. II
255882.1615115.3865 -4.9544 3 695.7618543 89503 30390 882 90 883 a-Alanine, conf. II
255882.1615115.3865 -4.9544 3 695.7618543 89503 30390 982 90 783 a-Alanine, conf. II
256066.1063 1.3709 -3.2331 3 246.9489273 89503 303452916 442915 a-Alanine, conf. II
256066.1063 1.3709 -3.2331 3 246.9489273 89503 303452917 442916 a-Alanine, conf. II
256105.7236118.4529 -5.0177 3 591.2250513 89503 30385 481 85 482 a-Alanine, conf. II
256105.7236118.4529 -5.0177 3 591.2250513 89503 30385 581 85 382 a-Alanine, conf. II
256140.1172 0.3994 -4.6170 3 121.3459207 89503 303341519 331420 a-Alanine, conf. II
256215.4133110.1709 -5.0085 3 781.8796567 89503 303941183 941184 a-Alanine, conf. II
256215.4133110.1709 -5.0085 3 781.8796567 89503 303941283 941084 a-Alanine, conf. II
256268.7379 99.7822 -5.1048 3 871.6979591 89503 303981484 981485 a-Alanine, conf. II
256268.7379 99.7822 -5.1048 3 871.6979591 89503 303981584 981385 a-Alanine, conf. II
256312.7282 1.9578 -4.0516 3 106.0009159 89503 3032626 0 2525 1 a-Alanine, conf. II
256312.7282 1.9578 -4.0516 3 106.0009159 89503 3032626 1 2525 0 a-Alanine, conf. II
256348.5336 6.0059 -2.9086 3 233.6053327 89503 30354 252 53 251 a-Alanine, conf. II
256348.5336 6.0059 -4.0248 3 233.6053327 89503 30354 252 53 351 a-Alanine, conf. II
256348.5336 6.0059 -4.0248 3 233.6053327 89503 30354 352 53 251 a-Alanine, conf. II
256348.5336 6.0059 -2.9086 3 233.6053327 89503 30354 352 53 351 a-Alanine, conf. II
256375.0083 0.7667 -4.2930 3 217.0658285 89503 303471235 461334 a-Alanine, conf. II
256375.0966 0.7667 -2.9815 3 217.0658285 89503 303471335 461334 a-Alanine, conf. II
256375.2353 0.7667 -2.9815 3 217.0658285 89503 303471235 461234 a-Alanine, conf. II
256375.3237 0.7667 -4.2930 3 217.0658285 89503 303471335 461234 a-Alanine, conf. II
256402.5025 0.3159 -4.4841 3 123.1078207 89503 303341618 331519 a-Alanine, conf. II
256471.0649 1.3285 -3.2030 3 242.9665273 89503 303452817 442816 a-Alanine, conf. II
256471.0649 1.3285 -3.2030 3 242.9665273 89503 303452818 442817 a-Alanine, conf. II
256525.0987 0.3775 -4.4899 3 82.6415171 89503 303281414 271215 a-Alanine, conf. II
256536.8499 0.3646 -4.5221 3 129.8898213 89503 303351620 341519 a-Alanine, conf. II
256589.5271 0.3742 -4.5395 3 77.2244165 89503 303271414 261215 a-Alanine, conf. II
256617.3149 0.5312 -2.9910 3 202.1631267 89503 303441728 431727 a-Alanine, conf. II
256697.8466 0.2061 -4.7244 3 69.3453165 89503 30327 819 26 620 a-Alanine, conf. II
256732.6111 2.6399 -2.9341 3 231.6903315 89503 30352 547 51 546 a-Alanine, conf. II
256732.6111 2.6399 -4.0868 3 231.6903315 89503 30352 547 51 646 a-Alanine, conf. II
256732.6111 2.6399 -4.0868 3 231.6903315 89503 30352 647 51 546 a-Alanine, conf. II
256732.6111 2.6399 -2.9341 3 231.6903315 89503 30352 647 51 646 a-Alanine, conf. II
256783.6739118.6816 -4.9563 3 672.6606537 89503 30389 782 89 783 a-Alanine, conf. II
256783.6739118.6816 -4.9563 3 672.6606537 89503 30389 882 89 683 a-Alanine, conf. II
256855.9614 1.1334 -3.0275 3 208.7810267 89503 303442025 432024 a-Alanine, conf. II
256902.8379120.1811 -5.0895 3 569.3009507 89503 30384 381 84 382 a-Alanine, conf. II
256902.8379120.1811 -5.0895 3 569.3009507 89503 30384 481 84 282 a-Alanine, conf. II
256930.4784 1.2926 -3.1746 3 239.1454273 89503 303452719 442718 a-Alanine, conf. II
256930.4785 1.2926 -3.1746 3 239.1454273 89503 303452718 442717 a-Alanine, conf. II
256985.5784 0.2051 -4.7236 3 69.3455165 89503 30327 919 26 720 a-Alanine, conf. II
256986.7328 0.6948 -4.8895 3 61.8304141 89503 3032316 7 2214 8 a-Alanine, conf. II
256986.9701 0.6948 -4.8895 3 61.8303141 89503 3032316 8 2214 9 a-Alanine, conf. II
256997.3012 0.7877 -4.6374 3 151.5543231 89503 303381623 371522 a-Alanine, conf. II
257108.1450 0.8247 -4.1937 3 110.6999183 89503 303302110 2920 9 a-Alanine, conf. II
257108.1451 0.8247 -4.1937 3 110.6999183 89503 3033021 9 292010 a-Alanine, conf. II
257108.9544 1.1808 -2.9565 3 227.9298303 89503 30350 842 49 841 a-Alanine, conf. II
257108.9544 1.1808 -4.1589 3 227.9298303 89503 30350 842 49 941 a-Alanine, conf. II
257108.9544 1.1808 -4.1589 3 227.9298303 89503 30350 942 49 841 a-Alanine, conf. II
257108.9544 1.1808 -2.9565 3 227.9298303 89503 30350 942 49 941 a-Alanine, conf. II
257203.1563114.9481 -4.9916 3 757.8439561 89503 303931083 931084 a-Alanine, conf. II
257203.1563114.9481 -4.9916 3 757.8439561 89503 303931183 93 984 a-Alanine, conf. II
257337.8945 5.2872 -4.8419 3 232.8657285 89503 303471829 461928 a-Alanine, conf. II
257349.1517106.3257 -5.0764 3 846.7390585 89503 303971384 971385 a-Alanine, conf. II
257349.1517106.3257 -5.0764 3 846.7390585 89503 303971484 971285 a-Alanine, conf. II
257413.6234 1.3304 -3.0256 3 208.7963267 89503 303442024 432023 a-Alanine, conf. II
257456.2328 1.2644 -3.1478 3 235.4890273 89503 303452620 442619 a-Alanine, conf. II
257456.2340 1.2644 -3.1478 3 235.4890273 89503 303452619 442618 a-Alanine, conf. II
257487.3664 0.5240 -4.4714 3 208.4403273 89503 303451530 441629 a-Alanine, conf. II
257488.2109 0.5062 -4.7008 3 68.9795153 89503 303251510 241311 a-Alanine, conf. II
257531.7430 0.5062 -4.7006 3 68.9780153 89503 303251511 241312 a-Alanine, conf. II
257591.9426 0.3987 -2.9714 3 193.2269261 89503 303431627 421626 a-Alanine, conf. II
257623.9619 1.6746 -4.0753 3 107.3706165 89503 3032725 2 2624 3 a-Alanine, conf. II
257623.9619 1.6746 -4.0753 3 107.3706165 89503 3032725 3 2624 2 a-Alanine, conf. II
257625.0889 0.8649 -4.2499 3 222.2479291 89503 303481137 471236 a-Alanine, conf. II
257625.0911 0.8649 -2.9745 3 222.2479291 89503 303481237 471236 a-Alanine, conf. II
257625.0948 0.8649 -2.9745 3 222.2479291 89503 303481137 471136 a-Alanine, conf. II
257625.0969 0.8649 -4.2499 3 222.2479291 89503 303481237 471136 a-Alanine, conf. II
257659.2286121.5806 -4.9678 3 649.7876531 89503 30388 682 88 683 a-Alanine, conf. II
257659.2286121.5806 -4.9678 3 649.7876531 89503 30388 782 88 583 a-Alanine, conf. II
257694.9887 0.1626 -4.9777 3 60.7495159 89503 30326 620 25 421 a-Alanine, conf. II
257699.9867 0.1625 -4.9777 3 60.7495159 89503 30326 720 25 521 a-Alanine, conf. II
257725.6561 0.3861 -4.4332 3 88.2294177 89503 303291415 281216 a-Alanine, conf. II
257730.7437 7.8959 -2.8977 3 236.6713333 89503 30355 154 54 153 a-Alanine, conf. II
257730.7437 7.8959 -4.0037 3 236.6713333 89503 30355 154 54 253 a-Alanine, conf. II
257730.7437 7.8959 -4.0037 3 236.6713333 89503 30355 254 54 153 a-Alanine, conf. II
257730.7437 7.8959 -2.8977 3 236.6713333 89503 30355 254 54 253 a-Alanine, conf. II
257843.9053 1.7021 -2.9872 3 196.0866261 89503 303431825 421824 a-Alanine, conf. II
258013.0811 0.5132 -2.9868 3 208.4403273 89503 303451630 441629 a-Alanine, conf. II
258056.3530 1.0464 -3.0079 3 206.4306267 89503 303441926 431925 a-Alanine, conf. II
258064.4247 1.2454 -3.1224 3 232.0012273 89503 303452521 442520 a-Alanine, conf. II
258064.4428 1.2454 -3.1224 3 232.0012273 89503 303452520 442519 a-Alanine, conf. II
258135.0920 3.6679 -2.9239 3 235.3678321 89503 30353 449 52 448 a-Alanine, conf. II
258135.0920 3.6679 -4.0629 3 235.3678321 89503 30353 449 52 548 a-Alanine, conf. II
258135.0920 3.6679 -4.0629 3 235.3678321 89503 30353 549 52 448 a-Alanine, conf. II
258135.0920 3.6679 -2.9239 3 235.3678321 89503 30353 549 52 548 a-Alanine, conf. II
258162.6242119.2581 -4.9796 3 734.0328555 89503 30392 983 92 984 a-Alanine, conf. II
258162.6242119.2581 -4.9796 3 734.0328555 89503 303921083 92 884 a-Alanine, conf. II
258176.3555 1.1645 -4.5761 3 210.7229273 89503 303451629 441728 a-Alanine, conf. II
258178.6476 0.3935 -4.3649 3 94.0661183 89503 303301416 291217 a-Alanine, conf. II
258235.9531 0.7970 -2.9945 3 204.2620267 89503 303441827 431826 a-Alanine, conf. II
258238.5955 0.4499 -4.5619 3 136.8546219 89503 303361621 351520 a-Alanine, conf. II
258264.8773 0.6659 -4.2308 3 113.6703189 89503 303312012 301911 a-Alanine, conf. II
258264.8822 0.6659 -4.2308 3 113.6703189 89503 303312011 301912 a-Alanine, conf. II
258323.1048 0.6001 -4.6042 3 144.0804225 89503 303371622 361521 a-Alanine, conf. II
258398.6487112.3210 -5.0512 3 822.0012579 89503 303961284 961285 a-Alanine, conf. II
258398.6487112.3210 -5.0512 3 822.0012579 89503 303961384 961185 a-Alanine, conf. II
258505.7446 1.5501 -2.9472 3 232.2320309 89503 30351 744 50 743 a-Alanine, conf. II
258505.7446 1.5501 -4.1303 3 232.2320309 89503 30351 744 50 843 a-Alanine, conf. II
258505.7446 1.5501 -4.1303 3 232.2320309 89503 30351 844 50 743 a-Alanine, conf. II
258505.7446 1.5501 -2.9472 3 232.2320309 89503 30351 844 50 843 a-Alanine, conf. II
258509.6464124.1006 -4.9922 3 627.1438525 89503 30387 582 87 583 a-Alanine, conf. II
258509.6464124.1006 -4.9922 3 627.1438525 89503 30387 682 87 483 a-Alanine, conf. II
258571.9105 0.5311 -2.9846 3 208.4041273 89503 303451530 441529 a-Alanine, conf. II
258698.1340 2.7614 -4.5417 3 339.8759279 89503 3034645 1 4545 0 a-Alanine, conf. II
258698.1340 2.7614 -4.5417 3 339.8759279 89503 3034645 2 4545 1 a-Alanine, conf. II
258707.6378 10.5933 -5.0144 3 422.0941381 89503 303632439 622636 a-Alanine, conf. II
258761.3652 0.6254 -4.3860 3 214.4448279 89503 303461432 451531 a-Alanine, conf. II
258777.6665 1.2376 -3.0981 3 228.6872273 89503 303452422 442421 a-Alanine, conf. II
258777.9000 1.2378 -3.0981 3 228.6872273 89503 303452421 442420 a-Alanine, conf. II
258790.2428 0.6282 -2.9843 3 214.4448279 89503 303461532 451531 a-Alanine, conf. II
258799.7210 2.6548 -4.2318 3 333.4837279 89503 3034644 2 4544 1 a-Alanine, conf. II
258799.7210 2.6548 -4.2318 3 333.4837279 89503 3034644 3 4544 2 a-Alanine, conf. II
258803.9647 0.3889 -4.2833 3 100.1321189 89503 303311417 301218 a-Alanine, conf. II
258827.1898 0.6310 -2.9841 3 214.4426279 89503 303461432 451431 a-Alanine, conf. II
258856.0675 0.6340 -4.3856 3 214.4426279 89503 303461532 451431 a-Alanine, conf. II
258909.0034 2.5515 -4.0472 3 327.2384279 89503 3034643 3 4543 2 a-Alanine, conf. II
258909.0034 2.5515 -4.0472 3 327.2384279 89503 3034643 4 4543 3 a-Alanine, conf. II
258915.8261 0.2553 -5.0592 3 97.7605189 89503 303311219 301120 a-Alanine, conf. II
258926.9004 1.4179 -4.1006 3 109.0889171 89503 3032824 4 2723 5 a-Alanine, conf. II
258926.9004 1.4179 -4.1006 3 109.0889171 89503 3032824 5 2723 4 a-Alanine, conf. II
258945.2613 0.9623 -4.2125 3 227.2087297 89503 303491039 481138 a-Alanine, conf. II
258945.2613 0.9623 -2.9667 3 227.2087297 89503 303491139 481138 a-Alanine, conf. II
258945.2614 0.9623 -2.9667 3 227.2087297 89503 303491039 481038 a-Alanine, conf. II
258945.2614 0.9623 -4.2125 3 227.2087297 89503 303491139 481038 a-Alanine, conf. II
259026.7413 2.4515 -3.9141 3 321.1402279 89503 3034642 4 4542 3 a-Alanine, conf. II
259026.7413 2.4515 -3.9141 3 321.1402279 89503 3034642 5 4542 4 a-Alanine, conf. II
259065.1115 13.1268 -5.1001 3 287.9689315 89503 303522131 512230 a-Alanine, conf. II
259094.7539123.1207 -4.9737 3 710.4475549 89503 30391 883 91 884 a-Alanine, conf. II
259094.7539123.1207 -4.9737 3 710.4475549 89503 30391 983 91 784 a-Alanine, conf. II
259097.6253 0.5870 -4.4652 3 208.4041273 89503 303451630 441529 a-Alanine, conf. II
259101.9960 10.1890 -2.8866 3 239.5497339 89503 30356 056 55 055 a-Alanine, conf. II
259101.9960 10.1890 -3.9834 3 239.5497339 89503 30356 056 55 155 a-Alanine, conf. II
259101.9960 10.1890 -3.9834 3 239.5497339 89503 30356 156 55 055 a-Alanine, conf. II
259101.9960 10.1890 -2.8866 3 239.5497339 89503 30356 156 55 155 a-Alanine, conf. II
259153.7960 2.3549 -3.8093 3 315.1895279 89503 3034641 5 4541 4 a-Alanine, conf. II
259153.7960 2.3549 -3.8093 3 315.1895279 89503 3034641 6 4541 5 a-Alanine, conf. II
259291.1474 2.2617 -3.7226 3 309.3866279 89503 3034640 6 4540 5 a-Alanine, conf. II
259291.1474 2.2617 -3.7226 3 309.3866279 89503 3034640 7 4540 6 a-Alanine, conf. II
259295.0613 0.5327 -4.2743 3 117.0320195 89503 303321914 311813 a-Alanine, conf. II
259295.4049 0.5327 -4.2743 3 117.0320195 89503 303321913 311814 a-Alanine, conf. II
259335.7067126.2583 -5.0348 3 604.7302519 89503 30386 482 86 483 a-Alanine, conf. II
259335.7067126.2583 -5.0348 3 604.7302519 89503 30386 582 86 383 a-Alanine, conf. II
259418.3099117.7905 -5.0296 3 797.4856573 89503 303951184 951185 a-Alanine, conf. II
259418.3099117.7905 -5.0296 3 797.4856573 89503 303951284 951085 a-Alanine, conf. II
259439.9152 2.1722 -3.6485 3 303.7321279 89503 3034639 7 4539 6 a-Alanine, conf. II
259439.9152 2.1722 -3.6485 3 303.7321279 89503 3034639 8 4539 7 a-Alanine, conf. II
259531.6760 4.9973 -2.9135 3 238.8562327 89503 30354 351 53 350 a-Alanine, conf. II
259531.6760 4.9973 -4.0403 3 238.8562327 89503 30354 351 53 450 a-Alanine, conf. II
259531.6760 4.9973 -4.0403 3 238.8562327 89503 30354 451 53 350 a-Alanine, conf. II
259531.6760 4.9973 -2.9135 3 238.8562327 89503 30354 451 53 450 a-Alanine, conf. II
259601.3852 2.0863 -3.5836 3 298.2262279 89503 3034638 8 4538 7 a-Alanine, conf. II
259601.3852 2.0863 -3.5836 3 298.2262279 89503 3034638 9 4538 8 a-Alanine, conf. II
259628.7815 1.2445 -3.0748 3 225.5540273 89503 303452323 442322 a-Alanine, conf. II
259631.3658 1.2461 -3.0748 3 225.5540273 89503 303452322 442321 a-Alanine, conf. II
259764.7458 0.7523 -4.3258 3 220.1599285 89503 303471334 461433 a-Alanine, conf. II
259765.8849 0.7524 -2.9799 3 220.1599285 89503 303471434 461433 a-Alanine, conf. II
259767.5383 0.7526 -2.9799 3 220.1598285 89503 303471334 461333 a-Alanine, conf. II
259768.6774 0.7528 -4.3258 3 220.1598285 89503 303471434 461333 a-Alanine, conf. II
259777.0413 2.0041 -3.5259 3 292.8697279 89503 3034637 9 4537 8 a-Alanine, conf. II
259777.0413 2.0041 -3.5259 3 292.8697279 89503 303463710 4537 9 a-Alanine, conf. II
259908.5122 2.1383 -2.9377 3 236.3392315 89503 30352 646 51 645 a-Alanine, conf. II
259908.5122 2.1383 -4.1039 3 236.3392315 89503 30352 646 51 745 a-Alanine, conf. II
259908.5122 2.1383 -4.1039 3 236.3392315 89503 30352 746 51 645 a-Alanine, conf. II
259908.5122 2.1383 -2.9377 3 236.3392315 89503 30352 746 51 745 a-Alanine, conf. II
259968.6064 1.9259 -3.4740 3 287.6631279 89503 303463610 4536 9 a-Alanine, conf. II
259968.6064 1.9259 -3.4740 3 287.6631279 89503 303463611 453610 a-Alanine, conf. II
260000.4312126.5547 -4.9752 3 687.0891543 89503 30390 783 90 784 a-Alanine, conf. II
260000.4312126.5547 -4.9752 3 687.0891543 89503 30390 883 90 684 a-Alanine, conf. II
260088.7623 0.4283 -4.3280 3 120.8090201 89503 303331816 321715 a-Alanine, conf. II
260103.7562 0.4279 -4.3280 3 120.8086201 89503 303331815 321716 a-Alanine, conf. II
260138.1512128.0698 -5.1060 3 582.5478513 89503 30385 382 85 383 a-Alanine, conf. II
260138.1512128.0698 -5.1060 3 582.5478513 89503 30385 482 85 283 a-Alanine, conf. II
260178.0941 1.8517 -3.4267 3 282.6071279 89503 303463511 453510 a-Alanine, conf. II
260178.0941 1.8517 -3.4267 3 282.6071279 89503 303463512 453511 a-Alanine, conf. II
260213.0983 1.1870 -4.1281 3 111.1609177 89503 3032923 6 2822 7 a-Alanine, conf. II
260213.0983 1.1870 -4.1281 3 111.1609177 89503 3032923 7 2822 6 a-Alanine, conf. II
260230.6178 0.3609 -4.4005 3 125.0467207 89503 303341718 331617 a-Alanine, conf. II
260262.9420 0.3522 -4.2164 3 105.2118195 89503 303321319 311120 a-Alanine, conf. II
260306.2574 1.0978 -2.9585 3 231.9590303 89503 30350 941 49 940 a-Alanine, conf. II
260306.2574 1.0978 -4.1793 3 231.9590303 89503 30350 941 491040 a-Alanine, conf. II
260306.2574 1.0978 -4.1793 3 231.9590303 89503 303501041 49 940 a-Alanine, conf. II
260306.2574 1.0978 -2.9585 3 231.9590303 89503 303501041 491040 a-Alanine, conf. II
260407.8741 1.7817 -3.3833 3 277.7025279 89503 303463412 453411 a-Alanine, conf. II
260407.8741 1.7817 -3.3833 3 277.7025279 89503 303463413 453412 a-Alanine, conf. II
260409.1534122.7562 -5.0123 3 773.1933567 89503 303941084 941085 a-Alanine, conf. II
260409.1534122.7562 -5.0123 3 773.1933567 89503 303941184 94 985 a-Alanine, conf. II
260435.6927 2.7784 -4.6843 3 221.6739279 89503 303461729 451828 a-Alanine, conf. II
260547.3624113.9140 -5.0989 3 863.0069591 89503 303981385 981386 a-Alanine, conf. II
260547.3624113.9140 -5.0989 3 863.0069591 89503 303981485 981286 a-Alanine, conf. II
260552.9838 0.3056 -4.4223 3 86.4315177 89503 303291317 281118 a-Alanine, conf. II
260573.6400 0.2168 -4.6206 3 76.1332171 89503 30328 919 27 720 a-Alanine, conf. II
260634.8327 0.3560 -4.3995 3 125.0362207 89503 303341717 331618 a-Alanine, conf. II
260660.7591 1.7162 -3.3433 3 272.9503279 89503 303463313 453312 a-Alanine, conf. II
260660.7591 1.7162 -3.3433 3 272.9503279 89503 303463314 453313 a-Alanine, conf. II
260663.6385 1.2691 -3.0523 3 222.6110273 89503 303452224 442223 a-Alanine, conf. II
260687.8286 1.2819 -3.0522 3 222.6116273 89503 303452223 442222 a-Alanine, conf. II
260704.2632 0.2596 -4.3385 3 97.7009189 89503 303311219 301020 a-Alanine, conf. II
260786.5959 0.9038 -5.0359 3 59.6834135 89503 3032217 5 2115 6 a-Alanine, conf. II
260786.5979 0.9038 -5.0359 3 59.6834135 89503 3032217 6 2115 7 a-Alanine, conf. II
260795.7428 1.7756 -2.9978 3 206.5273267 89503 303441925 431924 a-Alanine, conf. II
260880.4958129.5786 -4.9863 3 663.9586537 89503 30389 683 89 684 a-Alanine, conf. II
260880.4958129.5786 -4.9863 3 663.9586537 89503 30389 783 89 584 a-Alanine, conf. II
260915.9803 0.3733 -4.2031 3 106.3970195 89503 303321418 311219 a-Alanine, conf. II
260920.1305 6.6657 -2.9031 3 242.1562333 89503 30355 253 54 252 a-Alanine, conf. II
260920.1305 6.6657 -4.0188 3 242.1562333 89503 30355 253 54 352 a-Alanine, conf. II
260920.1305 6.6657 -4.0188 3 242.1562333 89503 30355 353 54 252 a-Alanine, conf. II
260920.1305 6.6657 -2.9031 3 242.1562333 89503 30355 353 54 352 a-Alanine, conf. II
260922.1027 0.4563 -2.9714 3 201.8192267 89503 303441628 431627 a-Alanine, conf. II
260925.5530 0.8680 -4.2775 3 225.6176291 89503 303481236 471335 a-Alanine, conf. II
260925.5870 0.8680 -2.9742 3 225.6176291 89503 303481336 471335 a-Alanine, conf. II
260925.6414 0.8680 -2.9742 3 225.6176291 89503 303481236 471235 a-Alanine, conf. II
260925.6753 0.8680 -4.2775 3 225.6176291 89503 303481336 471235 a-Alanine, conf. II
260940.1181 1.6554 -3.3061 3 268.3515279 89503 303463214 453213 a-Alanine, conf. II
260940.1181 1.6554 -3.3061 3 268.3515279 89503 303463215 453214 a-Alanine, conf. II
260983.7994 0.2565 -4.4549 3 84.8617177 89503 303291218 281019 a-Alanine, conf. II
261062.8440 1.1588 -2.9586 3 194.5672261 89503 303431726 421725 a-Alanine, conf. II
261241.1838 0.3715 -4.4861 3 82.4761171 89503 303281415 271216 a-Alanine, conf. II
261250.0304 1.5996 -3.2715 3 263.9075279 89503 303463115 453114 a-Alanine, conf. II
261250.0304 1.5996 -3.2715 3 263.9075279 89503 303463116 453115 a-Alanine, conf. II
261311.7314 2.9826 -2.9280 3 240.2540321 89503 30353 548 52 547 a-Alanine, conf. II
261311.7314 2.9826 -4.0793 3 240.2540321 89503 30353 548 52 647 a-Alanine, conf. II
261311.7314 2.9826 -4.0793 3 240.2540321 89503 30353 648 52 547 a-Alanine, conf. II
261311.7314 2.9826 -2.9280 3 240.2540321 89503 30353 648 52 647 a-Alanine, conf. II
261372.1395127.2390 -4.9999 3 749.1254561 89503 30393 984 93 985 a-Alanine, conf. II
261372.1395127.2390 -4.9999 3 749.1254561 89503 303931084 93 885 a-Alanine, conf. II
261451.0508 0.5493 -2.9820 3 210.7229273 89503 303451729 441728 a-Alanine, conf. II
261469.1111 0.9812 -4.1582 3 113.5929183 89503 3033022 8 2921 9 a-Alanine, conf. II
261469.1111 0.9812 -4.1582 3 113.5929183 89503 3033022 9 2921 8 a-Alanine, conf. II
261595.4973 1.5493 -3.2391 3 259.6199279 89503 303463016 453015 a-Alanine, conf. II
261595.4973 1.5493 -3.2391 3 259.6199279 89503 303463017 453016 a-Alanine, conf. II
261599.1827120.1363 -5.0733 3 838.0130585 89503 303971285 971286 a-Alanine, conf. II
261599.1827120.1363 -5.0733 3 838.0130585 89503 303971385 971186 a-Alanine, conf. II
261645.5076 0.2195 -4.6182 3 76.1342171 89503 303281019 27 820 a-Alanine, conf. II
261690.5656 1.3396 -2.9499 3 236.5061309 89503 30351 843 50 842 a-Alanine, conf. II
261690.5656 1.3396 -4.1493 3 236.5061309 89503 30351 843 50 942 a-Alanine, conf. II
261690.5656 1.3396 -4.1493 3 236.5061309 89503 30351 943 50 842 a-Alanine, conf. II
261690.5656 1.3396 -2.9499 3 236.5061309 89503 30351 943 50 942 a-Alanine, conf. II
261735.7442132.2101 -5.0101 3 641.0570531 89503 30388 583 88 584 a-Alanine, conf. II
261735.7442132.2101 -5.0101 3 641.0570531 89503 30388 683 88 484 a-Alanine, conf. II
261920.9555 1.3030 -3.0303 3 219.8715273 89503 303452125 442124 a-Alanine, conf. II
261934.2216 1.9227 -4.0469 3 110.8868165 89503 3032726 1 2625 2 a-Alanine, conf. II
261934.2216 1.9227 -4.0469 3 110.8868165 89503 3032726 2 2625 1 a-Alanine, conf. II
261982.7410 1.5049 -3.2086 3 255.4904279 89503 303462917 452916 a-Alanine, conf. II
261982.7410 1.5049 -3.2086 3 255.4904279 89503 303462918 452917 a-Alanine, conf. II
262107.7058 1.3869 -3.0297 3 219.8761273 89503 303452124 442123 a-Alanine, conf. II
262124.6526 0.6733 -4.8140 3 66.2159147 89503 3032416 8 2314 9 a-Alanine, conf. II
262125.5676 0.6733 -4.8140 3 66.2159147 89503 3032416 9 231410 a-Alanine, conf. II
262134.8489 0.4915 -4.6389 3 73.7955159 89503 303261511 251312 a-Alanine, conf. II
262192.2819 0.9711 -4.2368 3 230.8414297 89503 303491138 481237 a-Alanine, conf. II
262192.2827 0.9711 -2.9674 3 230.8414297 89503 303491238 481237 a-Alanine, conf. II
262192.2840 0.9711 -2.9674 3 230.8414297 89503 303491138 481137 a-Alanine, conf. II
262192.2848 0.9711 -4.2368 3 230.8414297 89503 303491238 481137 a-Alanine, conf. II
262223.0258 0.5890 -4.4392 3 217.0467279 89503 303461531 451630 a-Alanine, conf. II
262257.8914 0.4913 -4.6386 3 73.7914159 89503 303261512 251313 a-Alanine, conf. II
262298.7660 8.7150 -2.8925 3 245.2682339 89503 30356 155 55 154 a-Alanine, conf. II
262298.7660 8.7150 -3.9983 3 245.2682339 89503 30356 155 55 254 a-Alanine, conf. II
262298.7660 8.7150 -3.9983 3 245.2682339 89503 30356 255 55 154 a-Alanine, conf. II
262298.7660 8.7150 -2.8925 3 245.2682339 89503 30356 255 55 254 a-Alanine, conf. II
262308.1759131.2590 -4.9935 3 725.2832555 89503 30392 884 92 885 a-Alanine, conf. II
262308.1759131.2590 -4.9935 3 725.2832555 89503 30392 984 92 785 a-Alanine, conf. II
262419.6403 1.4670 -3.1799 3 251.5214279 89503 303462818 452817 a-Alanine, conf. II
262419.6403 1.4670 -3.1799 3 251.5214279 89503 303462819 452818 a-Alanine, conf. II
262470.3383 0.5962 -2.9798 3 217.0467279 89503 303461631 451630 a-Alanine, conf. II
262566.9338134.4663 -5.0523 3 618.3855525 89503 30387 483 87 484 a-Alanine, conf. II
262566.9338134.4663 -5.0523 3 618.3855525 89503 30387 583 87 384 a-Alanine, conf. II
262621.6372125.8158 -5.0513 3 813.2411579 89503 303961185 961186 a-Alanine, conf. II
262621.6372125.8158 -5.0513 3 813.2411579 89503 303961285 961086 a-Alanine, conf. II
262673.1546 0.8004 -4.1920 3 116.3938189 89503 303312111 302010 a-Alanine, conf. II
262673.1548 0.8004 -4.1920 3 116.3938189 89503 303312110 302011 a-Alanine, conf. II
262677.4684 0.1998 -4.4445 3 90.3283183 89503 303301119 29 920 a-Alanine, conf. II
262695.2634 0.3776 -4.5114 3 129.7395213 89503 303351619 341520 a-Alanine, conf. II
262711.4946 4.1143 -2.9182 3 243.9783327 89503 30354 450 53 449 a-Alanine, conf. II
262711.4946 4.1143 -4.0562 3 243.9783327 89503 30354 450 53 549 a-Alanine, conf. II
262711.4946 4.1143 -4.0562 3 243.9783327 89503 30354 550 53 449 a-Alanine, conf. II
262711.4946 4.1143 -2.9182 3 243.9783327 89503 30354 550 53 549 a-Alanine, conf. II
262748.7405 0.6096 -2.9787 3 217.0292279 89503 303461531 451530 a-Alanine, conf. II
262764.5023 30.7384 -5.0827 3 447.5448393 89503 303652441 642638 a-Alanine, conf. II
262839.4628 0.2087 -4.5305 3 83.1317177 89503 303291019 28 820 a-Alanine, conf. II
262916.3868 1.4367 -3.1527 3 247.7157279 89503 303462720 452719 a-Alanine, conf. II
262916.3870 1.4367 -3.1527 3 247.7157279 89503 303462719 452718 a-Alanine, conf. II
262996.0531 0.6346 -4.4363 3 217.0292279 89503 303461631 451530 a-Alanine, conf. II
263087.0668 1.7631 -2.9410 3 240.8548315 89503 30352 745 51 744 a-Alanine, conf. II
263087.0668 1.7631 -4.1219 3 240.8548315 89503 30352 745 51 844 a-Alanine, conf. II
263087.0668 1.7631 -4.1219 3 240.8548315 89503 30352 845 51 744 a-Alanine, conf. II
263087.0668 1.7631 -2.9410 3 240.8548315 89503 30352 845 51 844 a-Alanine, conf. II
263134.9659 0.1940 -4.8362 3 67.3560165 89503 30327 720 26 521 a-Alanine, conf. II
263161.9581 0.1937 -4.8362 3 67.3560165 89503 30327 820 26 621 a-Alanine, conf. II
263218.1216134.8359 -4.9946 3 701.6675549 89503 30391 784 91 785 a-Alanine, conf. II
263218.1216134.8359 -4.9946 3 701.6675549 89503 30391 884 91 685 a-Alanine, conf. II
263242.0064 1.6411 -4.0710 3 112.4521171 89503 3032825 3 2724 4 a-Alanine, conf. II
263242.0064 1.6411 -4.0710 3 112.4521171 89503 3032825 4 2724 3 a-Alanine, conf. II
263255.0988 0.7237 -4.3643 3 223.0771285 89503 303471433 461532 a-Alanine, conf. II
263267.5262 0.7252 -2.9774 3 223.0771285 89503 303471533 461532 a-Alanine, conf. II
263283.9765 0.7267 -2.9773 3 223.0762285 89503 303471433 461432 a-Alanine, conf. II
263296.4038 0.7282 -4.3641 3 223.0762285 89503 303471533 461432 a-Alanine, conf. II
263299.6161 1.2900 -3.0093 3 217.3488273 89503 303452026 442025 a-Alanine, conf. II
263486.5171 1.4153 -3.1270 3 244.0768279 89503 303462621 452620 a-Alanine, conf. II
263486.5211 1.4153 -3.1270 3 244.0768279 89503 303462620 452619 a-Alanine, conf. II
263520.8828 1.0781 -4.2012 3 235.8462303 89503 303501040 491139 a-Alanine, conf. II
263520.8828 1.0781 -2.9600 3 235.8462303 89503 303501140 491139 a-Alanine, conf. II
263520.8829 1.0781 -2.9600 3 235.8462303 89503 303501040 491039 a-Alanine, conf. II
263520.8829 1.0781 -4.2012 3 235.8462303 89503 303501140 491039 a-Alanine, conf. II
263615.7110130.9749 -5.0335 3 788.6923573 89503 303951085 951086 a-Alanine, conf. II
263615.7110130.9749 -5.0335 3 788.6923573 89503 303951185 95 986 a-Alanine, conf. II
263627.7479 10.1600 -5.0093 3 434.6778387 89503 303642440 632637 a-Alanine, conf. II
263666.2785 11.1919 -2.8819 3 248.1925345 89503 30357 057 56 056 a-Alanine, conf. II
263666.2785 11.1919 -3.9785 3 248.1925345 89503 30357 057 56 156 a-Alanine, conf. II
263666.2785 11.1919 -3.9785 3 248.1925345 89503 30357 157 56 056 a-Alanine, conf. II
263666.2785 11.1919 -2.8819 3 248.1925345 89503 30357 157 56 156 a-Alanine, conf. II
263761.3966 0.7876 -2.9821 3 212.8758273 89503 303451828 441827 a-Alanine, conf. II
263788.6604 0.6452 -4.2307 3 119.5757195 89503 303322013 311912 a-Alanine, conf. II
263788.6798 0.6452 -4.2307 3 119.5757195 89503 303322012 311913 a-Alanine, conf. II
264070.6229 7.7885 -4.8959 3 253.7430297 89503 303491930 482029 a-Alanine, conf. II
264102.7912137.9883 -5.0051 3 678.2796543 89503 30390 684 90 685 a-Alanine, conf. II
264102.7912137.9883 -5.0051 3 678.2796543 89503 30390 784 90 585 a-Alanine, conf. II
264104.9591 5.5677 -2.9083 3 247.5132333 89503 30355 352 54 351 a-Alanine, conf. II
264104.9591 5.5677 -4.0344 3 247.5132333 89503 30355 352 54 451 a-Alanine, conf. II
264104.9591 5.5677 -4.0344 3 247.5132333 89503 30355 452 54 351 a-Alanine, conf. II
264104.9591 5.5677 -2.9083 3 247.5132333 89503 30355 452 54 451 a-Alanine, conf. II
264148.6133 1.4046 -3.1024 3 240.6093279 89503 303462522 452521 a-Alanine, conf. II
264148.6684 1.4047 -3.1024 3 240.6093279 89503 303462521 452520 a-Alanine, conf. II
264179.5259 0.5454 -2.9707 3 210.5227273 89503 303451629 441628 a-Alanine, conf. II
264241.3925 1.1164 -2.9917 3 215.0384273 89503 303451927 441926 a-Alanine, conf. II
264291.8962 0.8571 -4.3088 3 228.8248291 89503 303481335 471434 a-Alanine, conf. II
264292.3543 0.8572 -2.9731 3 228.8248291 89503 303481435 471434 a-Alanine, conf. II
264293.0353 0.8573 -2.9731 3 228.8248291 89503 303481335 471334 a-Alanine, conf. II
264293.4934 0.8574 -4.3087 3 228.8248291 89503 303481435 471334 a-Alanine, conf. II
264295.2038 2.9982 -4.5548 3 355.0408285 89503 3034746 1 4646 0 a-Alanine, conf. II
264295.2038 2.9982 -4.5548 3 355.0408285 89503 3034746 2 4646 1 a-Alanine, conf. II
264396.2905 2.8879 -4.2445 3 348.5052285 89503 3034745 2 4645 1 a-Alanine, conf. II
264396.2905 2.8879 -4.2445 3 348.5052285 89503 3034745 3 4645 2 a-Alanine, conf. II
264403.2625 0.8629 -4.5208 3 219.4440279 89503 303461630 451729 a-Alanine, conf. II
264425.7418 1.7031 -3.0055 3 217.3827273 89503 303452025 442024 a-Alanine, conf. II
264488.3550 2.4243 -2.9319 3 245.0088321 89503 30353 647 52 646 a-Alanine, conf. II
264488.3550 2.4243 -4.0965 3 245.0088321 89503 30353 647 52 746 a-Alanine, conf. II
264488.3550 2.4243 -4.0965 3 245.0088321 89503 30353 747 52 646 a-Alanine, conf. II
264488.3550 2.4243 -2.9319 3 245.0088321 89503 30353 747 52 746 a-Alanine, conf. II
264504.8776 2.7809 -4.0595 3 342.1163285 89503 3034744 3 4644 2 a-Alanine, conf. II
264504.8776 2.7809 -4.0595 3 342.1163285 89503 3034744 4 4644 3 a-Alanine, conf. II
264538.2072 1.3862 -4.0969 3 114.3681177 89503 3032924 5 2823 6 a-Alanine, conf. II
264538.2072 1.3862 -4.0969 3 114.3681177 89503 3032924 6 2823 5 a-Alanine, conf. II
264582.3343135.6350 -5.0206 3 764.3678567 89503 30394 985 94 986 a-Alanine, conf. II
264582.3343135.6350 -5.0206 3 764.3678567 89503 303941085 94 886 a-Alanine, conf. II
264621.6876 2.6775 -3.9260 3 335.8746285 89503 3034743 4 4643 3 a-Alanine, conf. II
264621.6876 2.6775 -3.9260 3 335.8746285 89503 3034743 5 4643 4 a-Alanine, conf. II
264693.7878 23.8386 -5.0683 3 449.8907393 89503 303652540 642737 a-Alanine, conf. II
264747.5370 2.5775 -3.8208 3 329.7804285 89503 3034742 5 4642 4 a-Alanine, conf. II
264747.5370 2.5775 -3.8208 3 329.7804285 89503 3034742 6 4642 5 a-Alanine, conf. II
264749.8652 0.5176 -4.2768 3 123.1566201 89503 303331915 321814 a-Alanine, conf. II
264751.0083 0.5175 -4.2768 3 123.1566201 89503 303331914 321815 a-Alanine, conf. II
264799.9779128.3672 -5.0958 3 854.1742591 89503 303981286 981287 a-Alanine, conf. II
264799.9779128.3672 -5.0958 3 854.1742591 89503 303981386 981187 a-Alanine, conf. II
264883.3516 2.4812 -3.7337 3 323.8339285 89503 3034741 6 4641 5 a-Alanine, conf. II
264883.3516 2.4812 -3.7337 3 323.8339285 89503 3034741 7 4641 6 a-Alanine, conf. II
264885.7198 1.2351 -2.9522 3 240.6419309 89503 30351 942 50 941 a-Alanine, conf. II
264885.7198 1.2351 -4.1695 3 240.6419309 89503 30351 942 501041 a-Alanine, conf. II
264885.7198 1.2351 -4.1695 3 240.6419309 89503 303511042 50 941 a-Alanine, conf. II
264885.7198 1.2351 -2.9522 3 240.6419309 89503 303511042 501041 a-Alanine, conf. II
264929.1605 1.4078 -3.0789 3 237.3191279 89503 303462423 452422 a-Alanine, conf. II
264929.8187 1.4083 -3.0789 3 237.3191279 89503 303462422 452421 a-Alanine, conf. II
264962.9582140.7345 -5.0285 3 655.1204537 89503 30389 584 89 585 a-Alanine, conf. II
264962.9582140.7345 -5.0285 3 655.1204537 89503 30389 684 89 485 a-Alanine, conf. II
265019.8981 0.3711 -4.4164 3 131.6605213 89503 303351719 341618 a-Alanine, conf. II
265030.1860 2.3886 -3.6592 3 318.0356285 89503 3034740 7 4640 6 a-Alanine, conf. II
265030.1860 2.3886 -3.6592 3 318.0356285 89503 3034740 8 4640 7 a-Alanine, conf. II
265189.2465 2.2998 -3.5939 3 312.3860285 89503 3034739 8 4639 7 a-Alanine, conf. II
265189.2465 2.2998 -3.5939 3 312.3860285 89503 3034739 9 4639 8 a-Alanine, conf. II
265361.9204 2.2149 -3.5359 3 306.8856285 89503 3034738 9 4638 8 a-Alanine, conf. II
265361.9204 2.2149 -3.5359 3 306.8856285 89503 303473810 4638 9 a-Alanine, conf. II
265407.6248 0.4228 -4.3347 3 127.1648207 89503 303341817 331716 a-Alanine, conf. II
265450.0617 0.4217 -4.3346 3 127.1636207 89503 303341816 331717 a-Alanine, conf. II
265479.6737 0.9779 -4.2635 3 234.3211297 89503 303491237 481336 a-Alanine, conf. II
265479.6866 0.9779 -2.9676 3 234.3211297 89503 303491337 481336 a-Alanine, conf. II
265479.7077 0.9779 -2.9676 3 234.3211297 89503 303491237 481236 a-Alanine, conf. II
265479.7206 0.9779 -4.2635 3 234.3211297 89503 303491337 481236 a-Alanine, conf. II
265490.0064 7.3817 -2.8983 3 250.8596339 89503 30356 254 55 253 a-Alanine, conf. II
265490.0064 7.3817 -4.0135 3 250.8596339 89503 30356 254 55 353 a-Alanine, conf. II
265490.0064 7.3817 -4.0135 3 250.8596339 89503 30356 354 55 253 a-Alanine, conf. II
265490.0064 7.3817 -2.8983 3 250.8596339 89503 30356 354 55 353 a-Alanine, conf. II
265522.3868139.8169 -5.0138 3 740.2686561 89503 30393 885 93 886 a-Alanine, conf. II
265522.3868139.8169 -5.0138 3 740.2686561 89503 30393 985 93 786 a-Alanine, conf. II
265549.8111 2.1340 -3.4835 3 301.5350285 89503 303473710 4637 9 a-Alanine, conf. II
265549.8111 2.1340 -3.4835 3 301.5350285 89503 303473711 463710 a-Alanine, conf. II
265754.7841 2.0572 -3.4358 3 296.3347285 89503 303473611 463610 a-Alanine, conf. II
265754.7841 2.0572 -3.4358 3 296.3347285 89503 303473612 463611 a-Alanine, conf. II
265769.4872 1.8775 -2.9619 3 204.6873267 89503 303441826 431825 a-Alanine, conf. II
265799.3583143.0920 -5.0702 3 632.1909531 89503 30388 484 88 485 a-Alanine, conf. II
265799.3583143.0920 -5.0702 3 632.1909531 89503 30388 584 88 385 a-Alanine, conf. II
265812.8010 1.1572 -4.1251 3 116.6404183 89503 3033023 7 2922 8 a-Alanine, conf. II
265812.8010 1.1572 -4.1251 3 116.6404183 89503 3033023 8 2922 7 a-Alanine, conf. II
265814.2842 0.3969 -4.1509 3 112.8270201 89503 303331419 321220 a-Alanine, conf. II
265825.3626134.2622 -5.0734 3 829.1461585 89503 303971186 971187 a-Alanine, conf. II
265825.3626134.2622 -5.0734 3 829.1461585 89503 303971286 971087 a-Alanine, conf. II
265866.6009 1.4289 -3.0563 3 234.2142279 89503 303462324 452323 a-Alanine, conf. II
265873.3331 1.4332 -3.0563 3 234.2144279 89503 303462323 452322 a-Alanine, conf. II
265889.3064 3.3601 -2.9227 3 248.9704327 89503 30354 549 53 548 a-Alanine, conf. II
265889.3064 3.3601 -4.0727 3 248.9704327 89503 30354 549 53 648 a-Alanine, conf. II
265889.3064 3.3601 -4.0727 3 248.9704327 89503 30354 649 53 548 a-Alanine, conf. II
265889.3064 3.3601 -2.9227 3 248.9704327 89503 30354 649 53 648 a-Alanine, conf. II
265979.0236 1.9849 -3.3920 3 291.2857285 89503 303473512 463511 a-Alanine, conf. II
265979.0236 1.9849 -3.3920 3 291.2857285 89503 303473513 463512 a-Alanine, conf. II
265988.5538 0.3663 -4.4140 3 131.6357213 89503 303351718 341619 a-Alanine, conf. II
266093.1940 0.8784 -4.9453 3 63.8573141 89503 3032317 6 2215 7 a-Alanine, conf. II
266093.2041 0.8784 -4.9453 3 63.8573141 89503 3032317 7 2215 8 a-Alanine, conf. II
266100.4559 0.5955 -2.9747 3 219.4440279 89503 303461730 451729 a-Alanine, conf. II
266131.5211 0.6346 -4.6767 3 127.9775213 89503 303351520 341421 a-Alanine, conf. II
266194.9778 0.2317 -4.5254 3 83.1359177 89503 303291119 28 920 a-Alanine, conf. II
266217.6950 0.3713 -4.4371 3 87.9262177 89503 303291416 281217 a-Alanine, conf. II
266225.1073 1.9171 -3.3516 3 286.3888285 89503 303473413 463412 a-Alanine, conf. II
266225.1073 1.9171 -3.3516 3 286.3888285 89503 303473414 463413 a-Alanine, conf. II
266243.1309 2.1939 -4.0199 3 114.5506165 89503 3032727 0 2626 1 a-Alanine, conf. II
266243.1309 2.1939 -4.0199 3 114.5506165 89503 3032727 1 2626 0 a-Alanine, conf. II
266271.1550 1.5167 -2.9440 3 245.2351315 89503 30352 844 51 843 a-Alanine, conf. II
266271.1550 1.5167 -4.1407 3 245.2351315 89503 30352 844 51 943 a-Alanine, conf. II
266271.1550 1.5167 -4.1407 3 245.2351315 89503 30352 944 51 843 a-Alanine, conf. II
266271.1550 1.5167 -2.9440 3 245.2351315 89503 30352 944 51 943 a-Alanine, conf. II
266436.7015143.5405 -5.0144 3 716.3958555 89503 30392 785 92 786 a-Alanine, conf. II
266436.7015143.5405 -5.0144 3 716.3958555 89503 30392 885 92 686 a-Alanine, conf. II
266496.1030 1.8541 -3.3141 3 281.6450285 89503 303473314 463313 a-Alanine, conf. II
266496.1030 1.8541 -3.3141 3 281.6450285 89503 303473315 463314 a-Alanine, conf. II
266524.6818 0.4792 -4.5812 3 78.8231165 89503 303271512 261313 a-Alanine, conf. II
266587.4189 0.8940 -2.9482 3 203.2753267 89503 303441727 431726 a-Alanine, conf. II
266698.5124 0.6364 -4.8333 3 119.6450207 89503 303341420 331321 a-Alanine, conf. II
266760.6899 1.0865 -4.2249 3 239.5871303 89503 303501139 491238 a-Alanine, conf. II
266760.6901 1.0865 -2.9612 3 239.5871303 89503 303501239 491238 a-Alanine, conf. II
266760.6906 1.0865 -2.9612 3 239.5871303 89503 303501139 491138 a-Alanine, conf. II
266760.6909 1.0865 -4.2249 3 239.5871303 89503 303501239 491138 a-Alanine, conf. II
266795.6986 1.7963 -3.2790 3 277.0555285 89503 303473215 463214 a-Alanine, conf. II
266795.6986 1.7963 -3.2790 3 277.0555285 89503 303473216 463215 a-Alanine, conf. II
266799.9419 0.6829 -4.4119 3 225.8018285 89503 303471532 461631 a-Alanine, conf. II
266822.7924139.6198 -5.0551 3 804.3409579 89503 303961086 961087 a-Alanine, conf. II
266822.7924139.6198 -5.0551 3 804.3409579 89503 303961186 96 987 a-Alanine, conf. II
266847.6745 0.4784 -4.5804 3 78.8121165 89503 303271513 261314 a-Alanine, conf. II
266865.0236 9.6002 -2.8881 3 254.0176345 89503 30357 156 56 155 a-Alanine, conf. II
266865.0236 9.6002 -3.9936 3 254.0176345 89503 30357 156 56 255 a-Alanine, conf. II
266865.0236 9.6002 -3.9936 3 254.0176345 89503 30357 256 56 155 a-Alanine, conf. II
266865.0236 9.6002 -2.8881 3 254.0176345 89503 30357 256 56 255 a-Alanine, conf. II
266913.3416 0.6908 -2.9735 3 225.8018285 89503 303471632 461631 a-Alanine, conf. II
266925.2731 1.4367 -4.5730 3 201.8192267 89503 303441728 431627 a-Alanine, conf. II
267009.8997 1.4690 -3.0342 3 231.3058279 89503 303462225 452224 a-Alanine, conf. II
267047.2545 0.6998 -2.9731 3 225.7935285 89503 303471532 461531 a-Alanine, conf. II
267049.8853 0.9537 -4.1562 3 119.2761189 89503 3033122 9 302110 a-Alanine, conf. II
267049.8853 0.9537 -4.1562 3 119.2761189 89503 303312210 3021 9 a-Alanine, conf. II
267067.7879 1.5013 -3.0341 3 231.3072279 89503 303462224 452223 a-Alanine, conf. II
267128.3780 1.7439 -3.2462 3 272.6219285 89503 303473116 463115 a-Alanine, conf. II
267128.3780 1.7439 -3.2462 3 272.6219285 89503 303473117 463116 a-Alanine, conf. II
267160.6542 0.7120 -4.4106 3 225.7935285 89503 303471632 461531 a-Alanine, conf. II
267171.1116 0.6523 -4.7447 3 70.8023153 89503 3032516 9 241410 a-Alanine, conf. II
267174.3409 0.6523 -4.7447 3 70.8022153 89503 303251610 241411 a-Alanine, conf. II
267286.2627 4.6030 -2.9133 3 252.7414333 89503 30355 451 54 450 a-Alanine, conf. II
267286.2627 4.6030 -4.0504 3 252.7414333 89503 30355 451 54 550 a-Alanine, conf. II
267286.2627 4.6030 -4.0504 3 252.7414333 89503 30355 551 54 450 a-Alanine, conf. II
267286.2627 4.6030 -2.9133 3 252.7414333 89503 30355 551 54 550 a-Alanine, conf. II
267326.0691146.8251 -5.0245 3 692.7505549 89503 30391 685 91 686 a-Alanine, conf. II
267326.0691146.8251 -5.0245 3 692.7505549 89503 30391 785 91 586 a-Alanine, conf. II
267454.2212 1.1607 -4.5364 3 210.5227273 89503 303451729 441628 a-Alanine, conf. II
267499.6660 1.6975 -3.2154 3 268.3458285 89503 303473017 463016 a-Alanine, conf. II
267499.6660 1.6975 -3.2154 3 268.3458285 89503 303473018 463017 a-Alanine, conf. II
267553.9209 1.8866 -4.0429 3 115.9640171 89503 3032826 2 2725 3 a-Alanine, conf. II
267553.9209 1.8866 -4.0429 3 115.9640171 89503 3032826 3 2725 2 a-Alanine, conf. II
267667.0952 2.0002 -2.9356 3 249.6304321 89503 30353 746 52 745 a-Alanine, conf. II
267667.0952 2.0002 -4.1143 3 249.6304321 89503 30353 746 52 845 a-Alanine, conf. II
267667.0952 2.0002 -4.1143 3 249.6304321 89503 30353 846 52 745 a-Alanine, conf. II
267667.0952 2.0002 -2.9356 3 249.6304321 89503 30353 846 52 845 a-Alanine, conf. II
267677.9578 0.6175 -2.9686 3 219.3347279 89503 303461630 451629 a-Alanine, conf. II
267751.7471 0.8309 -4.3448 3 231.8588291 89503 303481434 471533 a-Alanine, conf. II
267757.0026 0.8316 -2.9711 3 231.8588291 89503 303481534 471533 a-Alanine, conf. II
267764.1745 0.8325 -2.9711 3 231.8584291 89503 303481434 471433 a-Alanine, conf. II
267769.4300 0.8332 -4.3448 3 231.8584291 89503 303481534 471433 a-Alanine, conf. II
267793.1683144.4620 -5.0418 3 779.7597573 89503 30395 986 95 987 a-Alanine, conf. II
267793.1683144.4620 -5.0418 3 779.7597573 89503 303951086 95 887 a-Alanine, conf. II
267899.9007 1.6147 -4.6047 3 193.2269261 89503 303431727 421626 a-Alanine, conf. II
267916.4781 1.6577 -3.1863 3 264.2292285 89503 303472918 462917 a-Alanine, conf. II
267916.4781 1.6577 -3.1863 3 264.2292285 89503 303472919 462918 a-Alanine, conf. II
268096.4836 1.2051 -2.9541 3 244.6363309 89503 303511041 501040 a-Alanine, conf. II
268096.4836 1.2051 -4.1910 3 244.6363309 89503 303511041 501140 a-Alanine, conf. II
268096.4836 1.2051 -4.1910 3 244.6363309 89503 303511141 501040 a-Alanine, conf. II
268096.4836 1.2051 -2.9541 3 244.6363309 89503 303511141 501140 a-Alanine, conf. II
268139.8848 0.2162 -4.7163 3 74.1875171 89503 30328 820 27 621 a-Alanine, conf. II
268191.2407149.6893 -5.0474 3 669.3337543 89503 30390 585 90 586 a-Alanine, conf. II
268191.2407149.6893 -5.0474 3 669.3337543 89503 30390 685 90 486 a-Alanine, conf. II
268223.6276 0.7760 -4.1913 3 122.2851195 89503 303322112 312011 a-Alanine, conf. II
268223.6285 0.7760 -4.1913 3 122.2851195 89503 303322111 312012 a-Alanine, conf. II
268228.7603 12.2714 -2.8779 3 256.9874351 89503 30358 058 57 057 a-Alanine, conf. II
268228.7603 12.2714 -3.9744 3 256.9874351 89503 30358 058 57 157 a-Alanine, conf. II
268228.7603 12.2714 -3.9744 3 256.9874351 89503 30358 158 57 057 a-Alanine, conf. II
268228.7603 12.2714 -2.8779 3 256.9874351 89503 30358 158 57 157 a-Alanine, conf. II
268265.2836 0.2158 -4.7160 3 74.1876171 89503 30328 920 27 721 a-Alanine, conf. II
268368.6225 1.5030 -3.0128 3 228.6082279 89503 303462126 452125 a-Alanine, conf. II
268387.6374 1.6253 -3.1588 3 260.2748285 89503 303472819 462818 a-Alanine, conf. II
268387.6374 1.6253 -3.1588 3 260.2748285 89503 303472820 462819 a-Alanine, conf. II
268417.5204 0.3088 -4.3960 3 92.0152183 89503 303301318 291119 a-Alanine, conf. II
268676.5413 6.1885 -2.9038 3 256.3228339 89503 30356 353 55 352 a-Alanine, conf. II
268676.5413 6.1885 -4.0292 3 256.3228339 89503 30356 353 55 452 a-Alanine, conf. II
268676.5413 6.1885 -4.0292 3 256.3228339 89503 30356 453 55 352 a-Alanine, conf. II
268676.5413 6.1885 -2.9038 3 256.3228339 89503 30356 453 55 452 a-Alanine, conf. II
268737.3430148.8100 -5.0345 3 755.4037567 89503 30394 886 94 887 a-Alanine, conf. II
268737.3430148.8100 -5.0345 3 755.4037567 89503 30394 986 94 787 a-Alanine, conf. II
268747.6545 0.1809 -4.9690 3 65.2230165 89503 30327 621 26 422 a-Alanine, conf. II
268749.5406 0.1808 -4.9690 3 65.2230165 89503 30327 721 26 522 a-Alanine, conf. II
268773.5352 1.6945 -3.0115 3 228.6191279 89503 303462125 452124 a-Alanine, conf. II
268779.4487 2.2554 -2.9744 3 215.2265273 89503 303451926 441925 a-Alanine, conf. II
268825.5224 0.9711 -4.2933 3 237.6406297 89503 303491336 481435 a-Alanine, conf. II
268825.7042 0.9711 -2.9670 3 237.6406297 89503 303491436 481435 a-Alanine, conf. II
268825.9805 0.9711 -2.9670 3 237.6406297 89503 303491336 481335 a-Alanine, conf. II
268826.1623 0.9712 -4.2933 3 237.6406297 89503 303491436 481335 a-Alanine, conf. II
268856.9116 1.6067 -4.0675 3 117.7258177 89503 3032925 4 2824 5 a-Alanine, conf. II
268856.9116 1.6067 -4.0675 3 117.7258177 89503 3032925 5 2824 4 a-Alanine, conf. II
268924.6644 1.6016 -3.1327 3 256.4857285 89503 303472721 462720 a-Alanine, conf. II
268924.6653 1.6016 -3.1327 3 256.4857285 89503 303472720 462719 a-Alanine, conf. II
268986.4554 0.7704 -2.9724 3 221.6739279 89503 303461829 451828 a-Alanine, conf. II
269032.9308152.1512 -5.0886 3 646.1464537 89503 30389 485 89 486 a-Alanine, conf. II
269032.9308152.1512 -5.0886 3 646.1464537 89503 30389 585 89 386 a-Alanine, conf. II
269066.7294 2.7406 -2.9269 3 253.8312327 89503 30354 648 53 647 a-Alanine, conf. II
269066.7294 2.7406 -4.0898 3 253.8312327 89503 30354 648 53 747 a-Alanine, conf. II
269066.7294 2.7406 -4.0898 3 253.8312327 89503 30354 748 53 647 a-Alanine, conf. II
269066.7294 2.7406 -2.9269 3 253.8312327 89503 30354 748 53 747 a-Alanine, conf. II
269087.5026 2.0637 -4.6003 3 230.6463285 89503 303471730 461829 a-Alanine, conf. II
269290.2090 0.6253 -4.2320 3 125.6812201 89503 303332014 321913 a-Alanine, conf. II
269290.2808 0.6253 -4.2320 3 125.6812201 89503 303332013 321914 a-Alanine, conf. II
269331.6569 0.3908 -4.4380 3 138.5020219 89503 303361720 351619 a-Alanine, conf. II
269375.1512 0.9317 -4.5011 3 219.3347279 89503 303461730 451629 a-Alanine, conf. II
269431.2002 4.5597 -4.7276 3 242.0686291 89503 303481830 471929 a-Alanine, conf. II
269464.4777 1.3875 -2.9467 3 249.4776315 89503 30352 943 51 942 a-Alanine, conf. II
269464.4777 1.3875 -4.1606 3 249.4776315 89503 30352 943 511042 a-Alanine, conf. II
269464.4777 1.3875 -4.1606 3 249.4776315 89503 303521043 51 942 a-Alanine, conf. II
269464.4777 1.3875 -2.9467 3 249.4776315 89503 303521043 511042 a-Alanine, conf. II
269543.0451 1.5883 -3.1079 3 252.8658285 89503 303472622 462621 a-Alanine, conf. II
269543.0576 1.5883 -3.1079 3 252.8658285 89503 303472621 462620 a-Alanine, conf. II
269656.1249152.6844 -5.0346 3 731.2738561 89503 30393 786 93 787 a-Alanine, conf. II
269656.1249152.6844 -5.0346 3 731.2738561 89503 30393 886 93 687 a-Alanine, conf. II
269698.2692 1.4331 -2.9929 3 226.1315279 89503 303462027 452026 a-Alanine, conf. II
269783.5173 0.7444 -4.4788 3 228.3201285 89503 303471631 461730 a-Alanine, conf. II
269890.6445 3.2520 -4.5690 3 370.5358291 89503 3034847 1 4747 0 a-Alanine, conf. II
269890.6445 3.2520 -4.5690 3 370.5358291 89503 3034847 2 4747 1 a-Alanine, conf. II
269991.2365 3.1379 -4.2583 3 363.8567291 89503 3034846 2 4746 1 a-Alanine, conf. II
269991.2365 3.1379 -4.2583 3 363.8567291 89503 3034846 3 4746 2 a-Alanine, conf. II
269993.3748 10.9257 -4.9518 3 275.5083309 89503 303512031 502130 a-Alanine, conf. II
270030.3573148.7069 -5.0772 3 820.1388585 89503 303971087 971088 a-Alanine, conf. II
270030.3573148.7069 -5.0772 3 820.1388585 89503 303971187 97 988 a-Alanine, conf. II
270036.6614 1.0968 -4.2507 3 243.1766303 89503 303501238 491337 a-Alanine, conf. II
270036.6663 1.0968 -2.9617 3 243.1766303 89503 303501338 491337 a-Alanine, conf. II
270036.6743 1.0969 -2.9617 3 243.1766303 89503 303501238 491237 a-Alanine, conf. II
270036.6792 1.0969 -4.2507 3 243.1766303 89503 303501338 491237 a-Alanine, conf. II
270039.9897 1.5958 -4.6222 3 184.7651255 89503 303421726 411625 a-Alanine, conf. II
270058.1295 8.1574 -2.8942 3 259.7153345 89503 30357 255 56 254 a-Alanine, conf. II
270058.1295 8.1574 -4.0090 3 259.7153345 89503 30357 255 56 354 a-Alanine, conf. II
270058.1295 8.1574 -4.0090 3 259.7153345 89503 30357 355 56 254 a-Alanine, conf. II
270058.1295 8.1574 -2.8942 3 259.7153345 89503 30357 355 56 354 a-Alanine, conf. II
270064.2445 0.5431 -4.5498 3 136.5747219 89503 303361620 351521 a-Alanine, conf. II
270099.1433 3.0274 -4.0729 3 357.3245291 89503 3034845 3 4745 2 a-Alanine, conf. II
270099.1433 3.0274 -4.0729 3 357.3245291 89503 3034845 4 4745 3 a-Alanine, conf. II
270144.5307 1.3536 -4.0940 3 119.8406183 89503 3033024 6 2923 7 a-Alanine, conf. II
270144.5307 1.3536 -4.0940 3 119.8406183 89503 3033024 7 2923 6 a-Alanine, conf. II
270168.1626 0.5052 -4.2810 3 129.4848207 89503 303341916 331815 a-Alanine, conf. II
270171.7521 0.5051 -4.2810 3 129.4847207 89503 303341915 331816 a-Alanine, conf. II
270206.8421 1.1466 -2.9780 3 223.8526279 89503 303461928 451927 a-Alanine, conf. II
270215.0528 2.9205 -3.9390 3 350.9393291 89503 3034844 4 4744 3 a-Alanine, conf. II
270215.0528 2.9205 -3.9390 3 350.9393291 89503 3034844 5 4744 4 a-Alanine, conf. II
270264.3466 1.5880 -3.0841 3 249.4204285 89503 303472523 462522 a-Alanine, conf. II
270264.5076 1.5881 -3.0841 3 249.4204285 89503 303472522 462521 a-Alanine, conf. II
270339.7398 2.8173 -3.8334 3 344.7015291 89503 3034843 5 4743 4 a-Alanine, conf. II
270339.7398 2.8173 -3.8334 3 344.7015291 89503 3034843 6 4743 5 a-Alanine, conf. II
270465.2946 3.7750 -2.9181 3 257.8395333 89503 30355 550 54 549 a-Alanine, conf. II
270465.2946 3.7750 -4.0669 3 257.8395333 89503 30355 550 54 649 a-Alanine, conf. II
270465.2946 3.7750 -4.0669 3 257.8395333 89503 30355 650 54 549 a-Alanine, conf. II
270465.2946 3.7750 -2.9181 3 257.8395333 89503 30355 650 54 649 a-Alanine, conf. II
270474.0805 2.7178 -3.7460 3 338.6114291 89503 3034842 6 4742 5 a-Alanine, conf. II
270474.0805 2.7178 -3.7460 3 338.6114291 89503 3034842 7 4742 6 a-Alanine, conf. II
270532.0180 0.4708 -4.5273 3 84.0683171 89503 303281513 271314 a-Alanine, conf. II
270533.8516 0.5001 -4.9766 3 111.5470201 89503 303331320 321221 a-Alanine, conf. II
270550.2811156.1048 -5.0442 3 707.3712555 89503 30392 686 92 687 a-Alanine, conf. II
270550.2811156.1048 -5.0442 3 707.3712555 89503 30392 786 92 587 a-Alanine, conf. II
270619.0696 2.6222 -3.6710 3 332.6695291 89503 3034841 7 4741 6 a-Alanine, conf. II
270619.0696 2.6222 -3.6710 3 332.6695291 89503 3034841 8 4741 7 a-Alanine, conf. II
270628.5924 0.6686 -2.9687 3 228.3201285 89503 303471731 461730 a-Alanine, conf. II
270640.2276 0.4232 -4.3439 3 133.7300213 89503 303351818 341717 a-Alanine, conf. II
270754.0673 0.4212 -4.3436 3 133.7270213 89503 303351817 341718 a-Alanine, conf. II
270775.8412 2.5305 -3.6054 3 326.8761291 89503 3034840 8 4740 7 a-Alanine, conf. II
270775.8412 2.5305 -3.6054 3 326.8761291 89503 3034840 9 4740 8 a-Alanine, conf. II
270850.6384 1.7142 -2.9389 3 254.1170321 89503 30353 845 52 844 a-Alanine, conf. II
270850.6384 1.7142 -4.1330 3 254.1170321 89503 30353 845 52 944 a-Alanine, conf. II
270850.6384 1.7142 -4.1330 3 254.1170321 89503 30353 945 52 844 a-Alanine, conf. II
270850.6384 1.7142 -2.9389 3 254.1170321 89503 30353 945 52 944 a-Alanine, conf. II
270945.6944 2.4428 -3.5469 3 321.2318291 89503 3034839 9 4739 8 a-Alanine, conf. II
270945.6944 2.4428 -3.5469 3 321.2318291 89503 303483910 4739 9 a-Alanine, conf. II
270955.9923 0.6188 -2.9456 3 212.1677273 89503 303451728 441727 a-Alanine, conf. II
271004.5977153.7360 -5.0634 3 795.3011579 89503 30396 987 96 988 a-Alanine, conf. II
271004.5977153.7360 -5.0634 3 795.3011579 89503 303961087 96 888 a-Alanine, conf. II
271119.6777 1.6047 -3.0613 3 246.1562285 89503 303472424 462423 a-Alanine, conf. II
271121.4617 1.6061 -3.0613 3 246.1562285 89503 303472423 462422 a-Alanine, conf. II
271130.1254 2.3592 -3.4941 3 315.7371291 89503 303483810 4738 9 a-Alanine, conf. II
271130.1254 2.3592 -3.4941 3 315.7371291 89503 303483811 473810 a-Alanine, conf. II
271152.0358 0.2596 -4.4447 3 90.3455183 89503 303301219 291020 a-Alanine, conf. II
271307.9914 0.7910 -4.3883 3 234.7051291 89503 303481533 471632 a-Alanine, conf. II
271319.6059 0.4682 -4.5256 3 84.0412171 89503 303281514 271315 a-Alanine, conf. II
271329.9519 1.2119 -4.2141 3 248.4853309 89503 303511140 501239 a-Alanine, conf. II
271329.9520 1.2119 -2.9556 3 248.4853309 89503 303511240 501239 a-Alanine, conf. II
271329.9522 1.2119 -2.9556 3 248.4853309 89503 303511140 501139 a-Alanine, conf. II
271329.9523 1.2119 -4.2141 3 248.4853309 89503 303511240 501139 a-Alanine, conf. II
271330.8664 2.2800 -3.4460 3 310.3927291 89503 303483711 473710 a-Alanine, conf. II
271330.8664 2.2800 -3.4460 3 310.3927291 89503 303483712 473711 a-Alanine, conf. II
271341.6210 0.8529 -4.8644 3 68.2287147 89503 3032417 7 2315 8 a-Alanine, conf. II
271341.6663 0.8529 -4.8644 3 68.2287147 89503 3032417 8 2315 9 a-Alanine, conf. II
271358.8324 0.7963 -2.9680 3 234.7051291 89503 303481633 471632 a-Alanine, conf. II
271404.9483 1.1267 -4.1230 3 122.3146189 89503 3033123 8 3022 9 a-Alanine, conf. II
271404.9483 1.1267 -4.1230 3 122.3146189 89503 3033123 9 3022 8 a-Alanine, conf. II
271420.5412159.0903 -5.0667 3 683.6969549 89503 30391 586 91 587 a-Alanine, conf. II
271420.5412159.0903 -5.0667 3 683.6969549 89503 30391 686 91 487 a-Alanine, conf. II
271421.3911 0.8018 -2.9678 3 234.7013291 89503 303481533 471532 a-Alanine, conf. II
271429.4868 10.5552 -2.8844 3 262.9193351 89503 30358 157 57 156 a-Alanine, conf. II
271429.4868 10.5552 -3.9897 3 262.9193351 89503 30358 157 57 256 a-Alanine, conf. II
271429.4868 10.5552 -3.9897 3 262.9193351 89503 30358 257 57 156 a-Alanine, conf. II
271429.4868 10.5552 -2.8844 3 262.9193351 89503 30358 257 57 256 a-Alanine, conf. II
271472.2321 0.8080 -4.3878 3 234.7013291 89503 303481633 471532 a-Alanine, conf. II
271480.7107 0.6936 -2.9655 3 228.2635285 89503 303471631 461630 a-Alanine, conf. II
271521.3612 0.3984 -4.4331 3 138.4469219 89503 303361719 351620 a-Alanine, conf. II
271549.9366 2.2053 -3.4019 3 305.1994291 89503 303483612 473611 a-Alanine, conf. II
271549.9366 2.2053 -3.4019 3 305.1994291 89503 303483613 473612 a-Alanine, conf. II
271758.4468 0.3732 -4.3941 3 93.5672183 89503 303301417 291218 a-Alanine, conf. II
271789.7059 2.1352 -3.3611 3 300.1578291 89503 303483513 473512 a-Alanine, conf. II
271789.7059 2.1352 -3.3611 3 300.1578291 89503 303483514 473513 a-Alanine, conf. II
271823.2417 2.2209 -2.9856 3 226.2029279 89503 303462026 452025 a-Alanine, conf. II
271859.3594 5.1368 -2.9091 3 261.6571339 89503 30356 452 55 451 a-Alanine, conf. II
271859.3594 5.1368 -4.0453 3 261.6571339 89503 30356 452 55 551 a-Alanine, conf. II
271859.3594 5.1368 -4.0453 3 261.6571339 89503 30356 552 55 451 a-Alanine, conf. II
271859.3594 5.1368 -2.9091 3 261.6571339 89503 30356 552 55 551 a-Alanine, conf. II
271863.7612 2.1551 -4.0162 3 119.6240171 89503 3032827 1 2726 2 a-Alanine, conf. II
271863.7612 2.1551 -4.0162 3 119.6240171 89503 3032827 2 2726 1 a-Alanine, conf. II
271952.9981158.2546 -5.0556 3 770.6883573 89503 30395 887 95 888 a-Alanine, conf. II
271952.9981158.2546 -5.0556 3 770.6883573 89503 30395 987 95 788 a-Alanine, conf. II
272052.9784 2.0700 -3.3231 3 295.2691291 89503 303483414 473413 a-Alanine, conf. II
272052.9784 2.0700 -3.3231 3 295.2691291 89503 303483415 473414 a-Alanine, conf. II
272108.5225 0.6321 -4.6807 3 75.5914159 89503 303261610 251411 a-Alanine, conf. II
272119.0383 0.6321 -4.6807 3 75.5911159 89503 303261611 251412 a-Alanine, conf. II
272153.2642 1.6429 -3.0392 3 243.0826285 89503 303472325 462324 a-Alanine, conf. II
272170.1204 1.6545 -3.0391 3 243.0829285 89503 303472324 462323 a-Alanine, conf. II
272245.7691 2.2635 -2.9309 3 258.5589327 89503 30354 747 53 746 a-Alanine, conf. II
272245.7691 2.2635 -4.1076 3 258.5589327 89503 30354 747 53 846 a-Alanine, conf. II
272245.7691 2.2635 -4.1076 3 258.5589327 89503 30354 847 53 746 a-Alanine, conf. II
272245.7691 2.2635 -2.9309 3 258.5589327 89503 30354 847 53 846 a-Alanine, conf. II
272255.6541 0.9476 -4.3274 3 240.7902297 89503 303491435 481534 a-Alanine, conf. II
272257.8416 0.9480 -2.9656 3 240.7902297 89503 303491535 481534 a-Alanine, conf. II
272260.9097 0.9484 -2.9656 3 240.7900297 89503 303491435 481434 a-Alanine, conf. II
272263.0971 0.9487 -4.3274 3 240.7900297 89503 303491535 481434 a-Alanine, conf. II
272325.7858 0.8302 -4.4693 3 228.2635285 89503 303471731 461630 a-Alanine, conf. II
272343.1024 2.0101 -3.2877 3 290.5343291 89503 303483315 473314 a-Alanine, conf. II
272343.1024 2.0101 -3.2877 3 290.5343291 89503 303483316 473315 a-Alanine, conf. II
272490.4035 0.2254 -4.6130 3 81.2390177 89503 30329 920 28 721 a-Alanine, conf. II
272619.4108 0.9259 -4.1552 3 125.1556195 89503 303322210 312111 a-Alanine, conf. II
272619.4108 0.9259 -4.1552 3 125.1556195 89503 303322211 312110 a-Alanine, conf. II
272622.6130 1.3900 -4.6177 3 176.4674249 89503 303411725 401624 a-Alanine, conf. II
272664.1176 1.9557 -3.2545 3 285.9549291 89503 303483216 473215 a-Alanine, conf. II
272664.1176 1.9557 -3.2545 3 285.9549291 89503 303483217 473216 a-Alanine, conf. II
272671.8674 1.3445 -2.9490 3 253.5791315 89503 303521042 511041 a-Alanine, conf. II
272671.8674 1.3445 -4.1817 3 253.5791315 89503 303521042 511141 a-Alanine, conf. II
272671.8674 1.3445 -4.1817 3 253.5791315 89503 303521142 511041 a-Alanine, conf. II
272671.8674 1.3445 -2.9490 3 253.5791315 89503 303521142 511141 a-Alanine, conf. II
272789.4139 13.4318 -2.8746 3 265.9346357 89503 30359 059 58 058 a-Alanine, conf. II
272789.4139 13.4318 -3.9711 3 265.9346357 89503 30359 059 58 158 a-Alanine, conf. II
272789.4139 13.4318 -3.9711 3 265.9346357 89503 30359 159 58 058 a-Alanine, conf. II
272789.4139 13.4318 -2.8746 3 265.9346357 89503 30359 159 58 158 a-Alanine, conf. II
272834.8247 0.4330 -4.4672 3 145.5831225 89503 303371721 361620 a-Alanine, conf. II
272876.3425162.2838 -5.0553 3 746.3015567 89503 30394 787 94 788 a-Alanine, conf. II
272876.3425162.2838 -5.0553 3 746.3015567 89503 30394 887 94 688 a-Alanine, conf. II
272883.7537 5.5748 -5.0215 3 462.8245399 89503 303662541 652738 a-Alanine, conf. II
272993.8745 0.2278 -4.6118 3 81.2394177 89503 303291020 28 821 a-Alanine, conf. II
273020.9582 1.9074 -3.2233 3 281.5323291 89503 303483117 473116 a-Alanine, conf. II
273020.9582 1.9074 -3.2233 3 281.5323291 89503 303483118 473117 a-Alanine, conf. II
273021.1061 1.8056 -2.9416 3 213.5524273 89503 303451827 441826 a-Alanine, conf. II
273171.2408 1.8494 -4.0396 3 121.2329177 89503 3032926 3 2825 4 a-Alanine, conf. II
273171.2408 1.8494 -4.0396 3 121.2329177 89503 3032926 4 2825 3 a-Alanine, conf. II
273246.3886 6.8632 -2.9000 3 265.2849345 89503 30357 354 56 353 a-Alanine, conf. II
273246.3886 6.8632 -4.0247 3 265.2849345 89503 30357 354 56 453 a-Alanine, conf. II
273246.3886 6.8632 -4.0247 3 265.2849345 89503 30357 454 56 353 a-Alanine, conf. II
273246.3886 6.8632 -2.9000 3 265.2849345 89503 30357 454 56 453 a-Alanine, conf. II
273340.7333 0.4767 -4.2509 3 111.4534201 89503 303331320 321121 a-Alanine, conf. II
273364.6360 1.0945 -4.2794 3 246.6077303 89503 303501337 491436 a-Alanine, conf. II
273364.7073 1.0945 -2.9617 3 246.6077303 89503 303501437 491436 a-Alanine, conf. II
273364.8179 1.0945 -2.9617 3 246.6077303 89503 303501337 491336 a-Alanine, conf. II
273364.8891 1.0945 -4.2794 3 246.6077303 89503 303501437 491336 a-Alanine, conf. II
273410.4106 1.6971 -3.0176 3 240.2123285 89503 303472226 462225 a-Alanine, conf. II
273419.7369 1.8657 -3.1939 3 277.2686291 89503 303483018 473017 a-Alanine, conf. II
273419.7369 1.8657 -3.1939 3 277.2686291 89503 303483019 473018 a-Alanine, conf. II
273543.1878 1.7756 -3.0172 3 240.2156285 89503 303472225 462224 a-Alanine, conf. II
273643.5873 3.0897 -2.9227 3 262.8063333 89503 30355 649 54 648 a-Alanine, conf. II
273643.5873 3.0897 -4.0839 3 262.8063333 89503 30355 649 54 748 a-Alanine, conf. II
273643.5873 3.0897 -4.0839 3 262.8063333 89503 30355 749 54 648 a-Alanine, conf. II
273643.5873 3.0897 -2.9227 3 262.8063333 89503 30355 749 54 748 a-Alanine, conf. II
273757.2963 0.7519 -4.1918 3 128.3748201 89503 303332113 322012 a-Alanine, conf. II
273757.3001 0.7519 -4.1918 3 128.3748201 89503 303332112 322013 a-Alanine, conf. II
273775.3759165.8437 -5.0644 3 722.1416561 89503 30393 687 93 688 a-Alanine, conf. II
273775.3759165.8437 -5.0644 3 722.1416561 89503 30393 787 93 588 a-Alanine, conf. II
273868.1564 1.8313 -3.1660 3 273.1659291 89503 303482919 472918 a-Alanine, conf. II
273868.1564 1.8313 -3.1660 3 273.1659291 89503 303482920 472919 a-Alanine, conf. II
273937.6326 0.7678 -2.9649 3 230.6463285 89503 303471830 461829 a-Alanine, conf. II
273952.8186 0.4684 -4.4770 3 89.5402177 89503 303291514 281315 a-Alanine, conf. II
274042.4131 1.5565 -2.9420 3 258.4659321 89503 30353 944 52 943 a-Alanine, conf. II
274042.4131 1.5565 -4.1527 3 258.4659321 89503 30353 944 521043 a-Alanine, conf. II
274042.4131 1.5565 -4.1527 3 258.4659321 89503 303531044 52 943 a-Alanine, conf. II
274042.4131 1.5565 -2.9420 3 258.4659321 89503 303531044 521043 a-Alanine, conf. II
274261.8503 0.5425 -4.1436 3 119.3927207 89503 303341420 331221 a-Alanine, conf. II
274288.4519 0.2099 -4.8285 3 72.0898171 89503 30328 721 27 522 a-Alanine, conf. II
274299.2090 0.2097 -4.8284 3 72.0898171 89503 30328 821 27 622 a-Alanine, conf. II
274376.1253 1.8054 -3.1396 3 269.2272291 89503 303482821 472820 a-Alanine, conf. II
274376.1255 1.8054 -3.1396 3 269.2272291 89503 303482820 472819 a-Alanine, conf. II
274467.9376 1.5713 -4.0647 3 123.1922183 89503 3033025 5 2924 6 a-Alanine, conf. II
274467.9376 1.5713 -4.0647 3 123.1922183 89503 3033025 6 2924 5 a-Alanine, conf. II
274467.9480 0.5858 -2.9474 3 221.2059279 89503 303461729 451728 a-Alanine, conf. II
274595.9128 1.2254 -4.2392 3 252.1840309 89503 303511239 501338 a-Alanine, conf. II
274595.9146 1.2254 -2.9566 3 252.1840309 89503 303511339 501338 a-Alanine, conf. II
274595.9176 1.2254 -2.9566 3 252.1840309 89503 303511239 501238 a-Alanine, conf. II
274595.9194 1.2254 -4.2392 3 252.1840309 89503 303511339 501238 a-Alanine, conf. II
274624.4684 8.9965 -2.8908 3 268.7235351 89503 30358 256 57 255 a-Alanine, conf. II
274624.4684 8.9965 -4.0052 3 268.7235351 89503 30358 256 57 355 a-Alanine, conf. II
274624.4684 8.9965 -4.0052 3 268.7235351 89503 30358 356 57 255 a-Alanine, conf. II
274624.4684 8.9965 -2.8908 3 268.7235351 89503 30358 356 57 355 a-Alanine, conf. II
274681.7610 0.7687 -4.4456 3 237.3473291 89503 303481632 471731 a-Alanine, conf. II
274750.4406 0.3163 -5.0723 3 103.6623195 89503 303321220 311121 a-Alanine, conf. II
274765.9032 0.6072 -4.2346 3 131.9877207 89503 303342015 331914 a-Alanine, conf. II
274766.1531 0.6072 -4.2346 3 131.9877207 89503 303342014 331915 a-Alanine, conf. II
274783.2224 1.0789 -4.5908 3 168.3727243 89503 303401724 391623 a-Alanine, conf. II
274836.9436 1.7112 -2.9968 3 237.5600285 89503 303472127 462126 a-Alanine, conf. II
274956.7170 1.7896 -3.1144 3 265.4560291 89503 303482722 472721 a-Alanine, conf. II
274956.7198 1.7896 -3.1144 3 265.4560291 89503 303482721 472720 a-Alanine, conf. II
275039.6551 4.2299 -2.9142 3 266.8613339 89503 30356 551 55 550 a-Alanine, conf. II
275039.6551 4.2299 -4.0618 3 266.8613339 89503 30356 551 55 650 a-Alanine, conf. II
275039.6551 4.2299 -4.0618 3 266.8613339 89503 30356 651 55 550 a-Alanine, conf. II
275039.6551 4.2299 -2.9142 3 266.8613339 89503 30356 651 55 650 a-Alanine, conf. II
275075.5995 1.0921 -5.0087 3 66.0424141 89503 3032318 5 2216 6 a-Alanine, conf. II
275075.5998 1.0921 -5.0087 3 66.0424141 89503 3032318 6 2216 7 a-Alanine, conf. II
275089.1121 0.7629 -2.9637 3 237.3473291 89503 303481732 471731 a-Alanine, conf. II
275097.3583 0.5415 -4.5052 3 152.9176231 89503 303381722 371621 a-Alanine, conf. II
275198.6971 23.9345 -5.0538 3 476.0454405 89503 303672542 662739 a-Alanine, conf. II
275218.8959 14.6565 -5.0069 3 298.1623321 89503 303532132 522231 a-Alanine, conf. II
275428.9373 1.9337 -2.9346 3 263.1516327 89503 30354 846 53 845 a-Alanine, conf. II
275428.9373 1.9337 -4.1261 3 263.1516327 89503 30354 846 53 945 a-Alanine, conf. II
275428.9373 1.9337 -4.1261 3 263.1516327 89503 30354 946 53 845 a-Alanine, conf. II
275428.9373 1.9337 -2.9346 3 263.1516327 89503 30354 946 53 945 a-Alanine, conf. II
275484.4154 3.5237 -4.5842 3 386.3608297 89503 3034948 1 4848 0 a-Alanine, conf. II
275484.4154 3.5237 -4.5842 3 386.3608297 89503 3034948 2 4848 1 a-Alanine, conf. II
275526.8361 0.7838 -2.9621 3 237.3191291 89503 303481632 471631 a-Alanine, conf. II
275541.9073 0.4972 -4.2869 3 136.0181213 89503 303351917 341816 a-Alanine, conf. II
275552.5805 0.4968 -4.2869 3 136.0178213 89503 303351916 341817 a-Alanine, conf. II
275584.5173 3.4060 -4.2732 3 379.5384297 89503 3034947 2 4847 1 a-Alanine, conf. II
275584.5173 3.4060 -4.2732 3 379.5384297 89503 3034947 3 4847 2 a-Alanine, conf. II
275619.1192 0.3171 -4.3603 3 103.6333195 89503 303321220 311021 a-Alanine, conf. II
275627.7354 1.7861 -3.0904 3 261.8568291 89503 303482623 472622 a-Alanine, conf. II
275627.7733 1.7861 -3.0904 3 261.8568291 89503 303482622 472621 a-Alanine, conf. II
275670.5929 2.1213 -2.9941 3 237.5844285 89503 303472126 462125 a-Alanine, conf. II
275691.7576 3.2920 -4.0874 3 372.8627297 89503 3034946 3 4846 2 a-Alanine, conf. II
275691.7576 3.2920 -4.0874 3 372.8627297 89503 3034946 4 4846 3 a-Alanine, conf. II
275705.8052 0.2202 -4.5233 3 88.5043183 89503 303301020 29 821 a-Alanine, conf. II
275730.6100 0.4609 -4.4738 3 89.4787177 89503 303291515 281316 a-Alanine, conf. II
275740.2736 0.4310 -4.3561 3 140.5082219 89503 303361819 351718 a-Alanine, conf. II
275744.9188 1.3201 -4.0919 3 125.5070189 89503 3033124 7 3023 8 a-Alanine, conf. II
275744.9188 1.3201 -4.0919 3 125.5070189 89503 3033124 8 3023 7 a-Alanine, conf. II
275754.9103 0.7654 -4.5494 3 160.5155237 89503 303391723 381622 a-Alanine, conf. II
275792.3281 0.9094 -4.3677 3 243.7566297 89503 303491534 481633 a-Alanine, conf. II
275806.7916 3.1817 -3.9531 3 366.3340297 89503 3034945 4 4845 3 a-Alanine, conf. II
275806.7916 3.1817 -3.9531 3 366.3340297 89503 3034945 5 4845 4 a-Alanine, conf. II
275814.6692 0.9125 -2.9632 3 243.7566297 89503 303491634 481633 a-Alanine, conf. II
275843.1691 0.9156 -2.9631 3 243.7549297 89503 303491534 481533 a-Alanine, conf. II
275865.5102 0.9189 -4.3674 3 243.7549297 89503 303491634 481533 a-Alanine, conf. II
275895.3482 1.1373 -2.9670 3 232.8657285 89503 303471929 461928 a-Alanine, conf. II
275899.7569 1.3480 -4.2044 3 257.5359315 89503 303521141 511240 a-Alanine, conf. II
275899.7570 1.3480 -2.9509 3 257.5359315 89503 303521141 511140 a-Alanine, conf. II
275899.7570 1.3480 -2.9509 3 257.5359315 89503 303521241 511240 a-Alanine, conf. II
275899.7571 1.3480 -4.2044 3 257.5359315 89503 303521241 511140 a-Alanine, conf. II
275930.3556 3.0752 -3.8471 3 359.9527297 89503 3034944 5 4844 4 a-Alanine, conf. II
275930.3556 3.0752 -3.8471 3 359.9527297 89503 3034944 6 4844 5 a-Alanine, conf. II
275934.1872 0.8409 -4.4411 3 237.3191291 89503 303481732 471631 a-Alanine, conf. II
275985.6734 1.5425 -2.9785 3 235.1277285 89503 303472028 462027 a-Alanine, conf. II
275992.1263 11.5840 -2.8814 3 271.9732357 89503 30359 158 58 157 a-Alanine, conf. II
275992.1263 11.5840 -3.9864 3 271.9732357 89503 30359 158 58 257 a-Alanine, conf. II
275992.1263 11.5840 -3.9864 3 271.9732357 89503 30359 258 58 157 a-Alanine, conf. II
275992.1263 11.5840 -2.8814 3 271.9732357 89503 30359 258 58 257 a-Alanine, conf. II
276030.0312 0.4289 -4.3554 3 140.5006219 89503 303361818 351719 a-Alanine, conf. II
276063.2799 2.9726 -3.7593 3 353.7190297 89503 3034943 6 4843 5 a-Alanine, conf. II
276063.2799 2.9726 -3.7593 3 353.7190297 89503 3034943 7 4843 6 a-Alanine, conf. II
276070.3624 1.4749 -4.5382 3 239.7839291 89503 303481731 471830 a-Alanine, conf. II
276172.3049 2.4477 -3.9908 3 123.4315171 89503 3032828 0 2727 1 a-Alanine, conf. II
276172.3049 2.4477 -3.9908 3 123.4315171 89503 3032828 1 2727 0 a-Alanine, conf. II
276206.5044 2.8739 -3.6839 3 347.6334297 89503 3034942 7 4842 6 a-Alanine, conf. II
276206.5044 2.8739 -3.6839 3 347.6334297 89503 3034942 8 4842 7 a-Alanine, conf. II
276361.0968 2.7793 -3.6179 3 341.6963297 89503 3034941 8 4841 7 a-Alanine, conf. II
276361.0968 2.7793 -3.6179 3 341.6963297 89503 3034941 9 4841 8 a-Alanine, conf. II
276414.3413 1.7985 -3.0674 3 258.4354291 89503 303482524 472523 a-Alanine, conf. II
276414.7940 1.7989 -3.0674 3 258.4354291 89503 303482523 472522 a-Alanine, conf. II
276430.7482 5.7188 -2.9057 3 270.7254345 89503 30357 453 56 452 a-Alanine, conf. II
276430.7482 5.7188 -4.0409 3 270.7254345 89503 30357 453 56 552 a-Alanine, conf. II
276430.7482 5.7188 -4.0409 3 270.7254345 89503 30357 553 56 452 a-Alanine, conf. II
276430.7482 5.7188 -2.9057 3 270.7254345 89503 30357 553 56 552 a-Alanine, conf. II
276509.0202 0.4749 -4.4296 3 95.2514183 89503 303301515 291316 a-Alanine, conf. II
276522.9461 0.8276 -4.7912 3 72.7986153 89503 3032517 8 2415 9 a-Alanine, conf. II
276523.1313 0.8275 -4.7912 3 72.7986153 89503 3032517 9 241510 a-Alanine, conf. II
276528.2765 2.6889 -3.5590 3 335.9082297 89503 3034940 9 4840 8 a-Alanine, conf. II
276528.2765 2.6889 -3.5590 3 335.9082297 89503 303494010 4840 9 a-Alanine, conf. II
276709.4418 2.6027 -3.5059 3 330.2696297 89503 303493910 4839 9 a-Alanine, conf. II
276709.4418 2.6027 -3.5059 3 330.2696297 89503 303493911 483910 a-Alanine, conf. II
276767.7083 1.0745 -4.3118 3 249.8718303 89503 303501436 491535 a-Alanine, conf. II
276768.6055 1.0746 -2.9608 3 249.8718303 89503 303501536 491535 a-Alanine, conf. II
276769.8958 1.0748 -2.9608 3 249.8717303 89503 303501436 491435 a-Alanine, conf. II
276770.7929 1.0750 -4.3117 3 249.8717303 89503 303501536 491435 a-Alanine, conf. II
276823.0306 2.5551 -2.9270 3 267.6400333 89503 30355 748 54 747 a-Alanine, conf. II
276823.0306 2.5551 -4.1017 3 267.6400333 89503 30355 748 54 847 a-Alanine, conf. II
276823.0306 2.5551 -4.1017 3 267.6400333 89503 30355 848 54 747 a-Alanine, conf. II
276823.0306 2.5551 -2.9270 3 267.6400333 89503 30355 848 54 847 a-Alanine, conf. II
276901.7413 2.6146 -2.9512 3 224.1920279 89503 303461927 451926 a-Alanine, conf. II
276906.2058 2.5210 -3.4574 3 324.7811297 89503 303493811 483810 a-Alanine, conf. II
276906.2058 2.5210 -3.4574 3 324.7811297 89503 303493812 483811 a-Alanine, conf. II
276912.5733 0.6133 -4.6211 3 80.5852165 89503 303271611 261412 a-Alanine, conf. II
276935.0591 0.2225 -4.4438 3 95.9742189 89503 303311120 30 921 a-Alanine, conf. II
276944.3547 0.6130 -4.6210 3 80.5841165 89503 303271612 261413 a-Alanine, conf. II
276988.2803 1.0955 -4.1218 3 128.1839195 89503 3033223 9 312210 a-Alanine, conf. II
276988.2803 1.0955 -4.1218 3 128.1839195 89503 303322310 3122 9 a-Alanine, conf. II
277120.4397 2.4439 -3.4128 3 319.4434297 89503 303493712 483711 a-Alanine, conf. II
277120.4397 2.4439 -3.4128 3 319.4434297 89503 303493713 483712 a-Alanine, conf. II
277246.8597 1.4975 -2.9446 3 262.6744321 89503 303531043 521042 a-Alanine, conf. II
277246.8597 1.4975 -4.1735 3 262.6744321 89503 303531043 521142 a-Alanine, conf. II
277246.8597 1.4975 -4.1735 3 262.6744321 89503 303531143 521042 a-Alanine, conf. II
277246.8597 1.4975 -2.9446 3 262.6744321 89503 303531143 521142 a-Alanine, conf. II
277298.1803 0.3154 -4.3787 3 97.7605189 89503 303311319 301120 a-Alanine, conf. II
277348.2118 14.6774 -2.8719 3 275.0338363 89503 30360 060 59 059 a-Alanine, conf. II
277348.2118 14.6774 -3.9684 3 275.0338363 89503 30360 060 59 159 a-Alanine, conf. II
277348.2118 14.6774 -3.9684 3 275.0338363 89503 30360 160 59 059 a-Alanine, conf. II
277348.2118 14.6774 -2.8719 3 275.0338363 89503 30360 160 59 159 a-Alanine, conf. II
277353.0105 1.8320 -3.0451 3 255.1998291 89503 303482425 472424 a-Alanine, conf. II
277354.3291 2.3716 -3.3716 3 314.2573297 89503 303493613 483612 a-Alanine, conf. II
277354.3291 2.3716 -3.3716 3 314.2573297 89503 303493614 483613 a-Alanine, conf. II
277357.6645 1.8359 -3.0451 3 255.1999291 89503 303482424 472423 a-Alanine, conf. II
277440.5511 0.2375 -4.5199 3 88.5061183 89503 303301120 29 921 a-Alanine, conf. II
277481.9899 0.4863 -4.4584 3 145.4686225 89503 303371720 361621 a-Alanine, conf. II
277482.6152 2.1153 -4.0132 3 124.8887177 89503 3032927 2 2826 3 a-Alanine, conf. II
277482.6152 2.1153 -4.0132 3 124.8887177 89503 3032927 3 2826 2 a-Alanine, conf. II
277519.6484 7.1004 -4.7793 3 263.3475303 89503 303501931 492030 a-Alanine, conf. II
277610.4458 2.3043 -3.3333 3 309.2238297 89503 303493514 483513 a-Alanine, conf. II
277610.4458 2.3043 -3.3333 3 309.2238297 89503 303493515 483514 a-Alanine, conf. II
277638.2652 0.7121 -2.9497 3 230.3611285 89503 303471730 461729 a-Alanine, conf. II
277814.4676 7.5951 -2.8969 3 274.3994351 89503 30358 355 57 354 a-Alanine, conf. II
277814.4676 7.5951 -4.0211 3 274.3994351 89503 30358 355 57 454 a-Alanine, conf. II
277814.4676 7.5951 -4.0211 3 274.3994351 89503 30358 455 57 354 a-Alanine, conf. II
277814.4676 7.5951 -2.8969 3 274.3994351 89503 30358 455 57 454 a-Alanine, conf. II
277891.8414 2.2423 -3.2975 3 304.3438297 89503 303493415 483414 a-Alanine, conf. II
277891.8414 2.2423 -3.2975 3 304.3438297 89503 303493416 483415 a-Alanine, conf. II
277908.2903 1.2279 -4.2668 3 255.7262309 89503 303511338 501437 a-Alanine, conf. II
277908.3179 1.2279 -2.9570 3 255.7262309 89503 303511438 501437 a-Alanine, conf. II
277908.3616 1.2279 -2.9570 3 255.7262309 89503 303511338 501337 a-Alanine, conf. II
277908.3892 1.2279 -4.2668 3 255.7262309 89503 303511438 501337 a-Alanine, conf. II
277964.1229 0.4904 -4.3818 3 101.2139189 89503 303311516 301317 a-Alanine, conf. II
278096.9992 0.3780 -4.3585 3 99.3902189 89503 303311418 301219 a-Alanine, conf. II
278175.9470 0.8978 -4.1552 3 131.2321201 89503 303332212 322111 a-Alanine, conf. II
278175.9472 0.8978 -4.1552 3 131.2321201 89503 303332211 322112 a-Alanine, conf. II
278202.1724 2.1859 -3.2639 3 299.6187297 89503 303493316 483315 a-Alanine, conf. II
278202.1724 2.1859 -3.2639 3 299.6187297 89503 303493317 483316 a-Alanine, conf. II
278218.8820 3.4739 -2.9191 3 271.9340339 89503 30356 650 55 649 a-Alanine, conf. II
278218.8820 3.4739 -4.0789 3 271.9340339 89503 30356 650 55 749 a-Alanine, conf. II
278218.8820 3.4739 -4.0789 3 271.9340339 89503 30356 750 55 649 a-Alanine, conf. II
278218.8820 3.4739 -2.9191 3 271.9340339 89503 30356 750 55 749 a-Alanine, conf. II
278398.8235 0.5073 -4.3265 3 107.4319195 89503 303321517 311318 a-Alanine, conf. II
278465.1781 0.9873 -4.7483 3 134.7918219 89503 303361521 351422 a-Alanine, conf. II
278468.6727 0.5087 -4.2573 3 113.8932201 89503 303331518 321319 a-Alanine, conf. II
278492.5005 1.8898 -3.0235 3 252.1606291 89503 303482326 472325 a-Alanine, conf. II
278533.0668 1.9193 -3.0234 3 252.1616291 89503 303482325 472324 a-Alanine, conf. II
278545.8686 2.1356 -3.2323 3 295.0500297 89503 303493217 483216 a-Alanine, conf. II
278545.8686 2.1356 -3.2323 3 295.0500297 89503 303493218 483217 a-Alanine, conf. II
278619.4181 1.7437 -2.9380 3 267.6070327 89503 30354 945 53 944 a-Alanine, conf. II
278619.4181 1.7437 -4.1456 3 267.6070327 89503 30354 945 531044 a-Alanine, conf. II
278619.4181 1.7437 -4.1456 3 267.6070327 89503 303541045 53 944 a-Alanine, conf. II
278619.4181 1.7437 -2.9380 3 267.6070327 89503 303541045 531044 a-Alanine, conf. II
278667.6139 0.7983 -2.9592 3 239.7839291 89503 303481831 471830 a-Alanine, conf. II
278785.5511 1.8112 -4.0370 3 126.6939183 89503 3033026 4 2925 5 a-Alanine, conf. II
278785.5511 1.8112 -4.0370 3 126.6939183 89503 3033026 5 2925 4 a-Alanine, conf. II
278928.3668 2.0920 -3.2025 3 290.6393297 89503 303493118 483117 a-Alanine, conf. II
278928.3668 2.0920 -3.2025 3 290.6393297 89503 303493119 483118 a-Alanine, conf. II
279135.8846 0.8740 -4.6030 3 143.6067225 89503 303371621 361522 a-Alanine, conf. II
279156.9152 1.3642 -4.2288 3 261.3435315 89503 303521240 511339 a-Alanine, conf. II
279156.9158 1.3642 -2.9523 3 261.3435315 89503 303521340 511339 a-Alanine, conf. II
279156.9170 1.3642 -2.9523 3 261.3435315 89503 303521240 511239 a-Alanine, conf. II
279156.9177 1.3642 -4.2288 3 261.3435315 89503 303521340 511239 a-Alanine, conf. II
279186.9764 1.4900 -2.9293 3 222.6595279 89503 303461828 451827 a-Alanine, conf. II
279188.9917 9.9028 -2.8881 3 277.8840357 89503 30359 257 58 256 a-Alanine, conf. II
279188.9917 9.9028 -4.0021 3 277.8840357 89503 30359 257 58 356 a-Alanine, conf. II
279188.9917 9.9028 -4.0021 3 277.8840357 89503 30359 357 58 256 a-Alanine, conf. II
279188.9917 9.9028 -2.8881 3 277.8840357 89503 30359 357 58 356 a-Alanine, conf. II
279271.5913 0.7287 -4.1935 3 134.6637207 89503 303342114 332013 a-Alanine, conf. II
279271.6058 0.7287 -4.1935 3 134.6637207 89503 303342113 332014 a-Alanine, conf. II
279329.5663 0.8641 -4.4183 3 246.5233297 89503 303491633 481732 a-Alanine, conf. II
279356.4427 2.0557 -3.1743 3 286.3889297 89503 303493019 483018 a-Alanine, conf. II
279356.4427 2.0557 -3.1743 3 286.3889297 89503 303493020 483019 a-Alanine, conf. II
279359.7786 3.5302 -4.6340 3 251.4510297 89503 303491831 481930 a-Alanine, conf. II
279369.9110 0.4859 -4.1798 3 120.5710207 89503 303341519 331320 a-Alanine, conf. II
279460.7769 0.2289 -4.7095 3 79.1825177 89503 30329 821 28 622 a-Alanine, conf. II
279513.7655 0.2288 -4.7094 3 79.1825177 89503 30329 921 28 722 a-Alanine, conf. II
279520.6322 0.8735 -2.9595 3 246.5233297 89503 303491733 481732 a-Alanine, conf. II
279612.3476 4.7276 -2.9111 3 276.0356345 89503 30357 552 56 551 a-Alanine, conf. II
279612.3476 4.7276 -4.0575 3 276.0356345 89503 30357 552 56 651 a-Alanine, conf. II
279612.3476 4.7276 -4.0575 3 276.0356345 89503 30357 652 56 551 a-Alanine, conf. II
279612.3476 4.7276 -2.9111 3 276.0356345 89503 30357 652 56 651 a-Alanine, conf. II
279670.5601 2.8617 -2.9655 3 235.2700285 89503 303472027 462026 a-Alanine, conf. II
279736.9174 0.8886 -2.9588 3 246.5097297 89503 303491633 481632 a-Alanine, conf. II
279779.1944 0.2045 -4.9613 3 69.8501171 89503 30328 622 27 423 a-Alanine, conf. II
279779.8932 0.2045 -4.9613 3 69.8501171 89503 30328 722 27 523 a-Alanine, conf. II
279838.6968 2.0277 -3.1476 3 282.3012297 89503 303492921 482920 a-Alanine, conf. II
279838.6969 2.0277 -3.1476 3 282.3012297 89503 303492920 482919 a-Alanine, conf. II
279859.7811 1.9507 -3.0023 3 249.3323291 89503 303482227 472226 a-Alanine, conf. II
279897.6408 18.8639 -5.0594 3 321.7056333 89503 303552233 542332 a-Alanine, conf. II
279927.9833 0.9144 -4.4162 3 246.5097297 89503 303491733 481632 a-Alanine, conf. II
280005.9777 2.1774 -2.9310 3 272.3389333 89503 30355 847 54 846 a-Alanine, conf. II
280005.9777 2.1774 -4.1201 3 272.3389333 89503 30355 847 54 946 a-Alanine, conf. II
280005.9777 2.1774 -4.1201 3 272.3389333 89503 30355 947 54 846 a-Alanine, conf. II
280005.9777 2.1774 -2.9310 3 272.3389333 89503 30355 947 54 946 a-Alanine, conf. II
280074.2861 1.5348 -4.0627 3 128.8517189 89503 3033125 6 3024 7 a-Alanine, conf. II
280074.2861 1.5348 -4.0627 3 128.8517189 89503 3033125 7 3024 6 a-Alanine, conf. II
280151.1831 2.1315 -3.0014 3 249.3400291 89503 303482226 472225 a-Alanine, conf. II
280192.9424 0.4568 -4.4251 3 95.1226183 89503 303301516 291317 a-Alanine, conf. II
280211.4130 0.5920 -4.2387 3 138.4966213 89503 303352016 341915 a-Alanine, conf. II
280212.2341 0.5920 -4.2387 3 138.4966213 89503 303352015 341916 a-Alanine, conf. II
280273.8228 1.0383 -4.3494 3 252.9568303 89503 303501535 491634 a-Alanine, conf. II
280283.4638 1.0399 -2.9590 3 252.9568303 89503 303501635 491634 a-Alanine, conf. II
280296.1639 1.0416 -2.9590 3 252.9561303 89503 303501535 491534 a-Alanine, conf. II
280305.8049 1.0432 -4.3493 3 252.9561303 89503 303501635 491534 a-Alanine, conf. II
280386.2934 2.0095 -3.1221 3 278.3794297 89503 303492822 482821 a-Alanine, conf. II
280386.2940 2.0095 -3.1221 3 278.3794297 89503 303492821 482820 a-Alanine, conf. II
280402.1305 1.0629 -4.9202 3 70.4025147 89503 3032418 6 2316 7 a-Alanine, conf. II
280402.1323 1.0629 -4.9202 3 70.4025147 89503 3032418 7 2316 8 a-Alanine, conf. II
280469.8344 1.4958 -4.1957 3 266.7389321 89503 303531142 521241 a-Alanine, conf. II
280469.8344 1.4958 -2.9469 3 266.7389321 89503 303531242 521241 a-Alanine, conf. II
280469.8345 1.4958 -2.9469 3 266.7389321 89503 303531142 521141 a-Alanine, conf. II
280469.8345 1.4958 -4.1957 3 266.7389321 89503 303531242 521141 a-Alanine, conf. II
280552.9126 12.6908 -2.8791 3 281.1793363 89503 30360 159 59 158 a-Alanine, conf. II
280552.9126 12.6908 -3.9839 3 281.1793363 89503 30360 159 59 258 a-Alanine, conf. II
280552.9126 12.6908 -3.9839 3 281.1793363 89503 30360 259 59 158 a-Alanine, conf. II
280552.9126 12.6908 -2.8791 3 281.1793363 89503 30360 259 59 258 a-Alanine, conf. II
280620.3223 0.4465 -4.3720 3 147.5039225 89503 303371820 361719 a-Alanine, conf. II
280859.0398 0.4954 -4.2949 3 142.7584219 89503 303361918 351817 a-Alanine, conf. II
280889.1629 0.4946 -4.2948 3 142.7576219 89503 303361917 351818 a-Alanine, conf. II
280920.4924 0.8128 -2.9507 3 239.6221291 89503 303481731 471730 a-Alanine, conf. II
281000.3928 6.3521 -2.9029 3 279.9461351 89503 30358 454 57 453 a-Alanine, conf. II
281000.3928 6.3521 -4.0373 3 279.9461351 89503 30358 454 57 553 a-Alanine, conf. II
281000.3928 6.3521 -4.0373 3 279.9461351 89503 30358 554 57 453 a-Alanine, conf. II
281000.3928 6.3521 -2.9029 3 279.9461351 89503 30358 554 57 553 a-Alanine, conf. II
281014.1322 2.0031 -3.0978 3 274.6276297 89503 303492723 482722 a-Alanine, conf. II
281014.1408 2.0032 -3.0978 3 274.6276297 89503 303492722 482721 a-Alanine, conf. II
281076.4751 3.8146 -4.6005 3 402.5158303 89503 3035049 1 4949 0 a-Alanine, conf. II
281076.4751 3.8146 -4.6005 3 402.5158303 89503 3035049 2 4949 1 a-Alanine, conf. II
281176.0911 3.6933 -4.2891 3 395.5500303 89503 3035048 2 4948 1 a-Alanine, conf. II
281176.0911 3.6933 -4.2891 3 395.5500303 89503 3035048 3 4948 2 a-Alanine, conf. II
281279.3629 1.1033 -2.9585 3 242.0686291 89503 303481930 471929 a-Alanine, conf. II
281282.6773 3.5758 -4.1029 3 388.7309303 89503 3035047 3 4947 2 a-Alanine, conf. II
281282.6773 3.5758 -4.1029 3 388.7309303 89503 3035047 4 4947 3 a-Alanine, conf. II
281286.1880 1.9095 -2.9823 3 246.7276291 89503 303482128 472127 a-Alanine, conf. II
281287.3976 1.2120 -4.2977 3 259.1038309 89503 303511437 501536 a-Alanine, conf. II
281287.7606 1.2120 -2.9567 3 259.1038309 89503 303511537 501536 a-Alanine, conf. II
281288.2948 1.2121 -2.9567 3 259.1037309 89503 303511437 501436 a-Alanine, conf. II
281288.6578 1.2122 -4.2977 3 259.1037309 89503 303511537 501436 a-Alanine, conf. II
281320.1392 0.4505 -4.3703 3 147.4860225 89503 303371819 361720 a-Alanine, conf. II
281338.3385 1.2857 -4.0906 3 131.3677195 89503 3033224 8 3123 9 a-Alanine, conf. II
281338.3385 1.2857 -4.0906 3 131.3677195 89503 3033224 9 3123 8 a-Alanine, conf. II
281396.8587 3.4621 -3.9682 3 382.0588303 89503 3035046 4 4946 3 a-Alanine, conf. II
281396.8587 3.4621 -3.9682 3 382.0588303 89503 3035046 5 4946 4 a-Alanine, conf. II
281398.8237 2.8773 -2.9237 3 276.8738339 89503 30356 749 55 748 a-Alanine, conf. II
281398.8237 2.8773 -4.0966 3 276.8738339 89503 30356 749 55 848 a-Alanine, conf. II
281398.8237 2.8773 -4.0966 3 276.8738339 89503 30356 849 55 748 a-Alanine, conf. II
281398.8237 2.8773 -2.9237 3 276.8738339 89503 30356 849 55 848 a-Alanine, conf. II
281519.3359 3.3524 -3.8619 3 375.5339303 89503 3035045 5 4945 4 a-Alanine, conf. II
281519.3359 3.3524 -3.8619 3 375.5339303 89503 3035045 6 4945 5 a-Alanine, conf. II
281546.5979 0.5965 -4.5654 3 85.7863171 89503 303281612 271413 a-Alanine, conf. II
281626.6722 0.8025 -4.7242 3 77.5683159 89503 3032617 9 251510 a-Alanine, conf. II
281627.3652 0.8024 -4.7242 3 77.5683159 89503 303261710 251511 a-Alanine, conf. II
281636.1149 0.5958 -4.5652 3 85.7833171 89503 303281613 271414 a-Alanine, conf. II
281650.8968 3.2466 -3.7736 3 369.1567303 89503 3035044 6 4944 5 a-Alanine, conf. II
281650.8968 3.2466 -3.7736 3 369.1567303 89503 3035044 7 4944 6 a-Alanine, conf. II
281742.7909 2.0117 -3.0745 3 271.0507297 89503 303492624 482623 a-Alanine, conf. II
281742.9013 2.0118 -3.0745 3 271.0507297 89503 303492623 482622 a-Alanine, conf. II
281792.0345 2.4051 -3.9880 3 128.6924177 89503 3032928 1 2827 2 a-Alanine, conf. II
281792.0345 2.4051 -3.9880 3 128.6924177 89503 3032928 2 2827 1 a-Alanine, conf. II
281792.4304 3.1450 -3.6979 3 362.9275303 89503 3035043 7 4943 6 a-Alanine, conf. II
281792.4304 3.1450 -3.6979 3 362.9275303 89503 3035043 8 4943 7 a-Alanine, conf. II
281821.3044 1.6655 -2.9410 3 271.9224327 89503 303541044 531043 a-Alanine, conf. II
281821.3044 1.6655 -4.1662 3 271.9224327 89503 303541044 531143 a-Alanine, conf. II
281821.3044 1.6655 -4.1662 3 271.9224327 89503 303541144 531043 a-Alanine, conf. II
281821.3044 1.6655 -2.9410 3 271.9224327 89503 303541144 531143 a-Alanine, conf. II
281859.7153 0.8905 -4.8965 3 126.2202213 89503 303351421 341322 a-Alanine, conf. II
281905.1267 16.0128 -2.8700 3 284.2852369 89503 30361 061 60 060 a-Alanine, conf. II
281905.1267 16.0128 -3.9664 3 284.2852369 89503 30361 061 60 160 a-Alanine, conf. II
281905.1267 16.0128 -3.9664 3 284.2852369 89503 30361 161 60 060 a-Alanine, conf. II
281905.1267 16.0128 -2.8700 3 284.2852369 89503 30361 161 60 160 a-Alanine, conf. II
281910.4222 1.1299 -4.4923 3 249.0793297 89503 303491732 481831 a-Alanine, conf. II
281929.5575 0.2658 -4.4385 3 95.9819189 89503 303311220 301021 a-Alanine, conf. II
281944.9441 3.0475 -3.6315 3 356.8467303 89503 3035042 8 4942 7 a-Alanine, conf. II
281944.9441 3.0475 -3.6315 3 356.8467303 89503 3035042 9 4942 8 a-Alanine, conf. II
282087.3171 1.6011 -2.9663 3 244.3336291 89503 303482029 472028 a-Alanine, conf. II
282109.5841 2.9544 -3.5722 3 350.9147303 89503 3035041 9 4941 8 a-Alanine, conf. II
282109.5841 2.9544 -3.5722 3 350.9147303 89503 303504110 4941 9 a-Alanine, conf. II
282287.6603 2.8656 -3.5187 3 345.1322303 89503 303504010 4940 9 a-Alanine, conf. II
282287.6603 2.8656 -3.5187 3 345.1322303 89503 303504011 494010 a-Alanine, conf. II
282380.7448 8.3877 -2.8946 3 283.6663357 89503 30359 356 58 355 a-Alanine, conf. II
282380.7448 8.3877 -4.0181 3 283.6663357 89503 30359 356 58 455 a-Alanine, conf. II
282380.7448 8.3877 -4.0181 3 283.6663357 89503 30359 456 58 355 a-Alanine, conf. II
282380.7448 8.3877 -2.8946 3 283.6663357 89503 30359 456 58 455 a-Alanine, conf. II
282455.6461 1.3717 -4.2555 3 264.9962315 89503 303521339 511438 a-Alanine, conf. II
282455.6567 1.3717 -2.9531 3 264.9962315 89503 303521439 511438 a-Alanine, conf. II
282455.6738 1.3717 -2.9531 3 264.9962315 89503 303521339 511338 a-Alanine, conf. II
282455.6844 1.3717 -4.2555 3 264.9962315 89503 303521439 511338 a-Alanine, conf. II
282480.6777 2.7814 -3.4698 3 339.4996303 89503 303503911 493910 a-Alanine, conf. II
282480.6777 2.7814 -3.4698 3 339.4996303 89503 303503912 493911 a-Alanine, conf. II
282488.3952 1.9493 -4.5430 3 230.3611285 89503 303471830 461729 a-Alanine, conf. II
282515.3882 0.5058 -4.1154 3 127.4309213 89503 303351520 341321 a-Alanine, conf. II
282561.4164 1.0638 -4.1215 3 134.2492201 89503 303332310 322211 a-Alanine, conf. II
282561.4164 1.0638 -4.1215 3 134.2492201 89503 303332311 322210 a-Alanine, conf. II
282601.7376 2.0399 -3.0521 3 267.6556297 89503 303492525 482524 a-Alanine, conf. II
282602.9640 2.0412 -3.0521 3 267.6556297 89503 303492524 482523 a-Alanine, conf. II
282690.3750 2.7019 -3.4249 3 334.0177303 89503 303503812 493811 a-Alanine, conf. II
282690.3750 2.7019 -3.4249 3 334.0177303 89503 303503813 493812 a-Alanine, conf. II
282792.5677 3.8960 -2.9163 3 281.2144345 89503 30357 651 56 650 a-Alanine, conf. II
282792.5677 3.8960 -4.0746 3 281.2144345 89503 30357 651 56 750 a-Alanine, conf. II
282792.5677 3.8960 -4.0746 3 281.2144345 89503 30357 751 56 650 a-Alanine, conf. II
282792.5677 3.8960 -2.9163 3 281.2144345 89503 30357 751 56 750 a-Alanine, conf. II
282902.9599 2.7206 -2.9771 3 246.7798291 89503 303482127 472126 a-Alanine, conf. II
282918.7735 2.6274 -3.3833 3 328.6871303 89503 303503713 493712 a-Alanine, conf. II
282918.7735 2.6274 -3.3833 3 328.6871303 89503 303503714 493713 a-Alanine, conf. II
283018.7106 2.3389 -4.5754 3 221.2059279 89503 303461829 451728 a-Alanine, conf. II
283099.1509 2.0742 -4.0107 3 130.3449183 89503 3033027 3 2926 4 a-Alanine, conf. II
283099.1509 2.0742 -4.0107 3 130.3449183 89503 3033027 4 2926 3 a-Alanine, conf. II
283168.2393 2.5579 -3.3446 3 323.5088303 89503 303503614 493613 a-Alanine, conf. II
283168.2393 2.5579 -3.3446 3 323.5088303 89503 303503615 493614 a-Alanine, conf. II
283195.3930 1.9510 -2.9347 3 276.9007333 89503 30355 946 54 945 a-Alanine, conf. II
283195.3930 1.9510 -4.1395 3 276.9007333 89503 30355 946 541045 a-Alanine, conf. II
283195.3930 1.9510 -4.1395 3 276.9007333 89503 303551046 54 945 a-Alanine, conf. II
283195.3930 1.9510 -2.9347 3 276.9007333 89503 303551046 541045 a-Alanine, conf. II
283240.3449 0.8672 -2.9550 3 249.0793297 89503 303491832 481831 a-Alanine, conf. II
283441.5639 2.4939 -3.3084 3 318.4838303 89503 303503515 493514 a-Alanine, conf. II
283441.5639 2.4939 -3.3084 3 318.4838303 89503 303503516 493515 a-Alanine, conf. II
283517.7439 1.5178 -4.5093 3 239.6221291 89503 303481831 471730 a-Alanine, conf. II
283633.2704 2.0939 -3.0304 3 264.4513297 89503 303492426 482425 a-Alanine, conf. II
283644.9606 2.1042 -3.0303 3 264.4515297 89503 303492425 482424 a-Alanine, conf. II
283717.5562 0.8701 -4.1562 3 137.5063207 89503 303342213 332112 a-Alanine, conf. II
283717.5569 0.8701 -4.1562 3 137.5063207 89503 303342212 332113 a-Alanine, conf. II
283719.2312 1.5139 -4.2195 3 270.6552321 89503 303531241 521340 a-Alanine, conf. II
283719.2314 1.5139 -2.9487 3 270.6552321 89503 303531341 521340 a-Alanine, conf. II
283719.2319 1.5139 -2.9487 3 270.6552321 89503 303531241 521240 a-Alanine, conf. II
283719.2321 1.5139 -4.2195 3 270.6552321 89503 303531341 521240 a-Alanine, conf. II
283742.0704 2.4355 -3.2745 3 313.6133303 89503 303503416 493415 a-Alanine, conf. II
283742.0704 2.4355 -3.2745 3 313.6133303 89503 303503417 493416 a-Alanine, conf. II
283751.6683 10.8800 -2.8861 3 287.1967363 89503 30360 258 59 257 a-Alanine, conf. II
283751.6683 10.8800 -3.9997 3 287.1967363 89503 30360 258 59 357 a-Alanine, conf. II
283751.6683 10.8800 -3.9997 3 287.1967363 89503 30360 358 59 257 a-Alanine, conf. II
283751.6683 10.8800 -2.8861 3 287.1967363 89503 30360 358 59 357 a-Alanine, conf. II
283859.5222 0.9891 -4.3952 3 255.8471303 89503 303501634 491733 a-Alanine, conf. II
283947.0432 0.9979 -2.9560 3 255.8471303 89503 303501734 491733 a-Alanine, conf. II
284050.5881 1.0078 -2.9557 3 255.8407303 89503 303501634 491633 a-Alanine, conf. II
284073.7552 2.3833 -3.2425 3 308.8986303 89503 303503317 493316 a-Alanine, conf. II
284073.7552 2.3833 -3.2425 3 308.8986303 89503 303503318 493317 a-Alanine, conf. II
284125.4441 0.2360 -4.6068 3 86.4968183 89503 30330 921 29 722 a-Alanine, conf. II
284126.6303 1.0410 -2.9255 3 231.9721285 89503 303471829 461828 a-Alanine, conf. II
284138.1091 1.0206 -4.3942 3 255.8407303 89503 303501734 491633 a-Alanine, conf. II
284183.3324 5.2711 -2.9087 3 285.3625351 89503 30358 553 57 552 a-Alanine, conf. II
284183.3324 5.2711 -4.0540 3 285.3625351 89503 30358 553 57 652 a-Alanine, conf. II
284183.3324 5.2711 -4.0540 3 285.3625351 89503 30358 653 57 552 a-Alanine, conf. II
284183.3324 5.2711 -2.9087 3 285.3625351 89503 30358 653 57 652 a-Alanine, conf. II
284283.7615 0.6985 -4.4928 3 152.6971231 89503 303381721 371622 a-Alanine, conf. II
284352.5760 0.2376 -4.6063 3 86.4970183 89503 303301021 29 822 a-Alanine, conf. II
284396.1738 1.7717 -4.0351 3 132.3475189 89503 3033126 5 3025 6 a-Alanine, conf. II
284396.1738 1.7717 -4.0351 3 132.3475189 89503 3033126 6 3025 5 a-Alanine, conf. II
284441.4810 2.3378 -3.2123 3 304.3413303 89503 303503218 493217 a-Alanine, conf. II
284441.4810 2.3378 -3.2123 3 304.3413303 89503 303503219 493218 a-Alanine, conf. II
284507.6738 0.8986 -2.9505 3 248.9926297 89503 303491732 481731 a-Alanine, conf. II
284581.6894 2.4472 -2.9281 3 281.6789339 89503 30356 848 55 847 a-Alanine, conf. II
284581.6894 2.4472 -4.1150 3 281.6789339 89503 30356 848 55 947 a-Alanine, conf. II
284581.6894 2.4472 -4.1150 3 281.6789339 89503 30356 948 55 847 a-Alanine, conf. II
284581.6894 2.4472 -2.9281 3 281.6789339 89503 30356 948 55 947 a-Alanine, conf. II
284629.7958 2.6667 -2.9309 3 233.4285285 89503 303471928 461927 a-Alanine, conf. II
284670.1397 10.5136 -4.8375 3 285.5112315 89503 303522032 512131 a-Alanine, conf. II
284761.0438 1.1781 -4.3332 3 262.3060309 89503 303511536 501635 a-Alanine, conf. II
284763.5721 0.7073 -4.1963 3 141.1529213 89503 303352115 342014 a-Alanine, conf. II
284763.6247 0.7073 -4.1963 3 141.1529213 89503 303352114 342015 a-Alanine, conf. II
284765.1361 1.1789 -2.9555 3 262.3060309 89503 303511636 501635 a-Alanine, conf. II
284770.6849 1.1798 -2.9555 3 262.3057309 89503 303511536 501535 a-Alanine, conf. II
284774.7772 1.1806 -4.3331 3 262.3057309 89503 303511636 501535 a-Alanine, conf. II
284851.2483 2.2996 -3.1838 3 299.9434303 89503 303503119 493118 a-Alanine, conf. II
284851.2483 2.2996 -3.1838 3 299.9434303 89503 303503120 493119 a-Alanine, conf. II
284882.0751 0.4559 -4.3798 3 100.9687189 89503 303311517 301318 a-Alanine, conf. II
284886.2890 2.1716 -3.0091 3 261.4502297 89503 303492327 482326 a-Alanine, conf. II
284980.0776 2.2432 -3.0088 3 261.4524297 89503 303492326 482325 a-Alanine, conf. II
284988.2475 2.4851 -4.5981 3 212.1677273 89503 303451828 441727 a-Alanine, conf. II
285039.9472 1.6564 -2.9436 3 276.0944327 89503 303541143 531142 a-Alanine, conf. II
285039.9472 1.6564 -4.1880 3 276.0944327 89503 303541143 531242 a-Alanine, conf. II
285039.9472 1.6564 -4.1880 3 276.0944327 89503 303541243 531142 a-Alanine, conf. II
285039.9472 1.6564 -2.9436 3 276.0944327 89503 303541243 531242 a-Alanine, conf. II
285111.8169 13.8799 -2.8775 3 290.5375369 89503 30361 160 60 159 a-Alanine, conf. II
285111.8169 13.8799 -3.9821 3 290.5375369 89503 30361 160 60 259 a-Alanine, conf. II
285111.8169 13.8799 -3.9821 3 290.5375369 89503 30361 260 60 159 a-Alanine, conf. II
285111.8169 13.8799 -2.8775 3 290.5375369 89503 30361 260 60 259 a-Alanine, conf. II
285119.3879 0.4693 -4.3928 3 154.7244231 89503 303381821 371720 a-Alanine, conf. II
285310.5834 2.2696 -3.1566 3 295.7072303 89503 303503020 493019 a-Alanine, conf. II
285310.5834 2.2696 -3.1566 3 295.7072303 89503 303503021 493020 a-Alanine, conf. II
285402.5811 0.2302 -4.8217 3 76.9768177 89503 30329 722 28 523 a-Alanine, conf. II
285406.7751 0.2302 -4.8217 3 76.9768177 89503 30329 822 28 623 a-Alanine, conf. II
285407.8951 0.3898 -4.3317 3 105.3861195 89503 303321419 311220 a-Alanine, conf. II
285568.2574 7.0401 -2.9008 3 289.3193357 89503 30359 455 58 454 a-Alanine, conf. II
285568.2574 7.0401 -4.0344 3 289.3193357 89503 30359 455 58 554 a-Alanine, conf. II
285568.2574 7.0401 -4.0344 3 289.3193357 89503 30359 555 58 454 a-Alanine, conf. II
285568.2574 7.0401 -2.9008 3 289.3193357 89503 30359 555 58 554 a-Alanine, conf. II
285621.3569 0.5814 -4.2443 3 145.2092219 89503 303362017 351916 a-Alanine, conf. II
285623.9126 0.5813 -4.2443 3 145.2092219 89503 303362016 351917 a-Alanine, conf. II
285675.0952 1.4972 -4.0614 3 134.7048195 89503 3033225 7 3124 8 a-Alanine, conf. II
285675.0952 1.4972 -4.0614 3 134.7048195 89503 3033225 8 3124 7 a-Alanine, conf. II
285677.1372 1.0333 -4.8415 3 74.9594153 89503 3032518 7 2416 8 a-Alanine, conf. II
285677.1455 1.0333 -4.8415 3 74.9594153 89503 3032518 8 2416 9 a-Alanine, conf. II
285813.7448 1.3606 -4.2852 3 268.4865315 89503 303521438 511537 a-Alanine, conf. II
285813.8899 1.3606 -2.9533 3 268.4865315 89503 303521538 511537 a-Alanine, conf. II
285814.1078 1.3606 -2.9533 3 268.4865315 89503 303521438 511437 a-Alanine, conf. II
285814.2529 1.3607 -4.2852 3 268.4865315 89503 303521538 511437 a-Alanine, conf. II
285829.1162 2.2492 -3.1309 3 291.6356303 89503 303502922 492921 a-Alanine, conf. II
285829.1163 2.2492 -3.1309 3 291.6356303 89503 303502921 492920 a-Alanine, conf. II
285837.5965 1.2293 -4.4780 3 248.9926297 89503 303491832 481731 a-Alanine, conf. II
285950.8008 0.5830 -4.5133 3 91.1982177 89503 303291613 281414 a-Alanine, conf. II
285973.0944 3.2326 -2.9212 3 286.2603345 89503 30357 750 56 749 a-Alanine, conf. II
285973.0944 3.2326 -4.0923 3 286.2603345 89503 30357 750 56 849 a-Alanine, conf. II
285973.0944 3.2326 -4.0923 3 286.2603345 89503 30357 850 56 749 a-Alanine, conf. II
285973.0944 3.2326 -2.9212 3 286.2603345 89503 30357 850 56 849 a-Alanine, conf. II
286099.5597 0.5018 -4.3051 3 149.7080225 89503 303371919 361818 a-Alanine, conf. II
286100.2025 2.7199 -3.9641 3 132.6436177 89503 3032929 0 2828 1 a-Alanine, conf. II
286100.2025 2.7199 -3.9641 3 132.6436177 89503 3032929 1 2828 0 a-Alanine, conf. II
286117.9258 0.7913 -4.1715 3 126.0782213 89503 303351421 341222 a-Alanine, conf. II
286180.3955 0.5010 -4.3049 3 149.7059225 89503 303371918 361819 a-Alanine, conf. II
286186.3623 0.5809 -4.5127 3 91.1902177 89503 303291614 281415 a-Alanine, conf. II
286342.3917 2.2199 -2.9884 3 258.6674297 89503 303492228 482227 a-Alanine, conf. II
286367.4152 1.0722 -2.9524 3 251.4510297 89503 303491931 481930 a-Alanine, conf. II
286395.0602 1.8499 -2.9380 3 281.3229333 89503 303551045 541044 a-Alanine, conf. II
286395.0602 1.8499 -4.1598 3 281.3229333 89503 303551045 541144 a-Alanine, conf. II
286395.0602 1.8499 -4.1598 3 281.3229333 89503 303551145 541044 a-Alanine, conf. II
286395.0602 1.8499 -2.9380 3 281.3229333 89503 303551145 541144 a-Alanine, conf. II
286419.4724 2.2402 -3.1062 3 287.7321303 89503 303502823 492822 a-Alanine, conf. II
286419.4743 2.2402 -3.1062 3 287.7321303 89503 303502822 492821 a-Alanine, conf. II
286460.1316 17.4428 -2.8687 3 293.6885375 89503 30362 062 61 061 a-Alanine, conf. II
286460.1316 17.4428 -3.9650 3 293.6885375 89503 30362 062 61 161 a-Alanine, conf. II
286460.1316 17.4428 -3.9650 3 293.6885375 89503 30362 162 61 061 a-Alanine, conf. II
286460.1316 17.4428 -2.8687 3 293.6885375 89503 30362 162 61 161 a-Alanine, conf. II
286640.1208 0.7780 -4.6623 3 82.5394165 89503 303271710 261511 a-Alanine, conf. II
286642.5150 0.7780 -4.6623 3 82.5393165 89503 303271711 261512 a-Alanine, conf. II
286666.7821 4.1258 -4.6178 3 419.0007309 89503 3035150 1 5050 0 a-Alanine, conf. II
286666.7821 4.1258 -4.6178 3 419.0007309 89503 3035150 2 5050 1 a-Alanine, conf. II
286720.8993 0.4998 -4.3892 3 154.6839231 89503 303381820 371721 a-Alanine, conf. II
286734.9158 0.6300 -5.0037 3 117.8665207 89503 303341321 331222 a-Alanine, conf. II
286765.9158 4.0008 -4.3060 3 411.8915309 89503 3035149 2 5049 1 a-Alanine, conf. II
286765.9158 4.0008 -4.3060 3 411.8915309 89503 3035149 3 5049 2 a-Alanine, conf. II
286871.8591 3.8798 -4.1195 3 404.9290309 89503 3035148 3 5048 2 a-Alanine, conf. II
286871.8591 3.8798 -4.1195 3 404.9290309 89503 3035148 4 5048 3 a-Alanine, conf. II
286923.6670 1.2505 -4.0902 3 137.4233201 89503 3033324 9 322310 a-Alanine, conf. II
286923.6670 1.2505 -4.0902 3 137.4233201 89503 303332410 3223 9 a-Alanine, conf. II
286945.1871 9.2447 -2.8929 3 293.0855363 89503 30360 357 59 356 a-Alanine, conf. II
286945.1871 9.2447 -4.0158 3 293.0855363 89503 30360 357 59 456 a-Alanine, conf. II
286945.1871 9.2447 -4.0158 3 293.0855363 89503 30360 457 59 356 a-Alanine, conf. II
286945.1871 9.2447 -2.8929 3 293.0855363 89503 30360 457 59 456 a-Alanine, conf. II
286952.3081 2.6139 -2.9865 3 258.6848297 89503 303492227 482226 a-Alanine, conf. II
286985.2089 3.7628 -3.9844 3 398.1135309 89503 3035147 4 5047 3 a-Alanine, conf. II
286985.2089 3.7628 -3.9844 3 398.1135309 89503 3035147 5 5047 4 a-Alanine, conf. II
287005.9819 1.5265 -4.2455 3 274.4179321 89503 303531340 521439 a-Alanine, conf. II
287005.9859 1.5265 -2.9499 3 274.4179321 89503 303531440 521439 a-Alanine, conf. II
287005.9925 1.5265 -2.9499 3 274.4179321 89503 303531340 521339 a-Alanine, conf. II
287005.9965 1.5265 -4.2455 3 274.4179321 89503 303531440 521339 a-Alanine, conf. II
287059.1749 1.0327 -4.4573 3 258.5271303 89503 303501733 491832 a-Alanine, conf. II
287094.4773 0.3290 -4.3685 3 103.6623195 89503 303321320 311121 a-Alanine, conf. II
287098.7150 2.2452 -3.0827 3 284.0012303 89503 303502724 492723 a-Alanine, conf. II
287098.7410 2.2453 -3.0827 3 284.0012303 89503 303502723 492722 a-Alanine, conf. II
287106.6325 3.6499 -3.8777 3 391.4452309 89503 3035146 5 5046 4 a-Alanine, conf. II
287106.6325 3.6499 -3.8777 3 391.4452309 89503 3035146 6 5046 5 a-Alanine, conf. II
287236.8785 3.5410 -3.7891 3 384.9244309 89503 3035145 6 5045 5 a-Alanine, conf. II
287236.8785 3.5410 -3.7891 3 384.9244309 89503 3035145 7 5045 6 a-Alanine, conf. II
287312.8596 2.5371 -4.5637 3 261.0032303 89503 303501832 491931 a-Alanine, conf. II
287364.5994 4.3585 -2.9142 3 290.6473351 89503 30358 652 57 651 a-Alanine, conf. II
287364.5994 4.3585 -4.0711 3 290.6473351 89503 30358 652 57 751 a-Alanine, conf. II
287364.5994 4.3585 -4.0711 3 290.6473351 89503 30358 752 57 651 a-Alanine, conf. II
287364.5994 4.3585 -2.9142 3 290.6473351 89503 30358 752 57 751 a-Alanine, conf. II
287376.7892 3.4365 -3.7130 3 378.5516309 89503 3035144 7 5044 6 a-Alanine, conf. II
287376.7892 3.4365 -3.7130 3 378.5516309 89503 3035144 8 5044 7 a-Alanine, conf. II
287409.9991 2.3612 -3.9858 3 134.1445183 89503 3033028 2 2927 3 a-Alanine, conf. II
287409.9991 2.3612 -3.9858 3 134.1445183 89503 3033028 3 2927 2 a-Alanine, conf. II
287527.3162 3.3362 -3.6462 3 372.3271309 89503 3035143 8 5043 7 a-Alanine, conf. II
287527.3162 3.3362 -3.6462 3 372.3271309 89503 3035143 9 5043 8 a-Alanine, conf. II
287657.9752 2.0729 -2.9696 3 256.1103297 89503 303492129 482128 a-Alanine, conf. II
287689.5387 3.2403 -3.5865 3 366.2514309 89503 3035142 9 5042 8 a-Alanine, conf. II
287689.5387 3.2403 -3.5865 3 366.2514309 89503 303514210 5042 9 a-Alanine, conf. II
287716.3698 0.9688 -2.9519 3 258.5271303 89503 303501833 491832 a-Alanine, conf. II
287770.2453 2.1802 -2.9321 3 286.3471339 89503 30356 947 55 946 a-Alanine, conf. II
287770.2453 2.1802 -4.1341 3 286.3471339 89503 30356 947 551046 a-Alanine, conf. II
287770.2453 2.1802 -4.1341 3 286.3471339 89503 303561047 55 946 a-Alanine, conf. II
287770.2453 2.1802 -2.9321 3 286.3471339 89503 303561047 551046 a-Alanine, conf. II
287814.2698 2.3157 -4.6021 3 203.2753267 89503 303441827 431726 a-Alanine, conf. II
287842.2854 3.4606 -2.9450 3 244.5988291 89503 303482028 472027 a-Alanine, conf. II
287864.6863 3.1490 -3.5326 3 360.3249309 89503 303514110 5041 9 a-Alanine, conf. II
287864.6863 3.1490 -3.5326 3 360.3249309 89503 303514111 504110 a-Alanine, conf. II
287890.7544 2.2686 -3.0601 3 280.4487303 89503 303502625 492624 a-Alanine, conf. II
287891.0645 2.2689 -3.0600 3 280.4487303 89503 303502624 492623 a-Alanine, conf. II
287935.5024 1.6018 -2.9565 3 253.7430297 89503 303492030 482029 a-Alanine, conf. II
287982.0421 0.2339 -4.5173 3 94.0273189 89503 303311021 30 822 a-Alanine, conf. II
287988.6539 0.7776 -2.9278 3 241.4496291 89503 303481830 471829 a-Alanine, conf. II
288054.1662 3.0624 -3.4833 3 354.5483309 89503 303514011 504010 a-Alanine, conf. II
288054.1662 3.0624 -3.4833 3 354.5483309 89503 303514012 504011 a-Alanine, conf. II
288122.8383 1.0319 -4.1221 3 140.5110207 89503 303342312 332211 a-Alanine, conf. II
288122.8384 1.0319 -4.1221 3 140.5110207 89503 303342311 332212 a-Alanine, conf. II
288151.4744 0.6099 -4.2820 3 117.8193207 89503 303341321 331122 a-Alanine, conf. II
288259.5976 2.9805 -3.4380 3 348.9221309 89503 303513912 503911 a-Alanine, conf. II
288259.5976 2.9805 -3.4380 3 348.9221309 89503 303513913 503912 a-Alanine, conf. II
288282.4850 1.6752 -4.2113 3 280.1191327 89503 303541242 531341 a-Alanine, conf. II
288282.4851 1.6752 -2.9458 3 280.1191327 89503 303541342 531341 a-Alanine, conf. II
288282.4853 1.6752 -2.9458 3 280.1191327 89503 303541242 531241 a-Alanine, conf. II
288282.4854 1.6752 -4.2113 3 280.1191327 89503 303541342 531241 a-Alanine, conf. II
288312.4675 11.9324 -2.8848 3 296.6617369 89503 30361 259 60 258 a-Alanine, conf. II
288312.4675 11.9324 -3.9980 3 296.6617369 89503 30361 259 60 358 a-Alanine, conf. II
288312.4675 11.9324 -3.9980 3 296.6617369 89503 30361 359 60 258 a-Alanine, conf. II
288312.4675 11.9324 -2.8848 3 296.6617369 89503 30361 359 60 358 a-Alanine, conf. II
288341.6926 1.1296 -4.3753 3 265.3186309 89503 303511635 501734 a-Alanine, conf. II
288380.9509 1.1353 -2.9532 3 265.3186309 89503 303511735 501734 a-Alanine, conf. II
288389.0976 0.9986 -2.9496 3 258.4828303 89503 303501733 491732 a-Alanine, conf. II
288429.2135 1.1413 -2.9530 3 265.3157309 89503 303511635 501634 a-Alanine, conf. II
288468.4718 1.1479 -4.3749 3 265.3157309 89503 303511735 501634 a-Alanine, conf. II
288482.8547 2.9037 -3.3960 3 343.4472309 89503 303513813 503812 a-Alanine, conf. II
288482.8547 2.9037 -3.3960 3 343.4472309 89503 303513814 503813 a-Alanine, conf. II
288712.7863 2.0318 -4.0090 3 135.9932189 89503 3033127 4 3026 5 a-Alanine, conf. II
288712.7863 2.0318 -4.0090 3 135.9932189 89503 3033127 5 3026 4 a-Alanine, conf. II
288726.1209 2.8322 -3.3570 3 338.1243309 89503 303513714 503713 a-Alanine, conf. II
288726.1209 2.8322 -3.3570 3 338.1243309 89503 303513715 503714 a-Alanine, conf. II
288752.5701 5.8636 -2.9069 3 294.8418357 89503 30359 554 58 553 a-Alanine, conf. II
288752.5701 5.8636 -4.0511 3 294.8418357 89503 30359 554 58 653 a-Alanine, conf. II
288752.5701 5.8636 -4.0511 3 294.8418357 89503 30359 654 58 553 a-Alanine, conf. II
288752.5701 5.8636 -2.9069 3 294.8418357 89503 30359 654 58 653 a-Alanine, conf. II
288828.6599 0.2452 -4.5155 3 94.0280189 89503 303311121 30 922 a-Alanine, conf. II
288830.1263 2.3165 -3.0382 3 277.0822303 89503 303502526 492525 a-Alanine, conf. II
288833.3298 2.3199 -3.0382 3 277.0822303 89503 303502525 492524 a-Alanine, conf. II
288857.0546 5.7856 -4.6774 3 273.1371309 89503 303511932 502031 a-Alanine, conf. II
288962.9717 0.5098 -4.4201 3 162.1798237 89503 303391822 381721 a-Alanine, conf. II
288991.9584 2.7661 -3.3204 3 332.9543309 89503 303513615 503614 a-Alanine, conf. II
288991.9584 2.7661 -3.3204 3 332.9543309 89503 303513616 503615 a-Alanine, conf. II
289038.9100 0.7288 -4.0882 3 134.4391219 89503 303361521 351322 a-Alanine, conf. II
289046.2925 1.1348 -4.4504 3 258.4828303 89503 303501833 491732 a-Alanine, conf. II
289156.0058 2.7454 -2.9259 3 291.1715345 89503 30357 849 56 848 a-Alanine, conf. II
289156.0058 2.7454 -4.1106 3 291.1715345 89503 30357 849 56 948 a-Alanine, conf. II
289156.0058 2.7454 -4.1106 3 291.1715345 89503 30357 949 56 848 a-Alanine, conf. II
289156.0058 2.7454 -2.9259 3 291.1715345 89503 30357 949 56 948 a-Alanine, conf. II
289242.0671 0.8433 -4.1584 3 143.9792213 89503 303352214 342113 a-Alanine, conf. II
289242.0699 0.8433 -4.1584 3 143.9792213 89503 303352213 342114 a-Alanine, conf. II
289256.7312 1.3296 -4.3188 3 271.8048315 89503 303521537 511636 a-Alanine, conf. II
289258.4421 1.3300 -2.9526 3 271.8048315 89503 303521637 511636 a-Alanine, conf. II
289260.8235 1.3305 -2.9526 3 271.8047315 89503 303521537 511536 a-Alanine, conf. II
289262.5344 1.3308 -4.3188 3 271.8047315 89503 303521637 511536 a-Alanine, conf. II
289283.3987 2.7058 -3.2861 3 327.9384309 89503 303513516 503515 a-Alanine, conf. II
289283.3987 2.7058 -3.2861 3 327.9384309 89503 303513517 503516 a-Alanine, conf. II
289357.3855 1.3047 -4.9839 3 72.7332147 89503 3032419 5 2317 6 a-Alanine, conf. II
289357.3855 1.3047 -4.9839 3 72.7332147 89503 3032419 6 2317 7 a-Alanine, conf. II
289604.0628 2.6517 -3.2537 3 323.0779309 89503 303513417 503416 a-Alanine, conf. II
289604.0628 2.6517 -3.2537 3 323.0779309 89503 303513418 503417 a-Alanine, conf. II
289609.8854 1.8307 -2.9410 3 285.6023333 89503 303551144 541143 a-Alanine, conf. II
289609.8854 1.8307 -4.1812 3 285.6023333 89503 303551144 541243 a-Alanine, conf. II
289609.8854 1.8307 -4.1812 3 285.6023333 89503 303551244 541143 a-Alanine, conf. II
289609.8854 1.8307 -2.9410 3 285.6023333 89503 303551244 541243 a-Alanine, conf. II
289668.8103 15.1558 -2.8765 3 300.0478375 89503 30362 161 61 160 a-Alanine, conf. II
289668.8103 15.1558 -3.9809 3 300.0478375 89503 30362 161 61 260 a-Alanine, conf. II
289668.8103 15.1558 -3.9809 3 300.0478375 89503 30362 261 61 160 a-Alanine, conf. II
289668.8103 15.1558 -2.8765 3 300.0478375 89503 30362 261 61 260 a-Alanine, conf. II
289958.3229 2.6043 -3.2232 3 318.3742309 89503 303513318 503317 a-Alanine, conf. II
289958.3229 2.6043 -3.2232 3 318.3742309 89503 303513319 503318 a-Alanine, conf. II
289964.4831 2.3946 -3.0169 3 273.9122303 89503 303502427 492426 a-Alanine, conf. II
289992.7607 2.4208 -3.0168 3 273.9129303 89503 303502426 492425 a-Alanine, conf. II
290002.3798 1.7311 -4.0339 3 138.1940195 89503 3033226 6 3125 7 a-Alanine, conf. II
290002.3798 1.7311 -4.0339 3 138.1940195 89503 3033226 7 3125 6 a-Alanine, conf. II
290023.5512 0.5746 -4.4644 3 96.8262183 89503 303301614 291415 a-Alanine, conf. II
290025.5095 0.4593 -4.3392 3 107.0102195 89503 303321518 311319 a-Alanine, conf. II
290134.3062 7.7862 -2.8995 3 298.8448363 89503 30360 456 59 455 a-Alanine, conf. II
290134.3062 7.7862 -4.0322 3 298.8448363 89503 30360 456 59 555 a-Alanine, conf. II
290134.3062 7.7862 -4.0322 3 298.8448363 89503 30360 556 59 455 a-Alanine, conf. II
290134.3062 7.7862 -2.8995 3 298.8448363 89503 30360 556 59 555 a-Alanine, conf. II
290229.8267 0.6891 -4.2005 3 147.8435219 89503 303362116 352015 a-Alanine, conf. II
290230.0071 0.6891 -4.2005 3 147.8435219 89503 303362115 352016 a-Alanine, conf. II
290345.7027 1.5208 -4.2740 3 278.0202321 89503 303531439 521538 a-Alanine, conf. II
290345.7600 1.5208 -2.9506 3 278.0202321 89503 303531539 521538 a-Alanine, conf. II
290345.8477 1.5208 -2.9506 3 278.0202321 89503 303531439 521438 a-Alanine, conf. II
290345.9050 1.5208 -4.2740 3 278.0202321 89503 303531539 521438 a-Alanine, conf. II
290351.5247 2.5642 -3.1943 3 313.8292309 89503 303513219 503218 a-Alanine, conf. II
290351.5247 2.5642 -3.1943 3 313.8292309 89503 303513220 503219 a-Alanine, conf. II
290400.6465 0.2485 -4.4392 3 101.7666195 89503 303321121 31 922 a-Alanine, conf. II
290465.6476 0.3682 -4.3672 3 109.7038201 89503 303331221 321022 a-Alanine, conf. II
290466.7314 1.3865 -4.6708 3 150.8266231 89503 303381622 371523 a-Alanine, conf. II
290545.7904 3.6233 -2.9194 3 295.7993351 89503 30358 751 57 750 a-Alanine, conf. II
290545.7904 3.6233 -4.0888 3 295.7993351 89503 30358 751 57 850 a-Alanine, conf. II
290545.7904 3.6233 -4.0888 3 295.7993351 89503 30358 851 57 750 a-Alanine, conf. II
290545.7904 3.6233 -2.9194 3 295.7993351 89503 30358 851 57 850 a-Alanine, conf. II
290572.2694 3.5123 -2.9601 3 256.2164297 89503 303492128 482127 a-Alanine, conf. II
290602.9309 0.5691 -4.4632 3 96.8063183 89503 303301615 291416 a-Alanine, conf. II
290641.1608 1.9016 -4.5832 3 194.5672261 89503 303431826 421725 a-Alanine, conf. II
290702.6680 0.2451 -4.7037 3 84.3305183 89503 30330 822 29 623 a-Alanine, conf. II
290724.4729 0.2451 -4.7037 3 84.3305183 89503 30330 922 29 723 a-Alanine, conf. II
290790.3023 2.5323 -3.1668 3 309.4450309 89503 303513120 503119 a-Alanine, conf. II
290790.3023 2.5323 -3.1668 3 309.4450309 89503 303513121 503120 a-Alanine, conf. II
290793.8508 0.2349 -4.9545 3 74.6306177 89503 30329 623 28 424 a-Alanine, conf. II
290794.1054 0.2349 -4.9545 3 74.6306177 89503 30329 723 28 524 a-Alanine, conf. II
290893.2714 1.0037 -4.7704 3 79.7142159 89503 3032618 8 2516 9 a-Alanine, conf. II
290893.3074 1.0037 -4.7704 3 79.7142159 89503 3032618 9 251610 a-Alanine, conf. II
290909.1436 14.8472 -4.8995 3 308.5604327 89503 303542133 532232 a-Alanine, conf. II
290967.9988 2.0523 -2.9358 3 290.8760339 89503 303561046 551045 a-Alanine, conf. II
290967.9988 2.0523 -4.1542 3 290.8760339 89503 303561046 551145 a-Alanine, conf. II
290967.9988 2.0523 -4.1542 3 290.8760339 89503 303561146 551045 a-Alanine, conf. II
290967.9988 2.0523 -2.9358 3 290.8760339 89503 303561146 551145 a-Alanine, conf. II
290988.6300 0.5775 -4.2516 3 152.1271225 89503 303372018 361917 a-Alanine, conf. II
290996.1871 0.5772 -4.2516 3 152.1269225 89503 303372017 361918 a-Alanine, conf. II
291013.1998 18.9723 -2.8681 3 303.2438381 89503 30363 063 62 062 a-Alanine, conf. II
291013.1998 18.9723 -3.9643 3 303.2438381 89503 30363 063 62 162 a-Alanine, conf. II
291013.1998 18.9723 -3.9643 3 303.2438381 89503 30363 163 62 062 a-Alanine, conf. II
291013.1998 18.9723 -2.8681 3 303.2438381 89503 30363 163 62 162 a-Alanine, conf. II
291200.1083 1.0738 -2.9482 3 261.0032303 89503 303501932 491931 a-Alanine, conf. II
291207.9412 0.8941 -2.9325 3 251.0558297 89503 303491831 481830 a-Alanine, conf. II
291227.5579 0.5176 -4.3180 3 156.8698231 89503 303381920 371819 a-Alanine, conf. II
291269.4340 1.4587 -4.0609 3 140.7521201 89503 3033325 8 3224 9 a-Alanine, conf. II
291269.4340 1.4587 -4.0609 3 140.7521201 89503 3033325 9 3224 8 a-Alanine, conf. II
291283.0362 2.5098 -3.1407 3 305.2241309 89503 303513021 503020 a-Alanine, conf. II
291283.0362 2.5098 -3.1407 3 305.2241309 89503 303513022 503021 a-Alanine, conf. II
291332.4571 2.4865 -2.9960 3 270.9529303 89503 303502328 492327 a-Alanine, conf. II
291433.9794 2.3534 -2.9169 3 242.9227291 89503 303481929 471928 a-Alanine, conf. II
291434.0279 0.5192 -4.3174 3 156.8644231 89503 303381919 371820 a-Alanine, conf. II
291507.7615 10.1700 -2.8919 3 302.6570369 89503 30361 358 60 357 a-Alanine, conf. II
291507.7615 10.1700 -4.0142 3 302.6570369 89503 30361 358 60 457 a-Alanine, conf. II
291507.7615 10.1700 -4.0142 3 302.6570369 89503 30361 458 60 357 a-Alanine, conf. II
291507.7615 10.1700 -2.8919 3 302.6570369 89503 30361 458 60 457 a-Alanine, conf. II
291540.5007 2.6530 -2.9954 3 270.9583303 89503 303502327 492326 a-Alanine, conf. II
291547.3147 0.7546 -4.6048 3 87.7134171 89503 303281711 271512 a-Alanine, conf. II
291555.0003 0.7545 -4.6048 3 87.7132171 89503 303281712 271513 a-Alanine, conf. II
291558.6824 1.6928 -4.2366 3 283.9914327 89503 303541341 531440 a-Alanine, conf. II
291558.6839 1.6928 -2.9474 3 283.9914327 89503 303541441 531440 a-Alanine, conf. II
291558.6864 1.6928 -2.9474 3 283.9914327 89503 303541341 531340 a-Alanine, conf. II
291558.6879 1.6928 -4.2366 3 283.9914327 89503 303541441 531340 a-Alanine, conf. II
291718.9942 2.6731 -3.9621 3 138.0920183 89503 3033029 1 2928 2 a-Alanine, conf. II
291718.9942 2.6731 -3.9621 3 138.0920183 89503 3033029 2 2928 1 a-Alanine, conf. II
291748.9794 0.6262 -4.4557 3 169.8840243 89503 303401823 391722 a-Alanine, conf. II
291828.0909 1.0946 -4.4294 3 268.1243309 89503 303511734 501833 a-Alanine, conf. II
291840.5430 2.4983 -3.1158 3 301.1698309 89503 303512923 502922 a-Alanine, conf. II
291840.5435 2.4983 -3.1158 3 301.1698309 89503 303512922 502921 a-Alanine, conf. II
291934.9333 4.8645 -2.9127 3 300.2328357 89503 30359 653 58 652 a-Alanine, conf. II
291934.9333 4.8645 -4.0683 3 300.2328357 89503 30359 653 58 752 a-Alanine, conf. II
291934.9333 4.8645 -4.0683 3 300.2328357 89503 30359 753 58 652 a-Alanine, conf. II
291934.9333 4.8645 -2.9127 3 300.2328357 89503 30359 753 58 752 a-Alanine, conf. II
292143.4557 1.0945 -2.9497 3 268.1243309 89503 303511834 501833 a-Alanine, conf. II
292255.2944 4.4583 -4.6362 3 435.8154315 89503 3035251 1 5151 0 a-Alanine, conf. II
292255.2944 4.4583 -4.6362 3 435.8154315 89503 3035251 2 5151 1 a-Alanine, conf. II
292343.8887 2.4332 -2.9302 3 295.9461345 89503 30357 948 56 947 a-Alanine, conf. II
292343.8887 2.4332 -4.1297 3 295.9461345 89503 30357 948 561047 a-Alanine, conf. II
292343.8887 2.4332 -4.1297 3 295.9461345 89503 303571048 56 947 a-Alanine, conf. II
292343.8887 2.4332 -2.9302 3 295.9461345 89503 303571048 561047 a-Alanine, conf. II
292353.9488 4.3298 -4.3240 3 428.5629315 89503 3035250 2 5150 1 a-Alanine, conf. II
292353.9488 4.3298 -4.3240 3 428.5629315 89503 3035250 3 5150 2 a-Alanine, conf. II
292423.3609 0.6129 -4.4133 3 162.0939237 89503 303391821 381722 a-Alanine, conf. II
292459.2595 4.2054 -4.1371 3 421.4570315 89503 3035249 3 5149 2 a-Alanine, conf. II
292459.2595 4.2054 -4.1371 3 421.4570315 89503 3035249 4 5149 3 a-Alanine, conf. II
292477.1610 2.5002 -3.0919 3 297.2860309 89503 303512824 502823 a-Alanine, conf. II
292477.1669 2.5002 -3.0919 3 297.2860309 89503 303512823 502822 a-Alanine, conf. II
292485.2858 1.1180 -2.9485 3 268.1024309 89503 303511734 501733 a-Alanine, conf. II
292499.6810 1.2147 -4.0906 3 143.6744207 89503 303342410 332311 a-Alanine, conf. II
292499.6810 1.2147 -4.0906 3 143.6744207 89503 303342411 332310 a-Alanine, conf. II
292511.6519 1.1201 -4.5398 3 160.1268237 89503 303391722 381623 a-Alanine, conf. II
292571.7970 4.0850 -4.0017 3 414.4980315 89503 3035248 4 5148 3 a-Alanine, conf. II
292571.7970 4.0850 -4.0017 3 414.4980315 89503 3035248 5 5148 4 a-Alanine, conf. II
292598.0863 1.3821 -4.5454 3 186.0822255 89503 303421825 411724 a-Alanine, conf. II
292692.1976 3.9689 -3.8946 3 407.6863315 89503 3035247 5 5147 4 a-Alanine, conf. II
292692.1976 3.9689 -3.8946 3 407.6863315 89503 3035247 6 5147 5 a-Alanine, conf. II
292800.6506 1.1744 -4.4261 3 268.1024309 89503 303511834 501733 a-Alanine, conf. II
292810.3912 1.2826 -4.3580 3 274.9379315 89503 303521636 511735 a-Alanine, conf. II
292821.1734 3.8571 -3.8055 3 401.0220315 89503 3035246 6 5146 5 a-Alanine, conf. II
292821.1734 3.8571 -3.8055 3 401.0220315 89503 3035246 7 5146 6 a-Alanine, conf. II
292827.4549 2.4856 -2.9759 3 268.2188303 89503 303502229 492228 a-Alanine, conf. II
292827.6720 1.2858 -2.9510 3 274.9379315 89503 303521736 511735 a-Alanine, conf. II
292846.3512 1.8490 -4.2041 3 289.7351333 89503 303551243 541342 a-Alanine, conf. II
292846.3512 1.8490 -2.9435 3 289.7351333 89503 303551343 541342 a-Alanine, conf. II
292846.3513 1.8490 -2.9435 3 289.7351333 89503 303551243 541242 a-Alanine, conf. II
292846.3513 1.8490 -4.2041 3 289.7351333 89503 303551343 541242 a-Alanine, conf. II
292849.6495 1.2892 -2.9509 3 274.9366315 89503 303521636 511635 a-Alanine, conf. II
292866.9303 1.2927 -4.3578 3 274.9366315 89503 303521736 511635 a-Alanine, conf. II
292871.3585 13.0642 -2.8841 3 306.2787375 89503 30362 260 61 259 a-Alanine, conf. II
292871.3585 13.0642 -3.9970 3 306.2787375 89503 30362 260 61 359 a-Alanine, conf. II
292871.3585 13.0642 -3.9970 3 306.2787375 89503 30362 360 61 259 a-Alanine, conf. II
292871.3585 13.0642 -2.8841 3 306.2787375 89503 30362 360 61 359 a-Alanine, conf. II
292959.5235 3.7496 -3.7291 3 394.5056315 89503 3035245 7 5145 6 a-Alanine, conf. II
292959.5235 3.7496 -3.7291 3 394.5056315 89503 3035245 8 5145 7 a-Alanine, conf. II
293025.6946 2.3158 -3.9843 3 139.7881189 89503 3033128 3 3027 4 a-Alanine, conf. II
293025.6946 2.3158 -3.9843 3 139.7881189 89503 3033128 4 3027 3 a-Alanine, conf. II
293038.2119 0.9161 -4.4993 3 177.8500249 89503 303411824 401723 a-Alanine, conf. II
293039.1354 1.4077 -4.8189 3 141.7796225 89503 303371522 361423 a-Alanine, conf. II
293106.7889 0.2760 -4.4347 3 101.7700195 89503 303321221 311022 a-Alanine, conf. II
293108.1481 3.6465 -3.6619 3 388.1374315 89503 3035244 8 5144 7 a-Alanine, conf. II
293108.1481 3.6465 -3.6619 3 388.1374315 89503 3035244 9 5144 8 a-Alanine, conf. II
293212.5320 2.5192 -3.0690 3 293.5778309 89503 303512725 502724 a-Alanine, conf. II
293212.6075 2.5193 -3.0690 3 293.5778309 89503 303512724 502723 a-Alanine, conf. II
293268.0652 3.5480 -3.6019 3 381.9180315 89503 3035243 9 5143 8 a-Alanine, conf. II
293268.0652 3.5480 -3.6019 3 381.9180315 89503 303524310 5143 9 a-Alanine, conf. II
293320.0218 6.5080 -2.9058 3 304.4736363 89503 30360 555 59 554 a-Alanine, conf. II
293320.0218 6.5080 -4.0490 3 304.4736363 89503 30360 555 59 654 a-Alanine, conf. II
293320.0218 6.5080 -4.0490 3 304.4736363 89503 30360 655 59 554 a-Alanine, conf. II
293320.0218 6.5080 -2.9058 3 304.4736363 89503 30360 655 59 654 a-Alanine, conf. II
293440.4308 3.4541 -3.5475 3 375.8477315 89503 303524210 5142 9 a-Alanine, conf. II
293440.4308 3.4541 -3.5475 3 375.8477315 89503 303524211 514210 a-Alanine, conf. II
293485.5334 1.5553 -2.9492 3 263.3475303 89503 303502031 492030 a-Alanine, conf. II
293595.2587 0.5742 -4.4188 3 102.6780189 89503 303311615 301416 a-Alanine, conf. II
293626.5632 3.3650 -3.4979 3 369.9270315 89503 303524111 514110 a-Alanine, conf. II
293626.5632 3.3650 -3.4979 3 369.9270315 89503 303524112 514111 a-Alanine, conf. II
293670.8692 1.0003 -4.1238 3 146.9701213 89503 303352313 342212 a-Alanine, conf. II
293670.8693 1.0003 -4.1238 3 146.9701213 89503 303352312 342213 a-Alanine, conf. II
293728.8632 3.0744 -2.9244 3 300.8167351 89503 30358 850 57 849 a-Alanine, conf. II
293728.8632 3.0744 -4.1070 3 300.8167351 89503 30358 850 57 949 a-Alanine, conf. II
293728.8632 3.0744 -4.1070 3 300.8167351 89503 30358 950 57 849 a-Alanine, conf. II
293728.8632 3.0744 -2.9244 3 300.8167351 89503 30358 950 57 949 a-Alanine, conf. II
293761.0735 1.4936 -4.3060 3 281.4534321 89503 303531538 521637 a-Alanine, conf. II
293761.7788 1.4937 -2.9504 3 281.4534321 89503 303531638 521637 a-Alanine, conf. II
293762.7844 1.4940 -2.9504 3 281.4534321 89503 303531538 521537 a-Alanine, conf. II
293763.4897 1.4941 -4.3060 3 281.4534321 89503 303531638 521537 a-Alanine, conf. II
293763.6454 0.4148 -4.3137 3 111.5470201 89503 303331420 321221 a-Alanine, conf. II
293787.4309 1.8205 -4.5124 3 270.7166309 89503 303511833 501932 a-Alanine, conf. II
293827.9739 3.2809 -3.4522 3 364.1567315 89503 303524012 514011 a-Alanine, conf. II
293827.9739 3.2809 -3.4522 3 364.1567315 89503 303524013 514012 a-Alanine, conf. II
293880.2613 2.1760 -2.9589 3 265.7055303 89503 303502130 492129 a-Alanine, conf. II
294037.6779 3.2876 -2.9722 3 268.2565303 89503 303502228 492227 a-Alanine, conf. II
294046.4048 3.2019 -3.4099 3 358.5375315 89503 303523913 513912 a-Alanine, conf. II
294046.4048 3.2019 -3.4099 3 358.5375315 89503 303523914 513913 a-Alanine, conf. II
294074.5665 2.5609 -3.0470 3 290.0517309 89503 303512626 502625 a-Alanine, conf. II
294075.4061 2.5619 -3.0469 3 290.0517309 89503 303512625 502624 a-Alanine, conf. II
294179.4623 2.0202 -2.9391 3 295.2627339 89503 303561145 551144 a-Alanine, conf. II
294179.4623 2.0202 -4.1754 3 295.2627339 89503 303561145 551244 a-Alanine, conf. II
294179.4623 2.0202 -4.1754 3 295.2627339 89503 303561245 551144 a-Alanine, conf. II
294179.4623 2.0202 -2.9391 3 295.2627339 89503 303561245 551244 a-Alanine, conf. II
294223.8643 16.5231 -2.8762 3 309.7101381 89503 30363 162 62 161 a-Alanine, conf. II
294223.8643 16.5231 -3.9804 3 309.7101381 89503 30363 162 62 261 a-Alanine, conf. II
294223.8643 16.5231 -3.9804 3 309.7101381 89503 30363 262 62 161 a-Alanine, conf. II
294223.8643 16.5231 -2.8762 3 309.7101381 89503 30363 262 62 261 a-Alanine, conf. II
294283.8763 3.1282 -3.3704 3 353.0700315 89503 303523814 513813 a-Alanine, conf. II
294283.8763 3.1282 -3.3704 3 353.0700315 89503 303523815 513814 a-Alanine, conf. II
294320.4962 1.0536 -2.9365 3 260.7695303 89503 303501832 491831 a-Alanine, conf. II
294322.8971 1.9881 -4.0080 3 141.8339195 89503 3033227 5 3126 6 a-Alanine, conf. II
294322.8971 1.9881 -4.0080 3 141.8339195 89503 3033227 6 3126 5 a-Alanine, conf. II
294542.7472 3.0601 -3.3335 3 347.7551315 89503 303523715 513714 a-Alanine, conf. II
294542.7472 3.0601 -3.3335 3 347.7551315 89503 303523716 513715 a-Alanine, conf. II
294698.5039 8.5939 -2.8987 3 308.5226369 89503 30361 457 60 456 a-Alanine, conf. II
294698.5039 8.5939 -4.0308 3 308.5226369 89503 30361 457 60 556 a-Alanine, conf. II
294698.5039 8.5939 -4.0308 3 308.5226369 89503 30361 557 60 456 a-Alanine, conf. II
294698.5039 8.5939 -2.8987 3 308.5226369 89503 30361 557 60 556 a-Alanine, conf. II
294700.4978 1.2713 -4.8975 3 77.2796153 89503 3032519 6 2417 7 a-Alanine, conf. II
294700.4981 1.2713 -4.8975 3 77.2796153 89503 3032519 7 2417 8 a-Alanine, conf. II
294747.0284 0.8186 -4.1616 3 150.6516219 89503 303362215 352114 a-Alanine, conf. II
294747.0391 0.8186 -4.1616 3 150.6516219 89503 303362214 352115 a-Alanine, conf. II
294825.7931 2.9979 -3.2987 3 342.5940315 89503 303523616 513615 a-Alanine, conf. II
294825.7931 2.9979 -3.2987 3 342.5940315 89503 303523617 513616 a-Alanine, conf. II
294882.3018 1.6931 -4.2641 3 287.7051327 89503 303541440 531539 a-Alanine, conf. II
294882.3242 1.6931 -2.9485 3 287.7051327 89503 303541540 531539 a-Alanine, conf. II
294882.3591 1.6931 -2.9485 3 287.7051327 89503 303541440 531439 a-Alanine, conf. II
294882.3815 1.6931 -4.2641 3 287.7051327 89503 303541540 531439 a-Alanine, conf. II
294924.1289 0.5608 -4.4163 3 102.6321189 89503 303311616 301417 a-Alanine, conf. II
295103.4934 2.6330 -3.0255 3 286.7165309 89503 303512527 502526 a-Alanine, conf. II
295111.5637 2.6419 -3.0255 3 286.7167309 89503 303512526 502525 a-Alanine, conf. II
295116.8609 4.0522 -2.9183 3 305.4909357 89503 30359 752 58 751 a-Alanine, conf. II
295116.8609 4.0522 -4.0860 3 305.4909357 89503 30359 752 58 851 a-Alanine, conf. II
295116.8609 4.0522 -4.0860 3 305.4909357 89503 30359 852 58 751 a-Alanine, conf. II
295116.8609 4.0522 -2.9183 3 305.4909357 89503 30359 852 58 851 a-Alanine, conf. II
295136.3082 2.9419 -3.2660 3 337.5879315 89503 303523517 513516 a-Alanine, conf. II
295136.3082 2.9419 -3.2660 3 337.5879315 89503 303523518 513517 a-Alanine, conf. II
295478.2416 2.8926 -3.2351 3 332.7381315 89503 303523418 513417 a-Alanine, conf. II
295478.2416 2.8926 -3.2351 3 332.7381315 89503 303523419 513418 a-Alanine, conf. II
295540.0023 2.2744 -2.9343 3 300.5817345 89503 303571047 561046 a-Alanine, conf. II
295540.0023 2.2744 -4.1496 3 300.5817345 89503 303571047 561146 a-Alanine, conf. II
295540.0023 2.2744 -4.1496 3 300.5817345 89503 303571147 561046 a-Alanine, conf. II
295540.0023 2.2744 -2.9343 3 300.5817345 89503 303571147 561146 a-Alanine, conf. II
295564.3049 20.6062 -2.8681 3 312.9510387 89503 30364 064 63 063 a-Alanine, conf. II
295564.3049 20.6062 -3.9643 3 312.9510387 89503 30364 064 63 163 a-Alanine, conf. II
295564.3049 20.6062 -3.9643 3 312.9510387 89503 30364 164 63 063 a-Alanine, conf. II
295564.3049 20.6062 -2.8681 3 312.9510387 89503 30364 164 63 163 a-Alanine, conf. II
295585.7045 0.2486 -4.6019 3 91.9070189 89503 30331 922 30 723 a-Alanine, conf. II
295603.3846 1.6892 -4.0335 3 144.2339201 89503 3033326 7 3225 8 a-Alanine, conf. II
295603.3846 1.6892 -4.0335 3 144.2339201 89503 3033326 8 3225 7 a-Alanine, conf. II
295666.3158 0.6759 -4.2061 3 154.7366225 89503 303372117 362016 a-Alanine, conf. II
295666.9017 0.6758 -4.2061 3 154.7365225 89503 303372116 362017 a-Alanine, conf. II
295684.8283 0.2495 -4.6017 3 91.9070189 89503 303311022 30 823 a-Alanine, conf. II
295837.7531 1.1252 -2.9456 3 270.7166309 89503 303511933 501932 a-Alanine, conf. II
295856.3821 2.8507 -3.2059 3 328.0462315 89503 303523319 513318 a-Alanine, conf. II
295856.3821 2.8507 -3.2059 3 328.0462315 89503 303523320 513319 a-Alanine, conf. II
295868.5089 0.4712 -4.3046 3 113.2387201 89503 303331519 321320 a-Alanine, conf. II
295914.5222 3.7414 -2.9257 3 254.2002297 89503 303492029 482028 a-Alanine, conf. II
296026.7759 3.0109 -3.9396 3 142.1869183 89503 3033030 0 2929 1 a-Alanine, conf. II
296026.7759 3.0109 -3.9396 3 142.1869183 89503 3033030 1 2929 0 a-Alanine, conf. II
296042.0866 0.9743 -4.7054 3 84.6680165 89503 3032718 9 261610 a-Alanine, conf. II
296042.2286 0.9743 -4.7054 3 84.6680165 89503 303271810 261611 a-Alanine, conf. II
296068.4353 11.1674 -2.8915 3 312.3806375 89503 30362 359 61 358 a-Alanine, conf. II
296068.4353 11.1674 -4.0133 3 312.3806375 89503 30362 359 61 458 a-Alanine, conf. II
296068.4353 11.1674 -4.0133 3 312.3806375 89503 30362 459 61 358 a-Alanine, conf. II
296068.4353 11.1674 -2.8915 3 312.3806375 89503 30362 459 61 458 a-Alanine, conf. II
296113.2231 1.8713 -4.2287 3 293.7167333 89503 303551342 541441 a-Alanine, conf. II
296113.2236 1.8713 -2.9456 3 293.7167333 89503 303551442 541441 a-Alanine, conf. II
296113.2246 1.8713 -2.9456 3 293.7167333 89503 303551342 541341 a-Alanine, conf. II
296113.2251 1.8713 -4.2287 3 293.7167333 89503 303551442 541341 a-Alanine, conf. II
296175.9872 0.5415 -4.3341 3 164.2478237 89503 303391921 381820 a-Alanine, conf. II
296276.6154 2.8170 -3.1780 3 323.5143315 89503 303523220 513219 a-Alanine, conf. II
296276.6154 2.8170 -3.1780 3 323.5143315 89503 303523221 513220 a-Alanine, conf. II
296303.0187 0.5826 -4.2607 3 159.2518231 89503 303382019 371918 a-Alanine, conf. II
296319.0907 20.0639 -4.9627 3 332.4958339 89503 303562234 552333 a-Alanine, conf. II
296324.2929 0.5823 -4.2607 3 159.2513231 89503 303382018 371919 a-Alanine, conf. II
296326.8160 0.7329 -4.5512 3 93.0923177 89503 303291712 281513 a-Alanine, conf. II
296349.6541 2.7371 -3.0046 3 283.5844309 89503 303512428 502427 a-Alanine, conf. II
296349.8506 0.7326 -4.5511 3 93.0915177 89503 303291713 281514 a-Alanine, conf. II
296406.2793 1.2273 -4.4064 3 277.8692315 89503 303521735 511834 a-Alanine, conf. II
296411.8123 0.5856 -4.3761 3 108.7649195 89503 303321616 311417 a-Alanine, conf. II
296415.4995 2.8011 -3.0044 3 283.5860309 89503 303512427 502426 a-Alanine, conf. II
296486.8522 0.2564 -4.8160 3 82.0172183 89503 30330 723 29 524 a-Alanine, conf. II
296488.4558 0.2564 -4.8160 3 82.0172183 89503 30330 823 29 624 a-Alanine, conf. II
296503.5259 5.4168 -2.9119 3 309.9707363 89503 30360 654 59 653 a-Alanine, conf. II
296503.5259 5.4168 -4.0663 3 309.9707363 89503 30360 654 59 753 a-Alanine, conf. II
296503.5259 5.4168 -4.0663 3 309.9707363 89503 30360 754 59 653 a-Alanine, conf. II
296503.5259 5.4168 -2.9119 3 309.9707363 89503 30360 754 59 753 a-Alanine, conf. II
296553.8611 1.2388 -2.9481 3 277.8692315 89503 303521835 511834 a-Alanine, conf. II
296678.0321 0.5554 -4.3329 3 164.2349237 89503 303391920 381821 a-Alanine, conf. II
296721.6441 1.2553 -2.9476 3 277.8587315 89503 303521735 511734 a-Alanine, conf. II
296746.2919 2.7924 -3.1516 3 319.1447315 89503 303523121 513120 a-Alanine, conf. II
296746.2919 2.7924 -3.1516 3 319.1447315 89503 303523122 513121 a-Alanine, conf. II
296856.2948 1.4192 -4.0613 3 146.9940207 89503 3033425 9 332410 a-Alanine, conf. II
296856.2948 1.4192 -4.0613 3 146.9940207 89503 303342510 3324 9 a-Alanine, conf. II
296869.2259 1.2811 -4.4049 3 277.8587315 89503 303521835 511734 a-Alanine, conf. II
296916.2419 2.7123 -2.9291 3 305.6976351 89503 30358 949 57 948 a-Alanine, conf. II
296916.2419 2.7123 -4.1260 3 305.6976351 89503 30358 949 571048 a-Alanine, conf. II
296916.2419 2.7123 -4.1260 3 305.6976351 89503 303581049 57 948 a-Alanine, conf. II
296916.2419 2.7123 -2.9291 3 305.6976351 89503 303581049 571048 a-Alanine, conf. II
297020.8674 1.7569 -2.9112 3 252.6439297 89503 303491930 481929 a-Alanine, conf. II
297274.7682 2.7786 -3.1263 3 314.9403315 89503 303523023 513022 a-Alanine, conf. II
297274.7683 2.7786 -3.1263 3 314.9403315 89503 303523022 513021 a-Alanine, conf. II
297280.9595 1.4482 -4.3429 3 284.7056321 89503 303531637 521736 a-Alanine, conf. II
297288.4370 1.4499 -2.9494 3 284.7056321 89503 303531737 521736 a-Alanine, conf. II
297298.2403 1.4518 -2.9493 3 284.7050321 89503 303531637 521636 a-Alanine, conf. II
297305.7178 1.4535 -4.3428 3 284.7050321 89503 303531737 521636 a-Alanine, conf. II
297336.0262 2.6248 -3.9608 3 143.7314189 89503 3033129 2 3028 3 a-Alanine, conf. II
297336.0262 2.6248 -3.9608 3 143.7314189 89503 3033129 3 3028 2 a-Alanine, conf. II
297410.5455 2.0362 -2.9420 3 299.5034339 89503 303561244 551243 a-Alanine, conf. II
297410.5455 2.0362 -4.1979 3 299.5034339 89503 303561244 551343 a-Alanine, conf. II
297410.5455 2.0362 -4.1979 3 299.5034339 89503 303561344 551243 a-Alanine, conf. II
297410.5455 2.0362 -2.9420 3 299.5034339 89503 303561344 551343 a-Alanine, conf. II
297428.3108 14.2795 -2.8841 3 316.0479381 89503 30363 261 62 260 a-Alanine, conf. II
297428.3108 14.2795 -3.9966 3 316.0479381 89503 30363 261 62 360 a-Alanine, conf. II
297428.3108 14.2795 -3.9966 3 316.0479381 89503 30363 361 62 260 a-Alanine, conf. II
297428.3108 14.2795 -2.8841 3 316.0479381 89503 30363 361 62 360 a-Alanine, conf. II
297463.5792 9.0559 -4.7300 3 295.7048321 89503 303532033 522132 a-Alanine, conf. II
297624.9364 0.3520 -4.3632 3 109.7173201 89503 303331321 321122 a-Alanine, conf. II
297674.6796 1.1584 -2.9392 3 270.5870309 89503 303511833 501832 a-Alanine, conf. II
297820.9380 2.8262 -2.9841 3 280.6707309 89503 303512329 502328 a-Alanine, conf. II
297841.9697 4.8135 -4.6556 3 452.9598321 89503 3035352 1 5252 0 a-Alanine, conf. II
297841.9697 4.8135 -4.6556 3 452.9598321 89503 3035352 2 5252 1 a-Alanine, conf. II
297874.2377 2.7777 -3.1022 3 310.9046315 89503 303522924 512923 a-Alanine, conf. II
297874.2391 2.7777 -3.1022 3 310.9046315 89503 303522923 512922 a-Alanine, conf. II
297885.6490 7.2079 -2.9054 3 314.2577369 89503 30361 556 60 555 a-Alanine, conf. II
297885.6490 7.2079 -4.0477 3 314.2577369 89503 30361 556 60 655 a-Alanine, conf. II
297885.6490 7.2079 -4.0477 3 314.2577369 89503 30361 656 60 555 a-Alanine, conf. II
297885.6490 7.2079 -2.9054 3 314.2577369 89503 30361 656 60 655 a-Alanine, conf. II
297940.1473 4.6815 -4.3430 3 445.5639321 89503 3035351 2 5251 1 a-Alanine, conf. II
297940.1473 4.6815 -4.3430 3 445.5639321 89503 3035351 3 5251 2 a-Alanine, conf. II
297995.8638 4.2858 -4.5979 3 283.1016315 89503 303521933 512032 a-Alanine, conf. II
298044.8346 4.5536 -4.1557 3 438.3147321 89503 3035350 3 5250 2 a-Alanine, conf. II
298044.8346 4.5536 -4.1557 3 438.3147321 89503 3035350 4 5250 3 a-Alanine, conf. II
298065.0433 1.1787 -4.0920 3 150.1218213 89503 303352411 342312 a-Alanine, conf. II
298065.0433 1.1787 -4.0920 3 150.1218213 89503 303352412 342311 a-Alanine, conf. II
298156.5775 4.4300 -4.0199 3 431.2124321 89503 3035349 4 5249 3 a-Alanine, conf. II
298156.5775 4.4300 -4.0199 3 431.2124321 89503 3035349 5 5249 4 a-Alanine, conf. II
298185.8110 0.6113 -4.3348 3 115.1003201 89503 303331617 321418 a-Alanine, conf. II
298196.8298 1.1313 -4.9379 3 132.9569219 89503 303361422 351323 a-Alanine, conf. II
298207.7449 2.5014 -4.5216 3 260.7695303 89503 303501932 491831 a-Alanine, conf. II
298215.5778 3.1675 -4.5528 3 251.0558297 89503 303491931 481830 a-Alanine, conf. II
298262.6181 3.1943 -2.9828 3 280.6831309 89503 303512328 502327 a-Alanine, conf. II
298273.2719 1.6705 -4.2948 3 291.2522327 89503 303541539 531638 a-Alanine, conf. II
298273.5590 1.6705 -2.9489 3 291.2522327 89503 303541639 531638 a-Alanine, conf. II
298273.9773 1.6707 -2.9489 3 291.2522327 89503 303541539 531538 a-Alanine, conf. II
298274.2643 1.6707 -4.2948 3 291.2522327 89503 303541639 531538 a-Alanine, conf. II
298275.9833 4.3108 -3.9125 3 424.2572321 89503 3035348 5 5248 4 a-Alanine, conf. II
298275.9833 4.3108 -3.9125 3 424.2572321 89503 3035348 6 5248 5 a-Alanine, conf. II
298300.2004 3.4364 -2.9236 3 310.6145357 89503 30359 851 58 850 a-Alanine, conf. II
298300.2004 3.4364 -4.1042 3 310.6145357 89503 30359 851 58 950 a-Alanine, conf. II
298300.2004 3.4364 -4.1042 3 310.6145357 89503 30359 951 58 850 a-Alanine, conf. II
298300.2004 3.4364 -2.9236 3 310.6145357 89503 30359 951 58 950 a-Alanine, conf. II
298403.7301 4.1959 -3.8231 3 417.4494321 89503 3035347 6 5247 5 a-Alanine, conf. II
298403.7301 4.1959 -3.8231 3 417.4494321 89503 3035347 7 5247 6 a-Alanine, conf. II
298540.5770 4.0855 -3.7462 3 410.7895321 89503 3035346 7 5246 6 a-Alanine, conf. II
298540.5770 4.0855 -3.7462 3 410.7895321 89503 3035346 8 5246 7 a-Alanine, conf. II
298561.0587 2.7928 -3.0790 3 307.0420315 89503 303522825 512824 a-Alanine, conf. II
298561.0765 2.7928 -3.0790 3 307.0420315 89503 303522824 512823 a-Alanine, conf. II
298620.3290 0.6650 -4.2335 3 128.5411213 89503 303351619 341420 a-Alanine, conf. II
298624.6312 0.6380 -4.1642 3 135.6220219 89503 303361620 351421 a-Alanine, conf. II
298638.5815 2.2691 -3.9834 3 145.6236195 89503 3033228 4 3127 5 a-Alanine, conf. II
298638.5815 2.2691 -3.9834 3 145.6236195 89503 3033228 5 3127 4 a-Alanine, conf. II
298671.4150 4.3783 -2.9426 3 265.9088303 89503 303502129 492128 a-Alanine, conf. II
298687.3769 3.9797 -3.6786 3 404.2777321 89503 3035345 8 5245 7 a-Alanine, conf. II
298687.3769 3.9797 -3.6786 3 404.2777321 89503 3035345 9 5245 8 a-Alanine, conf. II
298726.6758 1.4912 -2.9443 3 273.1371309 89503 303512032 502031 a-Alanine, conf. II
298748.5099 2.2260 -2.9379 3 305.0754345 89503 303571146 561145 a-Alanine, conf. II
298748.5099 2.2260 -4.1705 3 305.0754345 89503 303571146 561245 a-Alanine, conf. II
298748.5099 2.2260 -4.1705 3 305.0754345 89503 303571246 561145 a-Alanine, conf. II
298748.5099 2.2260 -2.9379 3 305.0754345 89503 303571246 561245 a-Alanine, conf. II
298762.8095 0.8647 -4.4446 3 169.7137243 89503 303401822 391723 a-Alanine, conf. II
298776.9506 17.9866 -2.8765 3 319.5244387 89503 30364 163 63 162 a-Alanine, conf. II
298776.9506 17.9866 -3.9805 3 319.5244387 89503 30364 163 63 262 a-Alanine, conf. II
298776.9506 17.9866 -3.9805 3 319.5244387 89503 30364 263 63 162 a-Alanine, conf. II
298776.9506 17.9866 -2.8765 3 319.5244387 89503 30364 263 63 262 a-Alanine, conf. II
298800.7640 0.6456 -4.2898 3 121.6936207 89503 303341618 331419 a-Alanine, conf. II
298845.0913 3.8785 -3.6182 3 397.9145321 89503 3035344 9 5244 8 a-Alanine, conf. II
298845.0913 3.8785 -3.6182 3 397.9145321 89503 303534410 5244 9 a-Alanine, conf. II
299014.8089 3.7822 -3.5635 3 391.7003321 89503 303534310 5243 9 a-Alanine, conf. II
299014.8089 3.7822 -3.5635 3 391.7003321 89503 303534311 524310 a-Alanine, conf. II
299197.7672 3.6907 -3.5135 3 385.6358321 89503 303534211 524210 a-Alanine, conf. II
299197.7672 3.6907 -3.5135 3 385.6358321 89503 303534212 524211 a-Alanine, conf. II
299203.6469 0.9697 -4.1264 3 153.6273219 89503 303362314 352213 a-Alanine, conf. II
299203.6474 0.9697 -4.1264 3 153.6273219 89503 303362313 352214 a-Alanine, conf. II
299236.1603 0.5561 -4.3719 3 108.6665195 89503 303321617 311418 a-Alanine, conf. II
299260.8154 9.4670 -2.8987 3 318.3527375 89503 30362 458 61 457 a-Alanine, conf. II
299260.8154 9.4670 -4.0300 3 318.3527375 89503 30362 458 61 557 a-Alanine, conf. II
299260.8154 9.4670 -4.0300 3 318.3527375 89503 30362 558 61 457 a-Alanine, conf. II
299260.8154 9.4670 -2.8987 3 318.3527375 89503 30362 558 61 557 a-Alanine, conf. II
299265.7056 2.7190 -2.9650 3 277.9865309 89503 303512230 502229 a-Alanine, conf. II
299290.8244 1.1499 -4.1027 3 141.5711225 89503 303371522 361323 a-Alanine, conf. II
299305.2868 1.4653 -4.4745 3 280.5847315 89503 303521834 511933 a-Alanine, conf. II
299357.9631 2.8289 -3.0567 3 303.3583315 89503 303522726 512725 a-Alanine, conf. II
299358.1746 2.8292 -3.0567 3 303.3583315 89503 303522725 512724 a-Alanine, conf. II
299395.3797 3.6042 -3.4675 3 379.7214321 89503 303534112 524111 a-Alanine, conf. II
299395.3797 3.6042 -3.4675 3 379.7214321 89503 303534113 524112 a-Alanine, conf. II
299422.6927 1.8779 -4.2555 3 297.5413333 89503 303551441 541540 a-Alanine, conf. II
299422.7013 1.8780 -2.9471 3 297.5413333 89503 303551541 541540 a-Alanine, conf. II
299422.7150 1.8780 -2.9471 3 297.5413333 89503 303551441 541440 a-Alanine, conf. II
299422.7237 1.8780 -4.2555 3 297.5413333 89503 303551541 541440 a-Alanine, conf. II
299609.2695 3.5230 -3.4247 3 373.9578321 89503 303534013 524012 a-Alanine, conf. II
299609.2695 3.5230 -3.4247 3 373.9578321 89503 303534014 524013 a-Alanine, conf. II
299686.2560 4.5220 -2.9178 3 315.3349363 89503 30360 753 59 752 a-Alanine, conf. II
299686.2560 4.5220 -4.0840 3 315.3349363 89503 30360 753 59 852 a-Alanine, conf. II
299686.2560 4.5220 -4.0840 3 315.3349363 89503 30360 853 59 752 a-Alanine, conf. II
299686.2560 4.5220 -2.9178 3 315.3349363 89503 30360 853 59 852 a-Alanine, conf. II
299725.0018 1.9150 -4.4912 3 270.5870309 89503 303511933 501832 a-Alanine, conf. II
299836.8166 3.6076 -4.5787 3 241.4496291 89503 303481930 471829 a-Alanine, conf. II
299841.3106 3.4473 -3.3849 3 368.3458321 89503 303533914 523913 a-Alanine, conf. II
299841.3106 3.4473 -3.3849 3 368.3458321 89503 303533915 523914 a-Alanine, conf. II
299864.4046 0.2481 -4.5129 3 99.7014195 89503 303321022 31 823 a-Alanine, conf. II
299879.5120 2.2019 -2.9504 3 275.5083309 89503 303512131 502130 a-Alanine, conf. II
299928.8141 1.9430 -4.0076 3 147.8674201 89503 3033327 6 3226 7 a-Alanine, conf. II
299928.8141 1.9430 -4.0076 3 147.8674201 89503 3033327 7 3226 6 a-Alanine, conf. II
299997.4659 1.2374 -4.8207 3 82.0224159 89503 3032619 7 2517 8 a-Alanine, conf. II
299997.4674 1.2374 -4.8207 3 82.0224159 89503 3032619 8 2517 9 a-Alanine, conf. II
300093.6813 3.3772 -3.3476 3 362.8862321 89503 303533815 523814 a-Alanine, conf. II
300093.6813 3.3772 -3.3476 3 362.8862321 89503 303533816 523815 a-Alanine, conf. II
300110.9624 2.5181 -2.9334 3 310.4398351 89503 303581048 571047 a-Alanine, conf. II
300110.9624 2.5181 -4.1458 3 310.4398351 89503 303581048 571147 a-Alanine, conf. II
300110.9624 2.5181 -4.1458 3 310.4398351 89503 303581148 571047 a-Alanine, conf. II
300110.9624 2.5181 -2.9334 3 310.4398351 89503 303581148 571147 a-Alanine, conf. II
300113.4206 22.3498 -2.8688 3 322.8099393 89503 30365 065 64 064 a-Alanine, conf. II
300113.4206 22.3498 -3.9649 3 322.8099393 89503 30365 065 64 164 a-Alanine, conf. II
300113.4206 22.3498 -3.9649 3 322.8099393 89503 30365 165 64 064 a-Alanine, conf. II
300113.4206 22.3498 -2.8688 3 322.8099393 89503 30365 165 64 164 a-Alanine, conf. II
300212.1804 0.6121 -4.0951 3 142.9036225 89503 303371621 361422 a-Alanine, conf. II
300229.6469 0.7972 -4.1661 3 157.5245225 89503 303372216 362115 a-Alanine, conf. II
300229.6851 0.7972 -4.1661 3 157.5245225 89503 303372215 362116 a-Alanine, conf. II
300259.5949 0.2547 -4.5120 3 99.7017195 89503 303321122 31 923 a-Alanine, conf. II
300297.6082 2.8934 -3.0351 3 299.8609315 89503 303522627 512626 a-Alanine, conf. II
300299.8039 2.8963 -3.0351 3 299.8610315 89503 303522626 512625 a-Alanine, conf. II
300344.8823 1.2249 -2.9442 3 280.5847315 89503 303521934 511933 a-Alanine, conf. II
300368.9307 3.3130 -3.3125 3 357.5800321 89503 303533716 523715 a-Alanine, conf. II
300368.9307 3.3130 -3.3125 3 357.5800321 89503 303533717 523716 a-Alanine, conf. II
300433.5295 1.0556 -4.2083 3 132.8822219 89503 303361422 351223 a-Alanine, conf. II
300627.1760 12.2411 -2.8918 3 322.2564381 89503 30363 360 62 359 a-Alanine, conf. II
300627.1760 12.2411 -4.0131 3 322.2564381 89503 30363 360 62 459 a-Alanine, conf. II
300627.1760 12.2411 -4.0131 3 322.2564381 89503 30363 460 62 359 a-Alanine, conf. II
300627.1760 12.2411 -2.8918 3 322.2564381 89503 30363 460 62 459 a-Alanine, conf. II
300669.1541 2.0626 -4.2220 3 303.5940339 89503 303561343 551442 a-Alanine, conf. II
300669.1543 2.0626 -2.9445 3 303.5940339 89503 303561443 551442 a-Alanine, conf. II
300669.1547 2.0626 -2.9445 3 303.5940339 89503 303561343 551342 a-Alanine, conf. II
300669.1549 2.0626 -4.2220 3 303.5940339 89503 303561443 551342 a-Alanine, conf. II
300670.0671 3.2552 -3.2794 3 352.4284321 89503 303533617 523616 a-Alanine, conf. II
300670.0671 3.2552 -3.2794 3 352.4284321 89503 303533618 523617 a-Alanine, conf. II
300820.2444 0.5694 -4.3544 3 171.8481243 89503 303401922 391821 a-Alanine, conf. II
300898.7894 1.3896 -4.3871 3 287.7612321 89503 303531736 521835 a-Alanine, conf. II
300947.4542 0.7140 -4.5009 3 98.6783183 89503 303301713 291514 a-Alanine, conf. II
300966.3497 1.3992 -2.9472 3 287.7612321 89503 303531836 521835 a-Alanine, conf. II
301000.6727 3.2041 -3.2481 3 347.4326321 89503 303533518 523517 a-Alanine, conf. II
301000.6727 3.2041 -3.2481 3 347.4326321 89503 303533519 523518 a-Alanine, conf. II
301012.1387 0.7129 -4.5008 3 98.6761183 89503 303301714 291515 a-Alanine, conf. II
301046.3712 1.4098 -2.9469 3 287.7562321 89503 303531736 521735 a-Alanine, conf. II
301068.1022 0.6698 -4.2131 3 161.8334231 89503 303382118 372017 a-Alanine, conf. II
301069.9116 0.6697 -4.2131 3 161.8334231 89503 303382117 372018 a-Alanine, conf. II
301070.3346 6.0185 -2.9118 3 319.8610369 89503 30361 655 60 654 a-Alanine, conf. II
301070.3346 6.0185 -4.0649 3 319.8610369 89503 30361 655 60 754 a-Alanine, conf. II
301070.3346 6.0185 -4.0649 3 319.8610369 89503 30361 755 60 654 a-Alanine, conf. II
301070.3346 6.0185 -2.9118 3 319.8610369 89503 30361 755 60 754 a-Alanine, conf. II
301113.7178 0.9452 -4.6456 3 89.8220171 89503 303281810 271611 a-Alanine, conf. II
301113.9315 1.4228 -4.3864 3 287.7562321 89503 303531836 521735 a-Alanine, conf. II
301114.2360 0.9452 -4.6456 3 89.8220171 89503 303281811 271612 a-Alanine, conf. II
301198.3440 1.6462 -4.0338 3 150.4678207 89503 3033426 8 3325 9 a-Alanine, conf. II
301198.3440 1.6462 -4.0338 3 150.4678207 89503 3033426 9 3325 8 a-Alanine, conf. II
301355.6090 1.2645 -2.9409 3 280.5163315 89503 303521834 511833 a-Alanine, conf. II
301365.0587 3.1604 -3.2185 3 342.5942321 89503 303533419 523418 a-Alanine, conf. II
301365.0587 3.1604 -3.2185 3 342.5942321 89503 303533420 523419 a-Alanine, conf. II
301384.5280 1.1645 -2.9130 3 262.5514303 89503 303501931 491930 a-Alanine, conf. II
301425.9691 2.9944 -3.0141 3 296.5601315 89503 303522528 512527 a-Alanine, conf. II
301445.5808 3.0173 -3.0141 3 296.5605315 89503 303522527 512526 a-Alanine, conf. II
301487.2281 3.0196 -2.9285 3 315.6017357 89503 30359 950 58 949 a-Alanine, conf. II
301487.2281 3.0196 -4.1231 3 315.6017357 89503 30359 950 581049 a-Alanine, conf. II
301487.2281 3.0196 -4.1231 3 315.6017357 89503 303591050 58 949 a-Alanine, conf. II
301487.2281 3.0196 -2.9285 3 315.6017357 89503 303591050 581049 a-Alanine, conf. II
301518.8320 4.2109 -2.9580 3 278.0646309 89503 303512229 502228 a-Alanine, conf. II
301548.3158 0.5988 -4.2720 3 166.5856237 89503 303392020 381919 a-Alanine, conf. II
301605.4217 0.5992 -4.2718 3 166.5841237 89503 303392019 381920 a-Alanine, conf. II
301644.5923 2.9596 -3.9385 3 147.8227189 89503 3033130 1 3029 2 a-Alanine, conf. II
301644.5923 2.9596 -3.9385 3 147.8227189 89503 3033130 2 3029 1 a-Alanine, conf. II
301759.3083 1.6273 -4.3297 3 294.6221327 89503 303541638 531737 a-Alanine, conf. II
301762.4935 1.6282 -2.9484 3 294.6221327 89503 303541738 531737 a-Alanine, conf. II
301766.7858 1.6291 -2.9484 3 294.6218327 89503 303541638 531637 a-Alanine, conf. II
301768.4776 3.1249 -3.1903 3 337.9149321 89503 303533320 523319 a-Alanine, conf. II
301768.4776 3.1249 -3.1903 3 337.9149321 89503 303533321 523320 a-Alanine, conf. II
301769.9710 1.6300 -4.3296 3 294.6218327 89503 303541738 531637 a-Alanine, conf. II
301794.6981 0.2737 -4.9487 3 79.5647183 89503 30330 624 29 425 a-Alanine, conf. II
301794.7895 0.2737 -4.9487 3 79.5647183 89503 30330 724 29 525 a-Alanine, conf. II
301889.5096 0.2659 -4.6989 3 89.6315189 89503 30331 823 30 624 a-Alanine, conf. II
301898.2766 0.2658 -4.6989 3 89.6315189 89503 30331 923 30 724 a-Alanine, conf. II
301974.8177 2.2378 -2.9412 3 309.4240345 89503 303571245 561244 a-Alanine, conf. II
301974.8177 2.2378 -4.1926 3 309.4240345 89503 303571245 561344 a-Alanine, conf. II
301974.8177 2.2378 -4.1926 3 309.4240345 89503 303571345 561244 a-Alanine, conf. II
301974.8177 2.2378 -2.9412 3 309.4240345 89503 303571345 561344 a-Alanine, conf. II
301981.3074 0.6240 -4.3518 3 171.8186243 89503 303401921 391822 a-Alanine, conf. II
301983.2943 15.5831 -2.8847 3 325.9690387 89503 30364 262 63 261 a-Alanine, conf. II
301983.2943 15.5831 -3.9969 3 325.9690387 89503 30364 262 63 361 a-Alanine, conf. II
301983.2943 15.5831 -3.9969 3 325.9690387 89503 30364 362 63 261 a-Alanine, conf. II
301983.2943 15.5831 -2.8847 3 325.9690387 89503 30364 362 63 361 a-Alanine, conf. II
302217.4213 3.0984 -3.1635 3 333.3970321 89503 303533221 523220 a-Alanine, conf. II
302217.4213 3.0984 -3.1635 3 333.3970321 89503 303533222 523221 a-Alanine, conf. II
302395.2045 1.5939 -4.4640 3 280.5163315 89503 303521934 511833 a-Alanine, conf. II
302434.5852 1.3791 -4.0624 3 153.4312213 89503 303352510 342411 a-Alanine, conf. II
302434.5852 1.3791 -4.0624 3 153.4312213 89503 303352511 342410 a-Alanine, conf. II
302449.4136 7.9666 -2.9056 3 324.1941375 89503 30362 557 61 556 a-Alanine, conf. II
302449.4136 7.9666 -4.0470 3 324.1941375 89503 30362 557 61 656 a-Alanine, conf. II
302449.4136 7.9666 -4.0470 3 324.1941375 89503 30362 657 61 556 a-Alanine, conf. II
302449.4136 7.9666 -2.9056 3 324.1941375 89503 30362 657 61 656 a-Alanine, conf. II
302623.5781 0.5010 -4.2775 3 119.6450207 89503 303341520 331321 a-Alanine, conf. II
302684.0840 3.6068 -4.5900 3 231.9721285 89503 303471929 461828 a-Alanine, conf. II
302720.0529 3.0824 -3.1379 3 329.0431321 89503 303533122 523121 a-Alanine, conf. II
302720.0529 3.0824 -3.1379 3 329.0431321 89503 303533123 523122 a-Alanine, conf. II
302788.9548 3.1214 -2.9935 3 293.4696315 89503 303522429 512428 a-Alanine, conf. II
302792.2404 1.8609 -4.2850 3 301.2016333 89503 303551540 541639 a-Alanine, conf. II
302792.3558 1.8609 -2.9479 3 301.2016333 89503 303551640 541639 a-Alanine, conf. II
302792.5274 1.8609 -2.9479 3 301.2016333 89503 303551540 541539 a-Alanine, conf. II
302792.6428 1.8610 -4.2850 3 301.2016333 89503 303551640 541539 a-Alanine, conf. II
302805.2187 1.8036 -4.6019 3 167.7495243 89503 303401723 391624 a-Alanine, conf. II
302869.9586 3.8342 -2.9234 3 320.5647363 89503 30360 852 59 851 a-Alanine, conf. II
302869.9586 3.8342 -4.1022 3 320.5647363 89503 30360 852 59 951 a-Alanine, conf. II
302869.9586 3.8342 -4.1022 3 320.5647363 89503 30360 952 59 851 a-Alanine, conf. II
302869.9586 3.8342 -2.9234 3 320.5647363 89503 30360 952 59 951 a-Alanine, conf. II
302936.4059 3.2715 -2.9931 3 293.4734315 89503 303522428 512427 a-Alanine, conf. II
302950.8282 2.5750 -3.9601 3 149.5624195 89503 3033229 3 3128 4 a-Alanine, conf. II
302950.8282 2.5750 -3.9601 3 149.5624195 89503 3033229 4 3128 3 a-Alanine, conf. II
303118.7829 0.4584 -4.3031 3 117.8665207 89503 303341421 331222 a-Alanine, conf. II
303130.9106 0.2744 -4.4349 3 107.7079201 89503 303331122 32 923 a-Alanine, conf. II
303286.8511 3.0789 -3.1135 3 324.8563321 89503 303533024 523023 a-Alanine, conf. II
303286.8513 3.0789 -3.1135 3 324.8563321 89503 303533023 523022 a-Alanine, conf. II
303306.2453 3.5255 -2.9107 3 264.0708303 89503 303502030 492029 a-Alanine, conf. II
303316.8762 2.4499 -2.9374 3 315.0406351 89503 303581147 571146 a-Alanine, conf. II
303316.8762 2.4499 -4.1665 3 315.0406351 89503 303581147 571246 a-Alanine, conf. II
303316.8762 2.4499 -4.1665 3 315.0406351 89503 303581247 571146 a-Alanine, conf. II
303316.8762 2.4499 -2.9374 3 315.0406351 89503 303581247 571246 a-Alanine, conf. II
303328.0409 19.5512 -2.8775 3 329.4905393 89503 30365 164 64 163 a-Alanine, conf. II
303328.0409 19.5512 -3.9813 3 329.4905393 89503 30365 164 64 263 a-Alanine, conf. II
303328.0409 19.5512 -3.9813 3 329.4905393 89503 30365 264 64 163 a-Alanine, conf. II
303328.0409 19.5512 -2.8775 3 329.4905393 89503 30365 264 64 263 a-Alanine, conf. II
303426.7652 5.1926 -4.6760 3 470.4338327 89503 3035453 1 5353 0 a-Alanine, conf. II
303426.7652 5.1926 -4.6760 3 470.4338327 89503 3035453 2 5353 1 a-Alanine, conf. II
303434.3626 0.7118 -4.2980 3 124.3176213 89503 303351322 341123 a-Alanine, conf. II
303524.4681 5.0571 -4.3630 3 462.8947327 89503 3035452 2 5352 1 a-Alanine, conf. II
303524.4681 5.0571 -4.3630 3 462.8947327 89503 3035452 3 5352 2 a-Alanine, conf. II
303618.2871 1.1430 -4.0942 3 156.7659219 89503 303362412 352313 a-Alanine, conf. II
303618.2871 1.1430 -4.0942 3 156.7659219 89503 303362413 352312 a-Alanine, conf. II
303628.5405 4.9259 -4.1754 3 455.5022327 89503 3035451 3 5351 2 a-Alanine, conf. II
303628.5405 4.9259 -4.1754 3 455.5022327 89503 3035451 4 5351 3 a-Alanine, conf. II
303633.1236 1.5430 -4.9615 3 79.7557153 89503 3032520 5 2418 6 a-Alanine, conf. II
303633.1236 1.5430 -4.9615 3 79.7557153 89503 3032520 6 2418 7 a-Alanine, conf. II
303683.6530 1.4501 -2.9414 3 283.1016315 89503 303522033 512032 a-Alanine, conf. II
303686.3311 0.5558 -4.3304 3 114.9063201 89503 303331618 321419 a-Alanine, conf. II
303739.5049 4.7991 -4.0392 3 448.2564327 89503 3035450 4 5350 3 a-Alanine, conf. II
303739.5049 4.7991 -4.0392 3 448.2564327 89503 3035450 5 5350 4 a-Alanine, conf. II
303821.2056 10.4093 -2.8993 3 328.3350381 89503 30363 459 62 458 a-Alanine, conf. II
303821.2056 10.4093 -4.0299 3 328.3350381 89503 30363 459 62 558 a-Alanine, conf. II
303821.2056 10.4093 -4.0299 3 328.3350381 89503 30363 559 62 458 a-Alanine, conf. II
303821.2056 10.4093 -2.8993 3 328.3350381 89503 30363 559 62 558 a-Alanine, conf. II
303857.9419 4.6767 -3.9313 3 441.1578327 89503 3035449 5 5349 4 a-Alanine, conf. II
303857.9419 4.6767 -3.9313 3 441.1578327 89503 3035449 6 5349 5 a-Alanine, conf. II
303931.6160 3.0906 -3.0900 3 320.8406321 89503 303532925 522924 a-Alanine, conf. II
303931.6200 3.0906 -3.0900 3 320.8406321 89503 303532924 522923 a-Alanine, conf. II
303966.1458 2.0760 -4.2480 3 307.5290339 89503 303561442 551541 a-Alanine, conf. II
303966.1491 2.0760 -2.9464 3 307.5290339 89503 303561542 551541 a-Alanine, conf. II
303966.1544 2.0760 -2.9464 3 307.5290339 89503 303561442 551441 a-Alanine, conf. II
303966.1577 2.0760 -4.2480 3 307.5290339 89503 303561542 551441 a-Alanine, conf. II
303984.4978 4.5589 -3.8416 3 434.2066327 89503 3035448 6 5348 5 a-Alanine, conf. II
303984.4978 4.5589 -3.8416 3 434.2066327 89503 3035448 7 5348 6 a-Alanine, conf. II
304119.8945 4.4457 -3.7643 3 427.4031327 89503 3035447 7 5347 6 a-Alanine, conf. II
304119.8945 4.4457 -3.7643 3 427.4031327 89503 3035447 8 5347 7 a-Alanine, conf. II
304226.4653 2.0285 -4.7446 3 158.2248237 89503 303391623 381524 a-Alanine, conf. II
304248.0827 2.2208 -3.9832 3 151.6514201 89503 3033328 5 3227 6 a-Alanine, conf. II
304248.0827 2.2208 -3.9832 3 151.6514201 89503 3033328 6 3227 5 a-Alanine, conf. II
304253.9274 5.0356 -2.9180 3 325.3314369 89503 30361 754 60 753 a-Alanine, conf. II
304253.9274 5.0356 -4.0826 3 325.3314369 89503 30361 754 60 853 a-Alanine, conf. II
304253.9274 5.0356 -4.0826 3 325.3314369 89503 30361 854 60 753 a-Alanine, conf. II
304253.9274 5.0356 -2.9180 3 325.3314369 89503 30361 854 60 853 a-Alanine, conf. II
304264.9410 4.3371 -3.6964 3 420.7477327 89503 3035446 8 5346 7 a-Alanine, conf. II
304264.9410 4.3371 -3.6964 3 420.7477327 89503 3035446 9 5346 8 a-Alanine, conf. II
304267.0485 1.4109 -4.4453 3 290.6031321 89503 303531835 521934 a-Alanine, conf. II
304328.9864 3.1717 -2.9735 3 290.6050315 89503 303522330 512329 a-Alanine, conf. II
304420.5471 4.2333 -3.6356 3 414.2408327 89503 3035445 9 5345 8 a-Alanine, conf. II
304420.5471 4.2333 -3.6356 3 414.2408327 89503 303544510 5345 9 a-Alanine, conf. II
304504.8053 0.2902 -4.4323 3 107.7093201 89503 303331222 321023 a-Alanine, conf. II
304587.7396 4.1345 -3.5806 3 407.8829327 89503 303544410 5344 9 a-Alanine, conf. II
304587.7396 4.1345 -3.5806 3 407.8829327 89503 303544411 534410 a-Alanine, conf. II
304598.1211 0.4083 -4.3662 3 115.9179207 89503 303341222 331023 a-Alanine, conf. II
304660.5210 24.2085 -2.8701 3 332.8206399 89503 30366 066 65 065 a-Alanine, conf. II
304660.5210 24.2085 -3.9661 3 332.8206399 89503 30366 066 65 165 a-Alanine, conf. II
304660.5210 24.2085 -3.9661 3 332.8206399 89503 30366 166 65 065 a-Alanine, conf. II
304660.5210 24.2085 -2.8701 3 332.8206399 89503 30366 166 65 165 a-Alanine, conf. II
304673.1051 3.1218 -3.0675 3 317.0009321 89503 303532826 522825 a-Alanine, conf. II
304673.1565 3.1219 -3.0675 3 317.0010321 89503 303532825 522824 a-Alanine, conf. II
304680.7781 2.7853 -2.9332 3 320.4505357 89503 303591049 581048 a-Alanine, conf. II
304680.7781 2.7853 -4.1427 3 320.4505357 89503 303591049 581148 a-Alanine, conf. II
304680.7781 2.7853 -4.1427 3 320.4505357 89503 303591149 581048 a-Alanine, conf. II
304680.7781 2.7853 -2.9332 3 320.4505357 89503 303591149 581148 a-Alanine, conf. II
304719.0912 0.9414 -4.1301 3 160.4833225 89503 303372315 362214 a-Alanine, conf. II
304719.0933 0.9414 -4.1301 3 160.4833225 89503 303372314 362215 a-Alanine, conf. II
304767.5413 0.8597 -4.0507 3 150.3495231 89503 303381622 371423 a-Alanine, conf. II
304767.6821 4.0406 -3.5302 3 401.6744327 89503 303544311 534310 a-Alanine, conf. II
304767.6821 4.0406 -3.5302 3 401.6744327 89503 303544312 534311 a-Alanine, conf. II
304777.6155 1.3619 -2.9438 3 290.6031321 89503 303531935 521934 a-Alanine, conf. II
304822.9396 1.0898 -2.9191 3 272.6046309 89503 303511932 501931 a-Alanine, conf. II
304940.0161 0.6053 -4.3802 3 179.6793249 89503 303411923 401822 a-Alanine, conf. II
304961.6993 3.9519 -3.4837 3 395.6159327 89503 303544212 534211 a-Alanine, conf. II
304961.6993 3.9519 -3.4837 3 395.6159327 89503 303544213 534212 a-Alanine, conf. II
305104.0333 13.5276 -4.7905 3 319.1547333 89503 303552134 542233 a-Alanine, conf. II
305171.3064 3.8686 -3.4406 3 389.7081327 89503 303544113 534112 a-Alanine, conf. II
305171.3064 3.8686 -3.4406 3 389.7081327 89503 303544114 534113 a-Alanine, conf. II
305183.9513 13.3954 -2.8927 3 332.2843387 89503 30364 361 63 360 a-Alanine, conf. II
305183.9513 13.3954 -4.0135 3 332.2843387 89503 30364 361 63 460 a-Alanine, conf. II
305183.9513 13.3954 -4.0135 3 332.2843387 89503 30364 461 63 360 a-Alanine, conf. II
305183.9513 13.3954 -2.8927 3 332.2843387 89503 30364 461 63 460 a-Alanine, conf. II
305222.4553 3.9385 -2.9709 3 290.6321315 89503 303522329 512328 a-Alanine, conf. II
305226.0874 2.2676 -4.2162 3 313.6233345 89503 303571344 561443 a-Alanine, conf. II
305226.0874 2.2676 -2.9440 3 313.6233345 89503 303571444 561443 a-Alanine, conf. II
305226.0876 2.2676 -2.9440 3 313.6233345 89503 303571344 561343 a-Alanine, conf. II
305226.0877 2.2676 -4.2162 3 313.6233345 89503 303571444 561343 a-Alanine, conf. II
305242.1196 1.2033 -4.7515 3 86.9624165 89503 3032719 8 2617 9 a-Alanine, conf. II
305242.1264 1.2033 -4.7515 3 86.9624165 89503 3032719 9 261710 a-Alanine, conf. II
305306.6440 1.3958 -2.9421 3 290.5685321 89503 303531835 521834 a-Alanine, conf. II
305311.2434 3.0233 -4.5397 3 293.2314321 89503 303531934 522033 a-Alanine, conf. II
305359.7621 1.5690 -4.3706 3 297.8003327 89503 303541737 531836 a-Alanine, conf. II
305360.0714 0.6993 -4.4537 3 104.4747189 89503 303311714 301515 a-Alanine, conf. II
305390.0879 1.5751 -2.9468 3 297.8003327 89503 303541837 531836 a-Alanine, conf. II
305398.2464 3.7907 -3.4004 3 383.9517327 89503 303544014 534013 a-Alanine, conf. II
305398.2464 3.7907 -3.4004 3 383.9517327 89503 303544015 534014 a-Alanine, conf. II
305427.3224 1.5814 -2.9467 3 297.7981327 89503 303541737 531736 a-Alanine, conf. II
305457.6482 1.5882 -4.3703 3 297.7981327 89503 303541837 531736 a-Alanine, conf. II
305529.8200 1.8965 -4.0080 3 154.0942207 89503 3033427 7 3326 8 a-Alanine, conf. II
305529.8200 1.8965 -4.0080 3 154.0942207 89503 3033427 8 3326 7 a-Alanine, conf. II
305530.6302 0.6963 -4.4534 3 104.4689189 89503 303311715 301516 a-Alanine, conf. II
305537.7582 3.1790 -3.0457 3 313.3438321 89503 303532727 522726 a-Alanine, conf. II
305538.3307 3.1799 -3.0457 3 313.3438321 89503 303532726 522725 a-Alanine, conf. II
305590.8522 2.8858 -2.9558 3 287.9689315 89503 303522231 512230 a-Alanine, conf. II
305596.9555 2.1532 -2.9443 3 285.5112315 89503 303522132 512131 a-Alanine, conf. II
305635.3174 6.6729 -2.9124 3 329.9036375 89503 30362 656 61 655 a-Alanine, conf. II
305635.3174 6.6729 -4.0643 3 329.9036375 89503 30362 656 61 755 a-Alanine, conf. II
305635.3174 6.6729 -4.0643 3 329.9036375 89503 30362 756 61 655 a-Alanine, conf. II
305635.3174 6.6729 -2.9124 3 329.9036375 89503 30362 756 61 755 a-Alanine, conf. II
305644.5357 3.7186 -3.3627 3 378.3474327 89503 303543915 533914 a-Alanine, conf. II
305644.5357 3.7186 -3.3627 3 378.3474327 89503 303543916 533915 a-Alanine, conf. II
305686.7006 0.7812 -4.1717 3 164.5989231 89503 303382217 372116 a-Alanine, conf. II
305686.8298 0.7812 -4.1717 3 164.5989231 89503 303382216 372117 a-Alanine, conf. II
305817.2110 1.5265 -4.4403 3 290.5685321 89503 303531935 521834 a-Alanine, conf. II
305912.5229 3.6526 -3.3273 3 372.8963327 89503 303543816 533815 a-Alanine, conf. II
305912.5229 3.6526 -3.3273 3 372.8963327 89503 303543817 533816 a-Alanine, conf. II
305951.9769 3.3212 -3.9173 3 152.0613189 89503 3033131 0 3030 1 a-Alanine, conf. II
305951.9769 3.3212 -3.9173 3 152.0613189 89503 3033131 1 3030 0 a-Alanine, conf. II
305975.7123 3.1670 -4.5797 3 222.6595279 89503 303461928 451827 a-Alanine, conf. II
306056.7746 3.3574 -2.9287 3 325.6582363 89503 30360 951 59 950 a-Alanine, conf. II
306056.7746 3.3574 -4.1210 3 325.6582363 89503 30360 951 591050 a-Alanine, conf. II
306056.7746 3.3574 -4.1210 3 325.6582363 89503 303601051 59 950 a-Alanine, conf. II
306056.7746 3.3574 -2.9287 3 325.6582363 89503 303601051 591050 a-Alanine, conf. II
306096.3726 0.9170 -4.5901 3 95.1777177 89503 303291811 281612 a-Alanine, conf. II
306098.1306 0.9169 -4.5901 3 95.1776177 89503 303291812 281613 a-Alanine, conf. II
306204.9646 3.5929 -3.2938 3 367.5993327 89503 303543717 533716 a-Alanine, conf. II
306204.9646 3.5929 -3.2938 3 367.5993327 89503 303543718 533717 a-Alanine, conf. II
306246.9705 1.8207 -4.3181 3 304.6878333 89503 303551639 541738 a-Alanine, conf. II
306248.3078 1.8211 -2.9480 3 304.6878333 89503 303551739 541738 a-Alanine, conf. II
306250.1557 1.8216 -2.9480 3 304.6877333 89503 303551639 541638 a-Alanine, conf. II
306251.4930 1.8220 -4.3181 3 304.6877333 89503 303551739 541638 a-Alanine, conf. II
306253.5507 1.3638 -4.4865 3 177.5385249 89503 303411823 401724 a-Alanine, conf. II
306428.8408 0.6736 -4.2217 3 169.1356237 89503 303392119 382018 a-Alanine, conf. II
306434.1645 0.6734 -4.2217 3 169.1354237 89503 303392118 382019 a-Alanine, conf. II
306525.1229 3.5401 -3.2622 3 362.4577327 89503 303543618 533617 a-Alanine, conf. II
306525.1229 3.5401 -3.2622 3 362.4577327 89503 303543619 533618 a-Alanine, conf. II
306536.2788 16.9796 -2.8860 3 336.0421393 89503 30365 263 64 262 a-Alanine, conf. II
306536.2788 16.9796 -3.9978 3 336.0421393 89503 30365 263 64 362 a-Alanine, conf. II
306536.2788 16.9796 -3.9978 3 336.0421393 89503 30365 363 64 262 a-Alanine, conf. II
306536.2788 16.9796 -2.8860 3 336.0421393 89503 30365 363 64 362 a-Alanine, conf. II
306538.9460 2.4550 -2.9410 3 319.4968351 89503 303581246 571245 a-Alanine, conf. II
306538.9460 2.4550 -4.1883 3 319.4968351 89503 303581246 571345 a-Alanine, conf. II
306538.9460 2.4550 -4.1883 3 319.4968351 89503 303581346 571245 a-Alanine, conf. II
306538.9460 2.4550 -2.9410 3 319.4968351 89503 303581346 571345 a-Alanine, conf. II
306563.6923 3.2717 -3.0246 3 309.8778321 89503 303532628 522627 a-Alanine, conf. II
306569.2386 3.2794 -3.0246 3 309.8779321 89503 303532627 522626 a-Alanine, conf. II
306696.4321 0.6264 -4.2856 3 174.1310243 89503 303402021 391920 a-Alanine, conf. II
306786.3483 1.6022 -4.0349 3 156.8961213 89503 3033526 9 342510 a-Alanine, conf. II
306786.3483 1.6022 -4.0349 3 156.8961213 89503 303352610 3425 9 a-Alanine, conf. II
306842.7363 0.6317 -4.2852 3 174.1272243 89503 303402020 391921 a-Alanine, conf. II
306876.8969 3.4946 -3.2322 3 357.4729327 89503 303543519 533518 a-Alanine, conf. II
306876.8969 3.4946 -3.2322 3 357.4729327 89503 303543520 533519 a-Alanine, conf. II
306930.1471 4.9956 -2.9252 3 275.8715309 89503 303512130 502129 a-Alanine, conf. II
306934.0888 0.2639 -4.5980 3 97.4697195 89503 30332 923 31 724 a-Alanine, conf. II
306976.1461 0.2644 -4.5979 3 97.4697195 89503 303321023 31 824 a-Alanine, conf. II
307011.2778 8.7878 -2.9065 3 334.2827381 89503 30363 558 62 557 a-Alanine, conf. II
307011.2778 8.7878 -4.0469 3 334.2827381 89503 30363 558 62 657 a-Alanine, conf. II
307011.2778 8.7878 -4.0469 3 334.2827381 89503 30363 658 62 557 a-Alanine, conf. II
307011.2778 8.7878 -2.9065 3 334.2827381 89503 30363 658 62 657 a-Alanine, conf. II
307260.6494 2.9067 -3.9381 3 153.6495195 89503 3033230 2 3129 3 a-Alanine, conf. II
307260.6494 2.9067 -3.9381 3 153.6495195 89503 3033230 3 3129 2 a-Alanine, conf. II
307264.9985 3.4573 -3.2037 3 352.6466327 89503 303543420 533419 a-Alanine, conf. II
307264.9985 3.4573 -3.2037 3 352.6466327 89503 303543421 533420 a-Alanine, conf. II
307316.8939 2.0652 -4.2764 3 311.3017339 89503 303561541 551640 a-Alanine, conf. II
307316.9398 2.0653 -2.9477 3 311.3017339 89503 303561641 551640 a-Alanine, conf. II
307317.0093 2.0653 -2.9477 3 311.3016339 89503 303561541 551540 a-Alanine, conf. II
307317.0552 2.0653 -4.2764 3 311.3016339 89503 303561641 551540 a-Alanine, conf. II
307438.0807 4.2703 -2.9239 3 330.6673369 89503 30361 853 60 852 a-Alanine, conf. II
307438.0807 4.2703 -4.1009 3 330.6673369 89503 30361 853 60 952 a-Alanine, conf. II
307438.0807 4.2703 -4.1009 3 330.6673369 89503 30361 953 60 852 a-Alanine, conf. II
307438.0807 4.2703 -2.9239 3 330.6673369 89503 30361 953 60 952 a-Alanine, conf. II
307487.2372 0.7612 -4.3751 3 179.6157249 89503 303411922 401823 a-Alanine, conf. II
307547.4774 0.2901 -4.8111 3 87.2110189 89503 30331 724 30 525 a-Alanine, conf. II
307548.0799 0.2901 -4.8111 3 87.2110189 89503 30331 824 30 625 a-Alanine, conf. II
307695.1980 3.4290 -3.1765 3 347.9808327 89503 303543321 533320 a-Alanine, conf. II
307695.1980 3.4290 -3.1765 3 347.9808327 89503 303543322 533321 a-Alanine, conf. II
307801.1873 3.4053 -3.0039 3 306.6146321 89503 303532529 522528 a-Alanine, conf. II
307847.1487 3.4615 -3.0038 3 306.6157321 89503 303532528 522527 a-Alanine, conf. II
307865.4850 1.3280 -2.9258 3 282.7723315 89503 303521933 511932 a-Alanine, conf. II
307877.1076 21.2220 -2.8791 3 339.6084399 89503 30366 165 65 164 a-Alanine, conf. II
307877.1076 21.2220 -3.9827 3 339.6084399 89503 30366 165 65 264 a-Alanine, conf. II
307877.1076 21.2220 -3.9827 3 339.6084399 89503 30366 265 65 164 a-Alanine, conf. II
307877.1076 21.2220 -2.8791 3 339.6084399 89503 30366 265 65 264 a-Alanine, conf. II
307884.4229 2.6933 -2.9375 3 325.1582357 89503 303591148 581147 a-Alanine, conf. II
307884.4229 2.6933 -4.1633 3 325.1582357 89503 303591148 581247 a-Alanine, conf. II
307884.4229 2.6933 -4.1633 3 325.1582357 89503 303591248 581147 a-Alanine, conf. II
307884.4229 2.6933 -2.9375 3 325.1582357 89503 303591248 581247 a-Alanine, conf. II
307974.1571 7.0145 -4.6413 3 306.0788327 89503 303542034 532133 a-Alanine, conf. II
308003.1177 1.3388 -4.0645 3 160.0641219 89503 303362511 352412 a-Alanine, conf. II
308003.1177 1.3388 -4.0645 3 160.0641219 89503 303362512 352411 a-Alanine, conf. II
308174.6705 3.4109 -3.1506 3 343.4779327 89503 303543222 533221 a-Alanine, conf. II
308174.6705 3.4109 -3.1506 3 343.4779327 89503 303543223 533222 a-Alanine, conf. II
308185.6474 0.7091 -4.4134 3 187.7540255 89503 303421924 411823 a-Alanine, conf. II
308379.6400 11.4248 -2.9005 3 338.4694387 89503 30364 460 63 459 a-Alanine, conf. II
308379.6400 11.4248 -4.0304 3 338.4694387 89503 30364 460 63 559 a-Alanine, conf. II
308379.6400 11.4248 -4.0304 3 338.4694387 89503 30364 560 63 459 a-Alanine, conf. II
308379.6400 11.4248 -2.9005 3 338.4694387 89503 30364 560 63 559 a-Alanine, conf. II
308408.3523 1.4655 -2.9403 3 293.2314321 89503 303532034 522033 a-Alanine, conf. II
308481.9828 0.5626 -4.2923 3 121.3459207 89503 303341619 331420 a-Alanine, conf. II
308512.0379 2.2878 -4.2416 3 317.6682345 89503 303571443 561542 a-Alanine, conf. II
308512.0392 2.2878 -2.9463 3 317.6682345 89503 303571543 561542 a-Alanine, conf. II
308512.0413 2.2878 -2.9463 3 317.6682345 89503 303571443 561442 a-Alanine, conf. II
308512.0425 2.2878 -4.2416 3 317.6682345 89503 303571543 561442 a-Alanine, conf. II
308562.8984 2.5235 -3.9601 3 155.5851201 89503 3033329 4 3228 5 a-Alanine, conf. II
308562.8984 2.5235 -3.9601 3 155.5851201 89503 3033329 5 3228 4 a-Alanine, conf. II
308674.8746 0.3835 -4.3608 3 115.9239207 89503 303341322 331123 a-Alanine, conf. II
308712.5053 3.4050 -3.1258 3 339.1408327 89503 303543123 533122 a-Alanine, conf. II
308712.5053 3.4050 -3.1258 3 339.1408327 89503 303543124 533123 a-Alanine, conf. II
308789.9762 2.4439 -4.5479 3 213.5524273 89503 303451927 441826 a-Alanine, conf. II
308819.8276 5.5960 -2.9188 3 335.4802375 89503 30362 755 61 754 a-Alanine, conf. II
308819.8276 5.5960 -4.0820 3 335.4802375 89503 30362 755 61 854 a-Alanine, conf. II
308819.8276 5.5960 -4.0820 3 335.4802375 89503 30362 855 61 754 a-Alanine, conf. II
308819.8276 5.5960 -2.9188 3 335.4802375 89503 30362 855 61 854 a-Alanine, conf. II
308933.2067 1.5202 -4.4221 3 300.7694327 89503 303541836 531935 a-Alanine, conf. II
308990.1942 1.5051 -4.8769 3 84.4886159 89503 3032620 6 2518 7 a-Alanine, conf. II
308990.1942 1.5051 -4.8769 3 84.4886159 89503 3032620 7 2518 8 a-Alanine, conf. II
309009.6378 5.5969 -4.6973 3 488.2374333 89503 3035554 1 5454 0 a-Alanine, conf. II
309009.6378 5.5969 -4.6973 3 488.2374333 89503 3035554 2 5454 1 a-Alanine, conf. II
309106.8676 5.4580 -4.3840 3 480.5550333 89503 3035553 2 5453 1 a-Alanine, conf. II
309106.8676 5.4580 -4.3840 3 480.5550333 89503 3035553 3 5453 2 a-Alanine, conf. II
309157.7959 1.1085 -4.0974 3 163.6077225 89503 303372414 362313 a-Alanine, conf. II
309157.7960 1.1085 -4.0974 3 163.6077225 89503 303372413 362314 a-Alanine, conf. II
309177.3260 1.5257 -2.9441 3 300.7694327 89503 303541936 531935 a-Alanine, conf. II
309205.5803 26.1878 -2.8720 3 342.9830405 89503 30367 067 66 066 a-Alanine, conf. II
309205.5803 26.1878 -3.9680 3 342.9830405 89503 30367 067 66 166 a-Alanine, conf. II
309205.5803 26.1878 -3.9680 3 342.9830405 89503 30367 167 66 066 a-Alanine, conf. II
309205.5803 26.1878 -2.8720 3 342.9830405 89503 30367 167 66 166 a-Alanine, conf. II
309210.3326 5.3235 -4.1960 3 473.0192333 89503 3035552 3 5452 2 a-Alanine, conf. II
309210.3326 5.3235 -4.1960 3 473.0192333 89503 3035552 4 5452 3 a-Alanine, conf. II
309249.3554 3.0782 -2.9337 3 330.6135363 89503 303601050 591049 a-Alanine, conf. II
309249.3554 3.0782 -4.1405 3 330.6135363 89503 303601050 591149 a-Alanine, conf. II
309249.3554 3.0782 -4.1405 3 330.6135363 89503 303601150 591049 a-Alanine, conf. II
309249.3554 3.0782 -2.9337 3 330.6135363 89503 303601150 591149 a-Alanine, conf. II
309250.4894 1.8219 -4.8734 3 148.9323231 89503 303381523 371424 a-Alanine, conf. II
309276.6860 3.5411 -2.9836 3 303.5695321 89503 303532430 522429 a-Alanine, conf. II
309320.4786 3.4136 -3.1021 3 334.9729327 89503 303543025 533024 a-Alanine, conf. II
309320.4794 3.4136 -3.1021 3 334.9729327 89503 303543024 533023 a-Alanine, conf. II
309320.5336 5.1935 -4.0594 3 465.6301333 89503 3035551 4 5451 3 a-Alanine, conf. II
309320.5336 5.1935 -4.0594 3 465.6301333 89503 3035551 5 5451 4 a-Alanine, conf. II
309438.0257 5.0681 -3.9512 3 458.3881333 89503 3035550 5 5450 4 a-Alanine, conf. II
309438.0257 5.0681 -3.9512 3 458.3881333 89503 3035550 6 5450 5 a-Alanine, conf. II
309443.7737 1.5513 -2.9432 3 300.7524327 89503 303541836 531835 a-Alanine, conf. II
309463.8104 5.3366 -2.9435 3 288.1222315 89503 303522230 512229 a-Alanine, conf. II
309482.6118 0.6910 -4.4094 3 110.4858195 89503 303321715 311516 a-Alanine, conf. II
309563.4258 4.9474 -3.8611 3 451.2934333 89503 3035549 6 5449 5 a-Alanine, conf. II
309563.4258 4.9474 -3.8611 3 451.2934333 89503 3035549 7 5449 6 a-Alanine, conf. II
309574.4006 2.8423 -2.9030 3 274.1880309 89503 303512031 502030 a-Alanine, conf. II
309593.6427 3.8768 -2.9827 3 303.5782321 89503 303532429 522428 a-Alanine, conf. II
309687.8930 1.6058 -4.4197 3 300.7524327 89503 303541936 531835 a-Alanine, conf. II
309697.4212 4.8313 -3.7835 3 444.3464333 89503 3035548 7 5448 6 a-Alanine, conf. II
309697.4212 4.8313 -3.7835 3 444.3464333 89503 3035548 8 5448 7 a-Alanine, conf. II
309738.7289 14.6346 -2.8943 3 342.4641393 89503 30365 362 64 361 a-Alanine, conf. II
309738.7289 14.6346 -4.0146 3 342.4641393 89503 30365 362 64 461 a-Alanine, conf. II
309738.7289 14.6346 -4.0146 3 342.4641393 89503 30365 462 64 361 a-Alanine, conf. II
309738.7289 14.6346 -2.8943 3 342.4641393 89503 30365 462 64 461 a-Alanine, conf. II
309783.6850 2.4871 -4.2114 3 323.8045351 89503 303581345 571444 a-Alanine, conf. II
309783.6850 2.4871 -2.9442 3 323.8045351 89503 303581445 571444 a-Alanine, conf. II
309783.6851 2.4871 -2.9442 3 323.8045351 89503 303581345 571344 a-Alanine, conf. II
309783.6851 2.4871 -4.2114 3 323.8045351 89503 303581445 571344 a-Alanine, conf. II
309815.0080 1.7633 -4.3565 3 307.9870333 89503 303551738 541837 a-Alanine, conf. II
309828.3805 1.7667 -2.9471 3 307.9870333 89503 303551838 541837 a-Alanine, conf. II
309840.7804 4.7201 -3.7152 3 437.5475333 89503 3035547 8 5447 7 a-Alanine, conf. II
309840.7804 4.7201 -3.7152 3 437.5475333 89503 3035547 9 5447 8 a-Alanine, conf. II
309845.3338 1.7703 -2.9470 3 307.9860333 89503 303551738 541737 a-Alanine, conf. II
309853.5815 2.1709 -3.9836 3 157.8720207 89503 3033428 6 3327 7 a-Alanine, conf. II
309853.5815 2.1709 -3.9836 3 157.8720207 89503 3033428 7 3327 6 a-Alanine, conf. II
309858.7063 1.7738 -4.3563 3 307.9860333 89503 303551838 541737 a-Alanine, conf. II
309905.1524 0.6834 -4.4085 3 110.4713195 89503 303321716 311517 a-Alanine, conf. II
309994.3651 4.6137 -3.6540 3 430.8969333 89503 3035546 9 5446 8 a-Alanine, conf. II
309994.3651 4.6137 -3.6540 3 430.8969333 89503 303554610 5446 9 a-Alanine, conf. II
310014.2785 3.4406 -3.0792 3 330.9787327 89503 303542926 532925 a-Alanine, conf. II
310014.2905 3.4406 -3.0792 3 330.9787327 89503 303542925 532924 a-Alanine, conf. II
310105.6232 1.0350 -4.4549 3 196.0866261 89503 303431925 421824 a-Alanine, conf. II
310159.1453 4.5124 -3.5986 3 424.3952333 89503 303554510 5445 9 a-Alanine, conf. II
310159.1453 4.5124 -3.5986 3 424.3952333 89503 303554511 544510 a-Alanine, conf. II
310198.4326 7.3834 -2.9135 3 340.0985381 89503 30363 657 62 656 a-Alanine, conf. II
310198.4326 7.3834 -4.0643 3 340.0985381 89503 30363 657 62 756 a-Alanine, conf. II
310198.4326 7.3834 -4.0643 3 340.0985381 89503 30363 757 62 656 a-Alanine, conf. II
310198.4326 7.3834 -2.9135 3 340.0985381 89503 30363 757 62 756 a-Alanine, conf. II
310214.8616 0.9167 -4.1349 3 167.5391231 89503 303382316 372215 a-Alanine, conf. II
310214.8694 0.9167 -4.1349 3 167.5391231 89503 303382315 372216 a-Alanine, conf. II
310318.0709 1.6573 -4.5025 3 204.6873267 89503 303441926 431825 a-Alanine, conf. II
310336.2170 4.4162 -3.5479 3 418.0428333 89503 303554411 544410 a-Alanine, conf. II
310336.2170 4.4162 -3.5479 3 418.0428333 89503 303554412 544411 a-Alanine, conf. II
310420.1020 0.5599 -4.2586 3 126.2202213 89503 303351521 341322 a-Alanine, conf. II
310427.4708 1.1691 -4.6884 3 92.1007171 89503 3032819 9 271710 a-Alanine, conf. II
310427.4988 1.1691 -4.6884 3 92.1007171 89503 303281910 271711 a-Alanine, conf. II
310526.8239 4.3253 -3.5010 3 411.8404333 89503 303554312 544311 a-Alanine, conf. II
310526.8239 4.3253 -3.5010 3 411.8404333 89503 303554313 544312 a-Alanine, conf. II
310624.8117 3.7283 -2.9295 3 335.8672369 89503 30361 952 60 951 a-Alanine, conf. II
310624.8117 3.7283 -4.1196 3 335.8672369 89503 30361 952 601051 a-Alanine, conf. II
310624.8117 3.7283 -4.1196 3 335.8672369 89503 303611052 60 951 a-Alanine, conf. II
310624.8117 3.7283 -2.9295 3 335.8672369 89503 303611052 601051 a-Alanine, conf. II
310732.3836 4.2397 -3.4575 3 405.7884333 89503 303554213 544212 a-Alanine, conf. II
310732.3836 4.2397 -3.4575 3 405.7884333 89503 303554214 544213 a-Alanine, conf. II
310743.6185 2.0290 -4.3081 3 314.9031339 89503 303561640 551739 a-Alanine, conf. II
310744.1726 2.0292 -2.9482 3 314.9031339 89503 303561740 551739 a-Alanine, conf. II
310744.9559 2.0295 -2.9482 3 314.9031339 89503 303561640 551639 a-Alanine, conf. II
310745.5099 2.0297 -4.3081 3 314.9031339 89503 303561740 551639 a-Alanine, conf. II
310815.5280 3.4914 -3.0572 3 327.1638327 89503 303542827 532826 a-Alanine, conf. II
310815.6716 3.4917 -3.0572 3 327.1638327 89503 303542826 532825 a-Alanine, conf. II
310816.7654 3.4915 -2.9643 3 300.7563321 89503 303532331 522330 a-Alanine, conf. II
310954.5205 4.1599 -3.4170 3 399.8875333 89503 303554114 544113 a-Alanine, conf. II
310954.5205 4.1599 -3.4170 3 399.8875333 89503 303554115 544114 a-Alanine, conf. II
310975.4418 0.8902 -4.5383 3 100.7365183 89503 303301812 291613 a-Alanine, conf. II
310981.0159 0.8900 -4.5383 3 100.7363183 89503 303301813 291614 a-Alanine, conf. II
310999.0326 1.4856 -2.9314 3 293.0416321 89503 303531934 521933 a-Alanine, conf. II
311002.9250 2.0573 -2.9405 3 295.7048321 89503 303532133 522132 a-Alanine, conf. II
311087.2345 18.4737 -2.8879 3 346.2671399 89503 30366 264 65 263 a-Alanine, conf. II
311087.2345 18.4737 -3.9994 3 346.2671399 89503 30366 264 65 363 a-Alanine, conf. II
311087.2345 18.4737 -3.9994 3 346.2671399 89503 30366 364 65 263 a-Alanine, conf. II
311087.2345 18.4737 -2.8879 3 346.2671399 89503 30366 364 65 363 a-Alanine, conf. II
311102.7320 2.6890 -2.9415 3 329.7218357 89503 303591247 581246 a-Alanine, conf. II
311102.7320 2.6890 -4.1848 3 329.7218357 89503 303591247 581346 a-Alanine, conf. II
311102.7320 2.6890 -4.1848 3 329.7218357 89503 303591347 581246 a-Alanine, conf. II
311102.7320 2.6890 -2.9415 3 329.7218357 89503 303591347 581346 a-Alanine, conf. II
311114.4084 0.7729 -4.1787 3 171.8760237 89503 303392218 382117 a-Alanine, conf. II
311114.8240 0.7729 -4.1787 3 171.8760237 89503 303392217 382118 a-Alanine, conf. II
311125.1452 1.8488 -4.0091 3 160.5147213 89503 3033527 8 3426 9 a-Alanine, conf. II
311125.1452 1.8488 -4.0091 3 160.5147213 89503 3033527 9 3426 8 a-Alanine, conf. II
311195.1061 4.0858 -3.3789 3 394.1387333 89503 303554015 544014 a-Alanine, conf. II
311195.1061 4.0858 -3.3789 3 394.1387333 89503 303554016 544015 a-Alanine, conf. II
311351.9144 2.2195 -4.4975 3 303.5188327 89503 303541935 532034 a-Alanine, conf. II
311456.3105 4.0179 -3.3431 3 388.5426333 89503 303553916 543915 a-Alanine, conf. II
311456.3105 4.0179 -3.3431 3 388.5426333 89503 303553917 543916 a-Alanine, conf. II
311498.9251 0.2625 -4.5097 3 105.5274201 89503 303331023 32 824 a-Alanine, conf. II
311568.7808 3.2652 -3.9171 3 157.8845195 89503 3033231 1 3130 2 a-Alanine, conf. II
311568.7808 3.2652 -3.9171 3 157.8845195 89503 3033231 2 3130 1 a-Alanine, conf. II
311571.2041 9.6752 -2.9080 3 344.5235387 89503 30364 559 63 558 a-Alanine, conf. II
311571.2041 9.6752 -4.0476 3 344.5235387 89503 30364 559 63 658 a-Alanine, conf. II
311571.2041 9.6752 -4.0476 3 344.5235387 89503 30364 659 63 558 a-Alanine, conf. II
311571.2041 9.6752 -2.9080 3 344.5235387 89503 30364 659 63 658 a-Alanine, conf. II
311676.8965 0.2662 -4.5093 3 105.5275201 89503 303331123 32 924 a-Alanine, conf. II
311695.9097 0.6628 -4.3020 3 181.8916249 89503 303412022 401921 a-Alanine, conf. II
311728.0655 2.9574 -2.9486 3 298.1623321 89503 303532232 522231 a-Alanine, conf. II
311739.7496 0.6897 -4.2320 3 176.6446243 89503 303402120 392019 a-Alanine, conf. II
311740.6674 3.9564 -3.3093 3 383.1004333 89503 303553817 543816 a-Alanine, conf. II
311740.6674 3.9564 -3.3093 3 383.1004333 89503 303553818 543817 a-Alanine, conf. II
311754.7020 0.6898 -4.2319 3 176.6442243 89503 303402119 392020 a-Alanine, conf. II
311755.0887 3.5749 -3.0359 3 323.5355327 89503 303542728 532727 a-Alanine, conf. II
311756.5874 3.5774 -3.0359 3 323.5355327 89503 303542727 532726 a-Alanine, conf. II
311758.8158 19.3035 -4.8568 3 343.4874345 89503 303572235 562334 a-Alanine, conf. II
311846.2512 2.2842 -4.2691 3 321.5526345 89503 303571542 561641 a-Alanine, conf. II
311846.2692 2.2842 -2.9480 3 321.5526345 89503 303571642 561641 a-Alanine, conf. II
311846.2970 2.2842 -2.9480 3 321.5526345 89503 303571542 561541 a-Alanine, conf. II
311846.3151 2.2842 -4.2691 3 321.5526345 89503 303571642 561541 a-Alanine, conf. II
312004.5115 4.7475 -2.9250 3 340.9224375 89503 30362 854 61 853 a-Alanine, conf. II
312004.5115 4.7475 -4.1003 3 340.9224375 89503 30362 854 61 953 a-Alanine, conf. II
312004.5115 4.7475 -4.1003 3 340.9224375 89503 30362 954 61 853 a-Alanine, conf. II
312004.5115 4.7475 -2.9250 3 340.9224375 89503 30362 954 61 953 a-Alanine, conf. II
312051.1585 3.9019 -3.2773 3 377.8132333 89503 303553718 543717 a-Alanine, conf. II
312051.1585 3.9019 -3.2773 3 377.8132333 89503 303553719 543718 a-Alanine, conf. II
312053.7665 0.6860 -4.3012 3 181.8824249 89503 303412021 401922 a-Alanine, conf. II
312366.4151 1.5575 -4.0368 3 163.5193219 89503 303362610 352511 a-Alanine, conf. II
312366.4151 1.5575 -4.0368 3 163.5193219 89503 303362611 352510 a-Alanine, conf. II
312391.3245 3.8547 -3.2469 3 372.6822333 89503 303553619 543618 a-Alanine, conf. II
312391.3245 3.8547 -3.2469 3 372.6822333 89503 303553620 543619 a-Alanine, conf. II
312424.1228 23.0043 -2.8813 3 349.8781405 89503 30367 166 66 165 a-Alanine, conf. II
312424.1228 23.0043 -3.9847 3 349.8781405 89503 30367 166 66 265 a-Alanine, conf. II
312424.1228 23.0043 -3.9847 3 349.8781405 89503 30367 266 66 165 a-Alanine, conf. II
312424.1228 23.0043 -2.8813 3 349.8781405 89503 30367 266 66 265 a-Alanine, conf. II
312451.0231 2.9580 -2.9383 3 335.4281363 89503 303601149 591148 a-Alanine, conf. II
312451.0231 2.9580 -4.1609 3 335.4281363 89503 303601149 591248 a-Alanine, conf. II
312451.0231 2.9580 -4.1609 3 335.4281363 89503 303601249 591148 a-Alanine, conf. II
312451.0231 2.9580 -2.9383 3 335.4281363 89503 303601249 591248 a-Alanine, conf. II
312525.5254 4.9725 -2.9593 3 300.8132321 89503 303532330 522329 a-Alanine, conf. II
312676.0557 1.6239 -4.1396 3 148.8181231 89503 303381523 371324 a-Alanine, conf. II
312765.4133 3.8156 -3.2180 3 367.7092333 89503 303553520 543519 a-Alanine, conf. II
312765.4133 3.8156 -3.2180 3 367.7092333 89503 303553521 543520 a-Alanine, conf. II
312784.0801 0.3224 -4.9439 3 84.6523189 89503 30331 625 30 426 a-Alanine, conf. II
312784.1125 0.3223 -4.9439 3 84.6523189 89503 30331 725 30 526 a-Alanine, conf. II
312874.5071 2.8521 -3.9382 3 159.6677201 89503 3033330 3 3229 4 a-Alanine, conf. II
312874.5071 2.8521 -3.9382 3 159.6677201 89503 3033330 4 3229 3 a-Alanine, conf. II
312876.9218 3.7016 -3.0152 3 320.1037327 89503 303542629 532628 a-Alanine, conf. II
312890.4567 3.7213 -3.0151 3 320.1040327 89503 303542628 532627 a-Alanine, conf. II
312936.0842 12.5177 -2.9023 3 348.7558393 89503 30365 461 64 460 a-Alanine, conf. II
312936.0842 12.5177 -4.0316 3 348.7558393 89503 30365 461 64 560 a-Alanine, conf. II
312936.0842 12.5177 -4.0316 3 348.7558393 89503 30365 561 64 460 a-Alanine, conf. II
312936.0842 12.5177 -2.9023 3 348.7558393 89503 30365 561 64 560 a-Alanine, conf. II
312965.3499 1.5479 -2.9405 3 303.5188327 89503 303542035 532034 a-Alanine, conf. II
313035.4873 0.2926 -4.6950 3 95.0856195 89503 30332 824 31 625 a-Alanine, conf. II
313038.9405 0.2926 -4.6950 3 95.0856195 89503 30332 924 31 725 a-Alanine, conf. II
313059.8355 2.5140 -4.2362 3 327.9591351 89503 303581444 571543 a-Alanine, conf. II
313059.8359 2.5140 -2.9469 3 327.9591351 89503 303581544 571543 a-Alanine, conf. II
313059.8367 2.5141 -2.9469 3 327.9591351 89503 303581444 571443 a-Alanine, conf. II
313059.8372 2.5141 -4.2362 3 327.9591351 89503 303581544 571443 a-Alanine, conf. II
313114.9481 1.4820 -4.0474 3 157.9283237 89503 303391623 381424 a-Alanine, conf. II
313176.8139 0.6927 -4.3680 3 116.7183201 89503 303331716 321517 a-Alanine, conf. II
313178.5823 3.7855 -3.1905 3 362.8959333 89503 303553421 543420 a-Alanine, conf. II
313178.5823 3.7855 -3.1905 3 362.8959333 89503 303553422 543421 a-Alanine, conf. II
313326.7320 0.5201 -4.2982 3 124.3404213 89503 303351422 341223 a-Alanine, conf. II
313383.9098 6.2063 -2.9203 3 345.7813381 89503 30363 756 62 755 a-Alanine, conf. II
313383.9098 6.2063 -4.0821 3 345.7813381 89503 30363 756 62 855 a-Alanine, conf. II
313383.9098 6.2063 -4.0821 3 345.7813381 89503 30363 856 62 755 a-Alanine, conf. II
313383.9098 6.2063 -2.9203 3 345.7813381 89503 30363 856 62 855 a-Alanine, conf. II
313456.2710 1.6971 -4.4030 3 311.0825333 89503 303551837 541936 a-Alanine, conf. II
313460.0923 1.0448 -4.4043 3 187.6247255 89503 303421923 411824 a-Alanine, conf. II
313553.2742 4.0534 -4.5376 3 282.7723315 89503 303522033 511932 a-Alanine, conf. II
313560.5972 1.2988 -4.0673 3 166.8936225 89503 303372512 362413 a-Alanine, conf. II
313560.5972 1.2988 -4.0673 3 166.8936225 89503 303372513 362412 a-Alanine, conf. II
313570.3133 1.7104 -2.9449 3 311.0825333 89503 303551937 541936 a-Alanine, conf. II
313637.1814 3.7655 -3.1643 3 358.2444333 89503 303553322 543321 a-Alanine, conf. II
313637.1814 3.7655 -3.1643 3 358.2444333 89503 303553323 543322 a-Alanine, conf. II
313700.3903 1.7280 -2.9445 3 311.0743333 89503 303551837 541836 a-Alanine, conf. II
313748.5731 28.2935 -2.8745 3 353.2970411 89503 30368 068 67 067 a-Alanine, conf. II
313748.5731 28.2935 -3.9704 3 353.2970411 89503 30368 068 67 167 a-Alanine, conf. II
313748.5731 28.2935 -3.9704 3 353.2970411 89503 30368 168 67 067 a-Alanine, conf. II
313748.5731 28.2935 -2.8745 3 353.2970411 89503 30368 168 67 167 a-Alanine, conf. II
313814.4326 1.7535 -4.4020 3 311.0743333 89503 303551937 541836 a-Alanine, conf. II
313816.6059 3.3990 -2.9348 3 340.9290369 89503 303611051 601050 a-Alanine, conf. II
313816.6059 3.3990 -4.1391 3 340.9290369 89503 303611051 601150 a-Alanine, conf. II
313816.6059 3.3990 -4.1391 3 340.9290369 89503 303611151 601050 a-Alanine, conf. II
313816.6059 3.3990 -2.9348 3 340.9290369 89503 303611151 601150 a-Alanine, conf. II
313867.5333 0.5854 -4.2591 3 127.9775213 89503 303351620 341421 a-Alanine, conf. II
314096.1415 3.0781 -4.5087 3 293.0416321 89503 303532034 521933 a-Alanine, conf. II
314149.1593 3.7574 -3.1392 3 353.7575333 89503 303553223 543222 a-Alanine, conf. II
314149.1593 3.7574 -3.1392 3 353.7575333 89503 303553224 543223 a-Alanine, conf. II
314158.8751 0.6748 -4.3661 3 116.6844201 89503 303331717 321518 a-Alanine, conf. II
314171.7013 2.4704 -3.9607 3 161.8001207 89503 3033429 5 3328 6 a-Alanine, conf. II
314171.7013 2.4704 -3.9607 3 161.8001207 89503 3033429 6 3328 5 a-Alanine, conf. II
314230.9567 3.8674 -2.9948 3 316.8817327 89503 303542530 532529 a-Alanine, conf. II
314275.6077 1.9729 -4.3443 3 318.3218339 89503 303561739 551838 a-Alanine, conf. II
314281.4095 1.9747 -2.9479 3 318.3218339 89503 303561839 551838 a-Alanine, conf. II
314288.9802 1.9766 -2.9478 3 318.3214339 89503 303561739 551738 a-Alanine, conf. II
314291.4772 15.9634 -2.8964 3 352.7959399 89503 30366 363 65 362 a-Alanine, conf. II
314291.4772 15.9634 -4.0163 3 352.7959399 89503 30366 363 65 462 a-Alanine, conf. II
314291.4772 15.9634 -4.0163 3 352.7959399 89503 30366 463 65 362 a-Alanine, conf. II
314291.4772 15.9634 -2.8964 3 352.7959399 89503 30366 463 65 462 a-Alanine, conf. II
314294.7819 1.9784 -4.3442 3 318.3214339 89503 303561839 551738 a-Alanine, conf. II
314305.5539 1.4666 -4.8019 3 89.4174165 89503 3032720 7 2618 8 a-Alanine, conf. II
314305.5541 1.4666 -4.8019 3 89.4174165 89503 3032720 8 2618 9 a-Alanine, conf. II
314334.7591 4.0000 -2.9945 3 316.8844327 89503 303542529 532528 a-Alanine, conf. II
314341.6509 2.7220 -2.9450 3 334.1378357 89503 303591346 581345 a-Alanine, conf. II
314341.6509 2.7220 -4.2075 3 334.1378357 89503 303591346 581445 a-Alanine, conf. II
314341.6509 2.7220 -4.2075 3 334.1378357 89503 303591446 581345 a-Alanine, conf. II
314341.6509 2.7220 -2.9450 3 334.1378357 89503 303591446 581445 a-Alanine, conf. II
314449.0233 1.5976 -2.9357 3 303.4154327 89503 303541935 531934 a-Alanine, conf. II
314556.2769 1.9235 -2.9033 3 284.5143315 89503 303522032 512031 a-Alanine, conf. II
314590.5439 6.0279 -4.7197 3 506.3704339 89503 3035655 1 5555 0 a-Alanine, conf. II
314590.5439 6.0279 -4.7197 3 506.3704339 89503 3035655 2 5555 1 a-Alanine, conf. II
314681.7798 1.0764 -4.1016 3 170.6477231 89503 303382415 372314 a-Alanine, conf. II
314681.7802 1.0764 -4.1016 3 170.6477231 89503 303382414 372315 a-Alanine, conf. II
314687.3020 5.8856 -4.4060 3 498.5448339 89503 3035654 2 5554 1 a-Alanine, conf. II
314687.3020 5.8856 -4.4060 3 498.5448339 89503 3035654 3 5554 2 a-Alanine, conf. II
314692.5608 4.9162 -4.5645 3 272.6046309 89503 303512032 501931 a-Alanine, conf. II
314724.6667 3.7632 -3.1151 3 349.4383333 89503 303553125 543124 a-Alanine, conf. II
314724.6669 3.7632 -3.1151 3 349.4383333 89503 303553124 543123 a-Alanine, conf. II
314759.6394 8.1534 -2.9154 3 350.4456387 89503 30364 658 63 657 a-Alanine, conf. II
314759.6394 8.1534 -4.0651 3 350.4456387 89503 30364 658 63 757 a-Alanine, conf. II
314759.6394 8.1534 -4.0651 3 350.4456387 89503 30364 758 63 657 a-Alanine, conf. II
314759.6394 8.1534 -2.9154 3 350.4456387 89503 30364 758 63 757 a-Alanine, conf. II
314782.6041 1.3102 -4.9548 3 139.8495225 89503 303371423 361324 a-Alanine, conf. II
314790.1664 5.7479 -4.2176 3 490.8657339 89503 3035653 3 5553 2 a-Alanine, conf. II
314790.1664 5.7479 -4.2176 3 490.8657339 89503 3035653 4 5553 3 a-Alanine, conf. II
314807.2173 5.0208 -2.9101 3 286.1095315 89503 303522131 512130 a-Alanine, conf. II
314899.6176 5.6148 -4.0807 3 483.3333339 89503 3035652 4 5552 3 a-Alanine, conf. II
314899.6176 5.6148 -4.0807 3 483.3333339 89503 3035652 5 5552 4 a-Alanine, conf. II
315016.1870 5.4863 -3.9721 3 475.9479339 89503 3035651 5 5551 4 a-Alanine, conf. II
315016.1870 5.4863 -3.9721 3 475.9479339 89503 3035651 6 5551 5 a-Alanine, conf. II
315140.4638 5.3627 -3.8816 3 468.7098339 89503 3035650 6 5550 5 a-Alanine, conf. II
315140.4638 5.3627 -3.8816 3 468.7098339 89503 3035650 7 5550 6 a-Alanine, conf. II
315191.2730 4.1349 -2.9310 3 346.2285375 89503 30362 953 61 952 a-Alanine, conf. II
315191.2730 4.1349 -4.1190 3 346.2285375 89503 30362 953 611052 a-Alanine, conf. II
315191.2730 4.1349 -4.1190 3 346.2285375 89503 303621053 61 952 a-Alanine, conf. II
315191.2730 4.1349 -2.9310 3 346.2285375 89503 303621053 611052 a-Alanine, conf. II
315248.2490 2.2530 -4.2996 3 325.2685345 89503 303571641 561740 a-Alanine, conf. II
315248.4757 2.2531 -2.9490 3 325.2685345 89503 303571741 561740 a-Alanine, conf. II
315248.8031 2.2532 -2.9490 3 325.2684345 89503 303571641 561640 a-Alanine, conf. II
315249.0297 2.2533 -4.2996 3 325.2684345 89503 303571741 561640 a-Alanine, conf. II
315273.1032 5.2439 -3.8036 3 461.6194339 89503 3035649 7 5549 6 a-Alanine, conf. II
315273.1032 5.2439 -3.8036 3 461.6194339 89503 3035649 8 5549 7 a-Alanine, conf. II
315329.9911 0.2986 -4.4320 3 113.7994207 89503 303341123 33 924 a-Alanine, conf. II
315376.9886 3.7864 -3.0920 3 345.2907333 89503 303553026 543025 a-Alanine, conf. II
315376.9914 3.7864 -3.0920 3 345.2907333 89503 303553025 543024 a-Alanine, conf. II
315414.8359 5.1300 -3.7350 3 454.6768339 89503 3035648 8 5548 7 a-Alanine, conf. II
315414.8359 5.1300 -3.7350 3 454.6768339 89503 3035648 9 5548 8 a-Alanine, conf. II
315454.4186 2.1196 -3.9848 3 164.2856213 89503 3033528 7 3427 8 a-Alanine, conf. II
315454.4186 2.1196 -3.9848 3 164.2856213 89503 3033528 8 3427 7 a-Alanine, conf. II
315544.8095 2.2105 -4.5422 3 185.5611255 89503 303421824 411725 a-Alanine, conf. II
315545.5192 1.1351 -4.6304 3 97.4384177 89503 303291910 281711 a-Alanine, conf. II
315545.6265 1.1351 -4.6304 3 97.4384177 89503 303291911 281712 a-Alanine, conf. II
315566.4793 5.0211 -3.6734 3 447.8826339 89503 3035647 9 5547 8 a-Alanine, conf. II
315566.4793 5.0211 -3.6734 3 447.8826339 89503 303564710 5547 9 a-Alanine, conf. II
315573.2920 2.7155 -4.6750 3 175.5558249 89503 303411724 401625 a-Alanine, conf. II
315636.1318 20.0706 -2.8903 3 356.6438405 89503 30367 265 66 264 a-Alanine, conf. II
315636.1318 20.0706 -4.0015 3 356.6438405 89503 30367 265 66 364 a-Alanine, conf. II
315636.1318 20.0706 -4.0015 3 356.6438405 89503 30367 365 66 264 a-Alanine, conf. II
315636.1318 20.0706 -2.8903 3 356.6438405 89503 30367 365 66 364 a-Alanine, conf. II
315665.9970 2.9413 -2.9426 3 340.0991363 89503 303601248 591247 a-Alanine, conf. II
315665.9970 2.9413 -4.1821 3 340.0991363 89503 303601248 591347 a-Alanine, conf. II
315665.9970 2.9413 -4.1821 3 340.0991363 89503 303601348 591247 a-Alanine, conf. II
315665.9970 2.9413 -2.9426 3 340.0991363 89503 303601348 591347 a-Alanine, conf. II
315688.3017 0.8978 -4.1408 3 174.7955237 89503 303392317 382216 a-Alanine, conf. II
315688.3292 0.8978 -4.1408 3 174.7955237 89503 303392316 382217 a-Alanine, conf. II
315728.9511 4.9173 -3.6176 3 441.2372339 89503 303564610 5546 9 a-Alanine, conf. II
315728.9511 4.9173 -3.6176 3 441.2372339 89503 303564611 554610 a-Alanine, conf. II
315731.8311 0.8656 -4.4899 3 106.5003189 89503 303311813 301614 a-Alanine, conf. II
315748.4168 0.8652 -4.4899 3 106.4998189 89503 303311814 301615 a-Alanine, conf. II
315796.9782 3.9785 -2.9749 3 313.8859327 89503 303542431 532430 a-Alanine, conf. II
315875.7571 3.6514 -3.8971 3 162.2668195 89503 3033232 0 3131 1 a-Alanine, conf. II
315875.7571 3.6514 -3.8971 3 162.2668195 89503 3033232 1 3131 0 a-Alanine, conf. II
315895.9966 1.2612 -4.2342 3 139.8124225 89503 303371423 361224 a-Alanine, conf. II
315903.2852 4.8188 -3.5665 3 434.7410339 89503 303564511 554510 a-Alanine, conf. II
315903.2852 4.8188 -3.5665 3 434.7410339 89503 303564512 554511 a-Alanine, conf. II
315993.7166 0.3069 -4.4307 3 113.7999207 89503 303341223 331024 a-Alanine, conf. II
316062.4588 2.3650 -4.4820 3 303.4154327 89503 303542035 531934 a-Alanine, conf. II
316090.6512 4.7257 -3.5193 3 428.3945339 89503 303564412 554411 a-Alanine, conf. II
316090.6512 4.7257 -3.5193 3 428.3945339 89503 303564413 554412 a-Alanine, conf. II
316103.6749 1.9624 -2.9388 3 306.0788327 89503 303542134 532133 a-Alanine, conf. II
316124.0468 3.8318 -3.0697 3 341.3196333 89503 303552927 542926 a-Alanine, conf. II
316124.0816 3.8319 -3.0697 3 341.3196333 89503 303552926 542925 a-Alanine, conf. II
316129.1554 10.6327 -2.9102 3 354.9164393 89503 30365 560 64 559 a-Alanine, conf. II
316129.1554 10.6327 -4.0489 3 354.9164393 89503 30365 560 64 659 a-Alanine, conf. II
316129.1554 10.6327 -4.0489 3 354.9164393 89503 30365 660 64 559 a-Alanine, conf. II
316129.1554 10.6327 -2.9102 3 354.9164393 89503 30365 660 64 659 a-Alanine, conf. II
316223.3030 0.7093 -4.3293 3 123.1819207 89503 303341717 331518 a-Alanine, conf. II
316292.3779 4.6380 -3.4755 3 422.1984339 89503 303564313 554312 a-Alanine, conf. II
316292.3779 4.6380 -3.4755 3 422.1984339 89503 303564314 554313 a-Alanine, conf. II
316355.7125 5.0247 -4.5747 3 316.6229333 89503 303552035 542134 a-Alanine, conf. II
316379.4579 2.5181 -4.2629 3 331.9547351 89503 303581543 571642 a-Alanine, conf. II
316379.4649 2.5181 -2.9490 3 331.9547351 89503 303581643 571642 a-Alanine, conf. II
316379.4759 2.5181 -2.9490 3 331.9547351 89503 303581543 571542 a-Alanine, conf. II
316379.4830 2.5182 -4.2629 3 331.9547351 89503 303581643 571542 a-Alanine, conf. II
316448.8061 4.6911 -2.9731 3 313.9052327 89503 303542430 532429 a-Alanine, conf. II
316451.1223 0.7000 -4.3221 3 189.8723255 89503 303422023 411922 a-Alanine, conf. II
316508.2142 0.7752 -4.1870 3 179.3570243 89503 303402219 392118 a-Alanine, conf. II
316509.4884 0.7752 -4.1870 3 179.3569243 89503 303402218 392119 a-Alanine, conf. II
316509.9825 4.5561 -3.4345 3 416.1533339 89503 303564214 554213 a-Alanine, conf. II
316509.9825 4.5561 -3.4345 3 416.1533339 89503 303564215 554214 a-Alanine, conf. II
316569.1972 5.2688 -2.9268 3 351.3297381 89503 30363 855 62 854 a-Alanine, conf. II
316569.1972 5.2688 -4.1004 3 351.3297381 89503 30363 855 62 954 a-Alanine, conf. II
316569.1972 5.2688 -4.1004 3 351.3297381 89503 30363 955 62 854 a-Alanine, conf. II
316569.1972 5.2688 -2.9268 3 351.3297381 89503 30363 955 62 954 a-Alanine, conf. II
316605.6194 1.8934 -4.4662 3 313.9582333 89503 303551936 542035 a-Alanine, conf. II
316713.9634 1.8000 -4.0109 3 167.1294219 89503 3033627 9 352610 a-Alanine, conf. II
316713.9634 1.8000 -4.0109 3 167.1294219 89503 303362710 3526 9 a-Alanine, conf. II
316745.2061 4.4802 -3.3961 3 410.2599339 89503 303564115 554114 a-Alanine, conf. II
316745.2061 4.4802 -3.3961 3 410.2599339 89503 303564116 554115 a-Alanine, conf. II
316969.0592 24.9036 -2.8841 3 360.2995411 89503 30368 167 67 166 a-Alanine, conf. II
316969.0592 24.9036 -3.9873 3 360.2995411 89503 30368 167 67 266 a-Alanine, conf. II
316969.0592 24.9036 -3.9873 3 360.2995411 89503 30368 267 67 166 a-Alanine, conf. II
316969.0592 24.9036 -2.8841 3 360.2995411 89503 30368 267 67 266 a-Alanine, conf. II
316987.4923 0.7200 -4.2442 3 184.3624249 89503 303412121 402020 a-Alanine, conf. II
316990.8972 3.9069 -3.0482 3 337.5314333 89503 303552828 542827 a-Alanine, conf. II
316991.2860 3.9076 -3.0482 3 337.5314333 89503 303552827 542826 a-Alanine, conf. II
317000.0590 4.4104 -3.3599 3 404.5190339 89503 303564016 554015 a-Alanine, conf. II
317000.0590 4.4104 -3.3599 3 404.5190339 89503 303564017 554016 a-Alanine, conf. II
317016.5595 3.2460 -2.9398 3 345.8503369 89503 303611150 601149 a-Alanine, conf. II
317016.5595 3.2460 -4.1593 3 345.8503369 89503 303611150 601249 a-Alanine, conf. II
317016.5595 3.2460 -4.1593 3 345.8503369 89503 303611250 601149 a-Alanine, conf. II
317016.5595 3.2460 -2.9398 3 345.8503369 89503 303611250 601249 a-Alanine, conf. II
317027.6374 0.7218 -4.2441 3 184.3613249 89503 303412120 402021 a-Alanine, conf. II
317107.7347 11.0453 -4.6940 3 329.9350339 89503 303562135 552234 a-Alanine, conf. II
317183.8215 3.2074 -3.9174 3 163.8986201 89503 3033331 2 3230 3 a-Alanine, conf. II
317183.8215 3.2074 -3.9174 3 163.8986201 89503 3033331 3 3230 2 a-Alanine, conf. II
317226.0010 3.7435 -2.9566 3 311.1240327 89503 303542332 532331 a-Alanine, conf. II
317276.8771 4.3472 -3.3257 3 398.9317339 89503 303563917 553916 a-Alanine, conf. II
317276.8771 4.3472 -3.3257 3 398.9317339 89503 303563918 553917 a-Alanine, conf. II
317286.3050 0.7760 -4.3203 3 189.8510255 89503 303422022 411923 a-Alanine, conf. II
317350.4130 5.2673 -4.5813 3 262.5514303 89503 303502031 491930 a-Alanine, conf. II
317417.1526 1.6872 -2.9417 3 313.9582333 89503 303552036 542035 a-Alanine, conf. II
317470.2655 26.3695 -4.9261 3 368.7036357 89503 303592336 582435 a-Alanine, conf. II
317490.5039 13.6923 -2.9048 3 359.1942399 89503 30366 462 65 461 a-Alanine, conf. II
317490.5039 13.6923 -4.0334 3 359.1942399 89503 30366 462 65 561 a-Alanine, conf. II
317490.5039 13.6923 -4.0334 3 359.1942399 89503 30366 562 65 461 a-Alanine, conf. II
317490.5039 13.6923 -2.9048 3 359.1942399 89503 30366 562 65 561 a-Alanine, conf. II
317578.3950 4.2909 -3.2934 3 393.4989339 89503 303563818 553817 a-Alanine, conf. II
317578.3950 4.2909 -3.2934 3 393.4989339 89503 303563819 553818 a-Alanine, conf. II
317608.5762 2.9240 -2.9436 3 308.5604327 89503 303542233 532232 a-Alanine, conf. II
317609.0787 2.7554 -4.2318 3 338.4016357 89503 303591445 581544 a-Alanine, conf. II
317609.0789 2.7554 -2.9481 3 338.4016357 89503 303591545 581544 a-Alanine, conf. II
317609.0792 2.7554 -2.9481 3 338.4016357 89503 303591445 581444 a-Alanine, conf. II
317609.0794 2.7554 -4.2318 3 338.4016357 89503 303591545 581444 a-Alanine, conf. II
317754.5547 6.3670 -2.9286 3 298.4448321 89503 303532231 522230 a-Alanine, conf. II
317884.3426 0.4424 -4.3637 3 122.2788213 89503 303351223 341024 a-Alanine, conf. II
317903.6741 1.8085 -4.9412 3 87.1098159 89503 3032621 5 2519 6 a-Alanine, conf. II
317903.6741 1.8085 -4.9412 3 87.1098159 89503 3032621 6 2519 7 a-Alanine, conf. II
317907.8402 4.2420 -3.2627 3 388.2221339 89503 303563719 553718 a-Alanine, conf. II
317907.8402 4.2420 -3.2627 3 388.2221339 89503 303563720 553719 a-Alanine, conf. II
317918.7301 1.9036 -4.3872 3 321.5421339 89503 303561838 551937 a-Alanine, conf. II
317937.4820 1.5126 -4.0395 3 170.3380225 89503 303372611 362512 a-Alanine, conf. II
317937.4820 1.5126 -4.0395 3 170.3380225 89503 303372612 362511 a-Alanine, conf. II
317946.1284 6.8698 -2.9224 3 356.2347387 89503 30364 757 63 756 a-Alanine, conf. II
317946.1284 6.8698 -4.0829 3 356.2347387 89503 30364 757 63 856 a-Alanine, conf. II
317946.1284 6.8698 -4.0829 3 356.2347387 89503 30364 857 63 756 a-Alanine, conf. II
317946.1284 6.8698 -2.9224 3 356.2347387 89503 30364 857 63 856 a-Alanine, conf. II
317970.9213 1.9138 -2.9464 3 321.5421339 89503 303561938 551937 a-Alanine, conf. II
318013.5680 4.0227 -3.0273 3 333.9345333 89503 303552729 542728 a-Alanine, conf. II
318017.3629 4.0292 -3.0273 3 333.9346333 89503 303552728 542727 a-Alanine, conf. II
318032.7724 1.9249 -2.9462 3 321.5382339 89503 303561838 551837 a-Alanine, conf. II
318084.9636 1.9379 -4.3867 3 321.5382339 89503 303561938 551837 a-Alanine, conf. II
318206.5708 0.2831 -4.5950 3 103.1851201 89503 30333 924 32 725 a-Alanine, conf. II
318219.0550 1.7337 -2.9392 3 313.9043333 89503 303551936 541935 a-Alanine, conf. II
318223.9835 0.2833 -4.5949 3 103.1851201 89503 303331024 32 825 a-Alanine, conf. II
318245.0087 0.7720 -4.3023 3 130.9555219 89503 303361323 351124 a-Alanine, conf. II
318269.0591 4.2012 -3.2334 3 383.1025339 89503 303563620 553619 a-Alanine, conf. II
318269.0591 4.2012 -3.2334 3 383.1025339 89503 303563621 553620 a-Alanine, conf. II
318289.4743 30.5315 -2.8776 3 363.7625417 89503 30369 069 68 068 a-Alanine, conf. II
318289.4743 30.5315 -3.9735 3 363.7625417 89503 30369 069 68 168 a-Alanine, conf. II
318289.4743 30.5315 -3.9735 3 363.7625417 89503 30369 169 68 068 a-Alanine, conf. II
318289.4743 30.5315 -2.8776 3 363.7625417 89503 30369 169 68 168 a-Alanine, conf. II
318330.4194 0.7469 -4.2927 3 129.8898213 89503 303351718 341519 a-Alanine, conf. II
318354.7816 0.6708 -4.3258 3 123.1078207 89503 303341718 331519 a-Alanine, conf. II
318382.4463 3.7500 -2.9366 3 351.3968375 89503 303621052 611051 a-Alanine, conf. II
318382.4463 3.7500 -4.1384 3 351.3968375 89503 303621052 611151 a-Alanine, conf. II
318382.4463 3.7500 -4.1384 3 351.3968375 89503 303621152 611051 a-Alanine, conf. II
318382.4463 3.7500 -2.9366 3 351.3968375 89503 303621152 611151 a-Alanine, conf. II
318390.3949 1.3854 -2.9097 3 295.0068321 89503 303532033 522032 a-Alanine, conf. II
318485.6968 2.7956 -3.9389 3 165.8777207 89503 3033430 4 3329 5 a-Alanine, conf. II
318485.6968 2.7956 -3.9389 3 165.8777207 89503 3033430 5 3329 4 a-Alanine, conf. II
318544.8458 0.8594 -4.1525 3 151.5543231 89503 303381721 371522 a-Alanine, conf. II
318588.8250 0.3331 -4.8071 3 92.5581195 89503 30332 725 31 526 a-Alanine, conf. II
318589.0478 0.3331 -4.8071 3 92.5581195 89503 30332 825 31 626 a-Alanine, conf. II
318666.6854 4.1694 -3.2056 3 378.1419339 89503 303563521 553520 a-Alanine, conf. II
318666.6854 4.1694 -3.2056 3 378.1419339 89503 303563522 553521 a-Alanine, conf. II
318745.4558 2.1988 -4.3339 3 328.8051345 89503 303571740 561839 a-Alanine, conf. II
318747.9356 2.1997 -2.9492 3 328.8051345 89503 303571840 561839 a-Alanine, conf. II
318751.2576 2.2007 -2.9492 3 328.8049345 89503 303571740 561739 a-Alanine, conf. II
318753.7374 2.2016 -4.3339 3 328.8049345 89503 303571840 561739 a-Alanine, conf. II
318842.1642 17.3863 -2.8992 3 363.2795405 89503 30367 364 66 363 a-Alanine, conf. II
318842.1642 17.3863 -4.0186 3 363.2795405 89503 30367 364 66 463 a-Alanine, conf. II
318842.1642 17.3863 -4.0186 3 363.2795405 89503 30367 464 66 363 a-Alanine, conf. II
318842.1642 17.3863 -2.8992 3 363.2795405 89503 30367 464 66 463 a-Alanine, conf. II
318863.4763 0.7695 -4.0857 3 159.2478237 89503 303391722 381523 a-Alanine, conf. II
318899.7234 2.9733 -2.9465 3 344.6231363 89503 303601347 591346 a-Alanine, conf. II
318899.7234 2.9733 -4.2046 3 344.6231363 89503 303601347 591446 a-Alanine, conf. II
318899.7234 2.9733 -4.2046 3 344.6231363 89503 303601447 591346 a-Alanine, conf. II
318899.7234 2.9733 -2.9465 3 344.6231363 89503 303601447 591446 a-Alanine, conf. II
319030.5882 2.0473 -4.4586 3 313.9043333 89503 303552036 541935 a-Alanine, conf. II
319097.5704 0.8640 -4.2106 3 144.0804225 89503 303371720 361521 a-Alanine, conf. II
319105.6059 1.2601 -4.0711 3 173.9200231 89503 303382514 372413 a-Alanine, conf. II
319105.6060 1.2601 -4.0711 3 173.9200231 89503 303382513 372414 a-Alanine, conf. II
319106.3725 4.1476 -3.1790 3 373.3424339 89503 303563422 553421 a-Alanine, conf. II
319106.3725 4.1476 -3.1790 3 373.3424339 89503 303563423 553422 a-Alanine, conf. II
319241.2676 4.1890 -3.0069 3 330.5401333 89503 303552630 542629 a-Alanine, conf. II
319257.3734 0.8064 -4.2554 3 136.8546219 89503 303361719 351520 a-Alanine, conf. II
319273.1256 0.6535 -4.2474 3 132.9569219 89503 303361522 351323 a-Alanine, conf. II
319273.1737 4.2375 -3.0068 3 330.5409333 89503 303552629 542628 a-Alanine, conf. II
319318.8969 8.9866 -2.9178 3 360.9449393 89503 30365 659 64 658 a-Alanine, conf. II
319318.8969 8.9866 -4.0664 3 360.9449393 89503 30365 659 64 758 a-Alanine, conf. II
319318.8969 8.9866 -4.0664 3 360.9449393 89503 30365 759 64 658 a-Alanine, conf. II
319318.8969 8.9866 -2.9178 3 360.9449393 89503 30365 759 64 758 a-Alanine, conf. II
319573.9416 1.4276 -4.7345 3 94.5429171 89503 3032820 8 2718 9 a-Alanine, conf. II
319573.9428 1.4276 -4.7345 3 94.5429171 89503 3032820 9 271810 a-Alanine, conf. II
319595.1224 4.1373 -3.1535 3 368.7062339 89503 303563323 553322 a-Alanine, conf. II
319595.1224 4.1373 -3.1535 3 368.7062339 89503 303563324 553323 a-Alanine, conf. II
319756.0944 4.5797 -2.9330 3 356.7422381 89503 30363 954 62 953 a-Alanine, conf. II
319756.0944 4.5797 -4.1191 3 356.7422381 89503 30363 954 621053 a-Alanine, conf. II
319756.0944 4.5797 -4.1191 3 356.7422381 89503 303631054 62 953 a-Alanine, conf. II
319756.0944 4.5797 -2.9330 3 356.7422381 89503 303631054 621053 a-Alanine, conf. II
319759.7031 2.4931 -4.2923 3 335.7840351 89503 303581642 571741 a-Alanine, conf. II
319759.7947 2.4932 -2.9505 3 335.7840351 89503 303581742 571741 a-Alanine, conf. II
319759.9297 2.4932 -2.9505 3 335.7840351 89503 303581642 571641 a-Alanine, conf. II
319760.0214 2.4933 -4.2923 3 335.7840351 89503 303581742 571641 a-Alanine, conf. II
319776.6662 2.4155 -3.9619 3 168.2076213 89503 3033529 6 3428 7 a-Alanine, conf. II
319776.6662 2.4155 -3.9619 3 168.2076213 89503 3033529 7 3428 6 a-Alanine, conf. II
320036.4033 2.6958 -4.8098 3 165.7922243 89503 303401624 391525 a-Alanine, conf. II
320041.9195 0.4203 -4.3601 3 122.2814213 89503 303351323 341124 a-Alanine, conf. II
320080.7586 0.6406 -4.2321 3 134.7918219 89503 303361621 351422 a-Alanine, conf. II
320141.7631 4.1407 -3.1291 3 364.2364339 89503 303563224 553223 a-Alanine, conf. II
320141.7631 4.1407 -3.1291 3 364.2364339 89503 303563225 553224 a-Alanine, conf. II
320169.4396 6.4870 -4.7430 3 524.8328345 89503 3035756 1 5656 0 a-Alanine, conf. II
320169.4396 6.4870 -4.7430 3 524.8328345 89503 3035756 2 5656 1 a-Alanine, conf. II
320182.9414 21.7753 -2.8934 3 367.1723411 89503 30368 266 67 265 a-Alanine, conf. II
320182.9414 21.7753 -4.0043 3 367.1723411 89503 30368 266 67 365 a-Alanine, conf. II
320182.9414 21.7753 -4.0043 3 367.1723411 89503 30368 366 67 265 a-Alanine, conf. II
320182.9414 21.7753 -2.8934 3 367.1723411 89503 30368 366 67 365 a-Alanine, conf. II
320188.2445 1.0483 -4.1068 3 177.8868237 89503 303392416 382315 a-Alanine, conf. II
320188.2460 1.0483 -4.1068 3 177.8868237 89503 303392415 382316 a-Alanine, conf. II
320228.5791 3.2132 -2.9444 3 350.6286369 89503 303611249 601248 a-Alanine, conf. II
320228.5791 3.2132 -4.1803 3 350.6286369 89503 303611249 601348 a-Alanine, conf. II
320228.5791 3.2132 -4.1803 3 350.6286369 89503 303611349 601248 a-Alanine, conf. II
320228.5791 3.2132 -2.9444 3 350.6286369 89503 303611349 601348 a-Alanine, conf. II
320265.7268 6.3414 -4.4290 3 516.8640345 89503 3035755 2 5655 1 a-Alanine, conf. II
320265.7268 6.3414 -4.4290 3 516.8640345 89503 3035755 3 5655 2 a-Alanine, conf. II
320276.1095 6.3241 -2.9476 3 311.2379327 89503 303542331 532330 a-Alanine, conf. II
320332.0643 1.6034 -4.4421 3 195.8422261 89503 303431924 421825 a-Alanine, conf. II
320338.7171 0.8446 -4.4445 3 112.4713195 89503 303321814 311615 a-Alanine, conf. II
320367.9969 6.2004 -4.2402 3 509.0417345 89503 3035754 3 5654 2 a-Alanine, conf. II
320367.9969 6.2004 -4.2402 3 509.0417345 89503 3035754 4 5654 3 a-Alanine, conf. II
320385.1686 0.8433 -4.4444 3 112.4697195 89503 303321815 311616 a-Alanine, conf. II
320476.7109 6.0642 -4.1029 3 501.3660345 89503 3035753 4 5653 3 a-Alanine, conf. II
320476.7109 6.0642 -4.1029 3 501.3660345 89503 3035753 5 5653 4 a-Alanine, conf. II
320586.9755 1.1018 -4.5767 3 102.9767183 89503 303301911 291712 a-Alanine, conf. II
320587.3587 1.1017 -4.5767 3 102.9767183 89503 303301912 291713 a-Alanine, conf. II
320592.3780 5.9328 -3.9940 3 493.8372345 89503 3035752 5 5652 4 a-Alanine, conf. II
320592.3780 5.9328 -3.9940 3 493.8372345 89503 3035752 6 5652 5 a-Alanine, conf. II
320685.0948 11.6644 -2.9129 3 365.4613399 89503 30366 561 65 560 a-Alanine, conf. II
320685.0948 11.6644 -4.0508 3 365.4613399 89503 30366 561 65 660 a-Alanine, conf. II
320685.0948 11.6644 -4.0508 3 365.4613399 89503 30366 661 65 560 a-Alanine, conf. II
320685.0948 11.6644 -2.9129 3 365.4613399 89503 30366 661 65 660 a-Alanine, conf. II
320712.8877 4.3765 -2.9868 3 327.3634333 89503 303552531 542530 a-Alanine, conf. II
320715.5616 5.8063 -3.9031 3 486.4558345 89503 3035751 6 5651 5 a-Alanine, conf. II
320715.5616 5.8063 -3.9031 3 486.4558345 89503 3035751 7 5651 6 a-Alanine, conf. II
320757.6685 4.1605 -3.1057 3 359.9364339 89503 303563126 553125 a-Alanine, conf. II
320757.6691 4.1605 -3.1057 3 359.9364339 89503 303563125 553124 a-Alanine, conf. II
320789.1720 0.7329 -4.3469 3 198.0806261 89503 303432024 421923 a-Alanine, conf. II
320846.8868 5.6848 -3.8248 3 479.2218345 89503 3035750 7 5650 6 a-Alanine, conf. II
320846.8868 5.6848 -3.8248 3 479.2218345 89503 3035750 8 5650 7 a-Alanine, conf. II
320885.7470 4.9522 -4.5795 3 252.6439297 89503 303492030 481929 a-Alanine, conf. II
320915.7808 2.7678 -4.2579 3 342.5080357 89503 303591544 581643 a-Alanine, conf. II
320915.7835 2.7678 -2.9506 3 342.5080357 89503 303591644 581643 a-Alanine, conf. II
320915.7878 2.7678 -2.9506 3 342.5080357 89503 303591544 581543 a-Alanine, conf. II
320915.7906 2.7678 -4.2579 3 342.5080357 89503 303591644 581543 a-Alanine, conf. II
320938.1686 1.9205 -2.9390 3 316.6229333 89503 303552135 542134 a-Alanine, conf. II
320938.4844 4.6763 -2.9862 3 327.3694333 89503 303552530 542529 a-Alanine, conf. II
320987.0494 5.5683 -3.7557 3 472.1357345 89503 3035749 8 5649 7 a-Alanine, conf. II
320987.0494 5.5683 -3.7557 3 472.1357345 89503 3035749 9 5649 8 a-Alanine, conf. II
321049.8892 2.0670 -3.9866 3 170.8927219 89503 3033628 8 3527 9 a-Alanine, conf. II
321049.8892 2.0670 -3.9866 3 170.8927219 89503 3033628 9 3527 8 a-Alanine, conf. II
321132.0855 5.8372 -2.9292 3 361.8893387 89503 30364 856 63 855 a-Alanine, conf. II
321132.0855 5.8372 -4.1012 3 361.8893387 89503 30364 856 63 955 a-Alanine, conf. II
321132.0855 5.8372 -4.1012 3 361.8893387 89503 30364 956 63 855 a-Alanine, conf. II
321132.0855 5.8372 -2.9292 3 361.8893387 89503 30364 956 63 955 a-Alanine, conf. II
321136.3638 0.8873 -4.1478 3 182.2537243 89503 303402318 392217 a-Alanine, conf. II
321136.4557 0.8873 -4.1478 3 182.2537243 89503 303402317 392218 a-Alanine, conf. II
321136.8256 5.4569 -3.6938 3 465.1979345 89503 3035748 9 5648 8 a-Alanine, conf. II
321136.8256 5.4569 -3.6938 3 465.1979345 89503 303574810 5648 9 a-Alanine, conf. II
321297.0847 5.3507 -3.6377 3 458.4088345 89503 303574710 5647 9 a-Alanine, conf. II
321297.0847 5.3507 -3.6377 3 458.4088345 89503 303574711 564710 a-Alanine, conf. II
321417.6629 1.9005 -4.4422 3 324.5461339 89503 303561937 552036 a-Alanine, conf. II
321457.8898 4.2012 -3.0832 3 355.8105339 89503 303563027 553026 a-Alanine, conf. II
321457.8980 4.2012 -3.0832 3 355.8105339 89503 303563026 553025 a-Alanine, conf. II
321468.8036 5.2499 -3.5862 3 451.7688345 89503 303574611 564610 a-Alanine, conf. II
321468.8036 5.2499 -3.5862 3 451.7688345 89503 303574612 564611 a-Alanine, conf. II
321491.5113 3.5904 -3.8977 3 168.2773201 89503 3033332 1 3231 2 a-Alanine, conf. II
321491.5113 3.5904 -3.8977 3 168.2773201 89503 3033332 2 3231 1 a-Alanine, conf. II
321511.8898 26.9254 -2.8875 3 370.8724417 89503 30369 168 68 167 a-Alanine, conf. II
321511.8898 26.9254 -3.9905 3 370.8724417 89503 30369 168 68 267 a-Alanine, conf. II
321511.8898 26.9254 -3.9905 3 370.8724417 89503 30369 268 68 167 a-Alanine, conf. II
321511.8898 26.9254 -2.8875 3 370.8724417 89503 30369 268 68 267 a-Alanine, conf. II
321513.5029 1.6043 -2.9185 3 305.6272327 89503 303542034 532033 a-Alanine, conf. II
321550.8390 0.9113 -4.0299 3 167.1242243 89503 303401723 391524 a-Alanine, conf. II
321580.9233 3.5592 -2.9419 3 356.4249375 89503 303621151 611150 a-Alanine, conf. II
321580.9233 3.5592 -4.1584 3 356.4249375 89503 303621151 611250 a-Alanine, conf. II
321580.9233 3.5592 -4.1584 3 356.4249375 89503 303621251 611150 a-Alanine, conf. II
321580.9233 3.5592 -2.9419 3 356.4249375 89503 303621251 611250 a-Alanine, conf. II
321653.0840 5.1546 -3.5386 3 445.2784345 89503 303574512 564511 a-Alanine, conf. II
321653.0840 5.1546 -3.5386 3 445.2784345 89503 303574513 564512 a-Alanine, conf. II
321744.6366 4.3598 -2.9007 3 296.6104321 89503 303532132 522131 a-Alanine, conf. II
321814.2257 1.8673 -2.9437 3 324.5461339 89503 303562037 552036 a-Alanine, conf. II
321851.1737 5.0649 -3.4944 3 438.9382345 89503 303574413 564412 a-Alanine, conf. II
321851.1737 5.0649 -3.4944 3 438.9382345 89503 303574414 564413 a-Alanine, conf. II
321862.3939 0.7911 -4.1968 3 187.0432249 89503 303412220 402119 a-Alanine, conf. II
321866.1262 0.7911 -4.1968 3 187.0431249 89503 303412219 402120 a-Alanine, conf. II
322042.8652 14.9530 -2.9079 3 369.7846405 89503 30367 463 66 462 a-Alanine, conf. II
322042.8652 14.9530 -4.0359 3 369.7846405 89503 30367 463 66 562 a-Alanine, conf. II
322042.8652 14.9530 -4.0359 3 369.7846405 89503 30367 563 66 462 a-Alanine, conf. II
322042.8652 14.9530 -2.9079 3 369.7846405 89503 30367 563 66 562 a-Alanine, conf. II
322064.4925 4.9810 -3.4531 3 432.7488345 89503 303574314 564313 a-Alanine, conf. II
322064.4925 4.9810 -3.4531 3 432.7488345 89503 303574315 564314 a-Alanine, conf. II
322149.8484 0.7641 -4.2586 3 192.2914255 89503 303422122 412021 a-Alanine, conf. II
322159.3693 3.0127 -4.2283 3 348.9959363 89503 303601446 591545 a-Alanine, conf. II
322159.3693 3.0127 -2.9499 3 348.9959363 89503 303601546 591545 a-Alanine, conf. II
322159.3694 3.0127 -2.9499 3 348.9959363 89503 303601446 591445 a-Alanine, conf. II
322159.3695 3.0127 -4.2283 3 348.9959363 89503 303601546 591445 a-Alanine, conf. II
322229.1961 1.9046 -2.9425 3 324.5190339 89503 303561937 551936 a-Alanine, conf. II
322252.9759 0.7727 -4.2583 3 192.2887255 89503 303422121 412022 a-Alanine, conf. II
322263.0068 4.2690 -3.0615 3 351.8644339 89503 303562928 552927 a-Alanine, conf. II
322263.1040 4.2692 -3.0615 3 351.8644339 89503 303562927 552926 a-Alanine, conf. II
322294.6641 4.9031 -3.4143 3 426.7109345 89503 303574215 564214 a-Alanine, conf. II
322294.6641 4.9031 -3.4143 3 426.7109345 89503 303574216 564215 a-Alanine, conf. II
322295.3860 1.7505 -4.0135 3 173.9387225 89503 303372710 362611 a-Alanine, conf. II
322295.3860 1.7505 -4.0135 3 173.9387225 89503 303372711 362610 a-Alanine, conf. II
322319.0019 4.4011 -2.9674 3 324.4197333 89503 303552432 542431 a-Alanine, conf. II
322362.0690 2.1292 -4.3738 3 332.1484345 89503 303571839 561938 a-Alanine, conf. II
322385.5164 2.1355 -2.9484 3 332.1484345 89503 303571939 561938 a-Alanine, conf. II
322414.2602 2.1420 -2.9483 3 332.1467345 89503 303571839 561838 a-Alanine, conf. II
322437.7076 2.1489 -4.3736 3 332.1467345 89503 303571939 561838 a-Alanine, conf. II
322506.4383 7.5899 -2.9252 3 366.8402393 89503 30365 758 64 757 a-Alanine, conf. II
322506.4383 7.5899 -4.0843 3 366.8402393 89503 30365 758 64 857 a-Alanine, conf. II
322506.4383 7.5899 -4.0843 3 366.8402393 89503 30365 858 64 757 a-Alanine, conf. II
322506.4383 7.5899 -2.9252 3 366.8402393 89503 30365 858 64 857 a-Alanine, conf. II
322543.5551 4.8315 -3.3777 3 420.8254345 89503 303574116 564115 a-Alanine, conf. II
322543.5551 4.8315 -3.3777 3 420.8254345 89503 303574117 564116 a-Alanine, conf. II
322611.7295 0.6723 -4.2878 3 129.7395213 89503 303351719 341520 a-Alanine, conf. II
322625.7588 2.0267 -4.4385 3 324.5190339 89503 303562037 551936 a-Alanine, conf. II
322645.5128 0.9366 -4.3432 3 198.0340261 89503 303432023 421924 a-Alanine, conf. II
322796.6856 3.1477 -3.9183 3 170.1041207 89503 3033431 3 3330 4 a-Alanine, conf. II
322796.6856 3.1477 -3.9183 3 170.1041207 89503 3033431 4 3330 3 a-Alanine, conf. II
322813.3252 4.7665 -3.3432 3 415.0930345 89503 303574017 564016 a-Alanine, conf. II
322813.3252 4.7665 -3.3432 3 415.0930345 89503 303574018 564017 a-Alanine, conf. II
322828.2591 32.9079 -2.8813 3 374.3795423 89503 30370 070 69 069 a-Alanine, conf. II
322828.2591 32.9079 -3.9771 3 374.3795423 89503 30370 070 69 169 a-Alanine, conf. II
322828.2591 32.9079 -3.9771 3 374.3795423 89503 30370 170 69 069 a-Alanine, conf. II
322828.2591 32.9079 -2.8813 3 374.3795423 89503 30370 170 69 169 a-Alanine, conf. II
322946.7975 4.1337 -2.9390 3 362.0169381 89503 303631053 621052 a-Alanine, conf. II
322946.7975 4.1337 -4.1384 3 362.0169381 89503 303631053 621152 a-Alanine, conf. II
322946.7975 4.1337 -4.1384 3 362.0169381 89503 303631153 621052 a-Alanine, conf. II
322946.7975 4.1337 -2.9390 3 362.0169381 89503 303631153 621152 a-Alanine, conf. II
322976.4889 0.2778 -4.5076 3 111.5054207 89503 303341024 33 825 a-Alanine, conf. II
323054.2650 0.2797 -4.5074 3 111.5055207 89503 303341124 33 925 a-Alanine, conf. II
323106.4897 4.7086 -3.3105 3 409.5149345 89503 303573918 563917 a-Alanine, conf. II
323106.4897 4.7086 -3.3105 3 409.5149345 89503 303573919 563918 a-Alanine, conf. II
323109.1159 3.5334 -4.5269 3 327.3282339 89503 303562036 552135 a-Alanine, conf. II
323185.6999 2.8052 -2.9408 3 319.1547333 89503 303552234 542233 a-Alanine, conf. II
323202.1799 4.3740 -3.0404 3 348.1051339 89503 303562829 552828 a-Alanine, conf. II
323203.1986 4.3761 -3.0404 3 348.1051339 89503 303562828 552827 a-Alanine, conf. II
323225.1848 2.4418 -4.3251 3 339.4374351 89503 303581741 571840 a-Alanine, conf. II
323226.2302 2.4423 -2.9512 3 339.4374351 89503 303581841 571840 a-Alanine, conf. II
323227.6646 2.4428 -2.9512 3 339.4373351 89503 303581741 571740 a-Alanine, conf. II
323228.7101 2.4432 -4.3251 3 339.4373351 89503 303581841 571740 a-Alanine, conf. II
323272.6111 1.7657 -4.8584 3 92.0292165 89503 3032721 6 2619 7 a-Alanine, conf. II
323272.6111 1.7657 -4.8584 3 92.0292165 89503 3032721 7 2619 8 a-Alanine, conf. II
323390.7586 18.9085 -2.9026 3 373.9149411 89503 30368 365 67 364 a-Alanine, conf. II
323390.7586 18.9085 -4.0216 3 373.9149411 89503 30368 365 67 464 a-Alanine, conf. II
323390.7586 18.9085 -4.0216 3 373.9149411 89503 30368 465 67 364 a-Alanine, conf. II
323390.7586 18.9085 -2.9026 3 373.9149411 89503 30368 465 67 464 a-Alanine, conf. II
323426.0017 4.6581 -3.2794 3 404.0922345 89503 303573819 563818 a-Alanine, conf. II
323426.0017 4.6581 -3.2794 3 404.0922345 89503 303573820 563819 a-Alanine, conf. II
323457.6695 3.2422 -2.9486 3 355.2604369 89503 303611348 601347 a-Alanine, conf. II
323457.6695 3.2422 -4.2025 3 355.2604369 89503 303611348 601447 a-Alanine, conf. II
323457.6695 3.2422 -4.2025 3 355.2604369 89503 303611448 601347 a-Alanine, conf. II
323457.6695 3.2422 -2.9486 3 355.2604369 89503 303611448 601447 a-Alanine, conf. II
323484.6482 3.8860 -2.9508 3 321.7056333 89503 303552333 542332 a-Alanine, conf. II
323498.3960 1.4682 -4.0430 3 177.3528231 89503 303382612 372513 a-Alanine, conf. II
323498.3960 1.4682 -4.0430 3 177.3528231 89503 303382613 372512 a-Alanine, conf. II
323594.0101 5.8190 -2.9639 3 324.4608333 89503 303552431 542430 a-Alanine, conf. II
323775.3577 4.6157 -3.2498 3 398.8263345 89503 303573720 563719 a-Alanine, conf. II
323775.3577 4.6157 -3.2498 3 398.8263345 89503 303573721 563720 a-Alanine, conf. II
323876.1652 9.8868 -2.9208 3 371.5962399 89503 30366 660 65 659 a-Alanine, conf. II
323876.1652 9.8868 -4.0685 3 371.5962399 89503 30366 660 65 759 a-Alanine, conf. II
323876.1652 9.8868 -4.0685 3 371.5962399 89503 30366 760 65 659 a-Alanine, conf. II
323876.1652 9.8868 -2.9208 3 371.5962399 89503 30366 760 65 759 a-Alanine, conf. II
324093.7199 2.7373 -3.9403 3 172.2797213 89503 3033530 5 3429 6 a-Alanine, conf. II
324093.7199 2.7373 -3.9403 3 172.2797213 89503 3033530 6 3429 5 a-Alanine, conf. II
324149.5714 0.3273 -4.6919 3 100.6930201 89503 30333 825 32 626 a-Alanine, conf. II
324150.9067 0.3273 -4.6919 3 100.6930201 89503 30333 925 32 726 a-Alanine, conf. II
324158.7406 4.5822 -3.2216 3 393.7188345 89503 303573621 563620 a-Alanine, conf. II
324158.7406 4.5822 -3.2216 3 393.7188345 89503 303573622 563621 a-Alanine, conf. II
324181.2327 0.5940 -4.2968 3 130.9661219 89503 303361423 351224 a-Alanine, conf. II
324276.8744 2.7500 -4.2863 3 346.4500357 89503 303591643 581742 a-Alanine, conf. II
324276.9111 2.7500 -2.9525 3 346.4500357 89503 303591743 581742 a-Alanine, conf. II
324276.9661 2.7500 -2.9525 3 346.4500357 89503 303591643 581642 a-Alanine, conf. II
324277.0028 2.7501 -4.2863 3 346.4500357 89503 303591743 581642 a-Alanine, conf. II
324317.1851 4.5294 -3.0198 3 344.5423339 89503 303562730 552729 a-Alanine, conf. II
324319.2143 5.0658 -2.9357 3 367.4081387 89503 30364 955 63 954 a-Alanine, conf. II
324319.2143 5.0658 -4.1199 3 367.4081387 89503 30364 955 631054 a-Alanine, conf. II
324319.2143 5.0658 -4.1199 3 367.4081387 89503 303641055 63 954 a-Alanine, conf. II
324319.2143 5.0658 -2.9357 3 367.4081387 89503 303641055 631054 a-Alanine, conf. II
324326.4816 4.5460 -3.0198 3 344.5425339 89503 303562729 552728 a-Alanine, conf. II
324384.2240 4.0915 -4.5553 3 242.9227291 89503 303482029 471928 a-Alanine, conf. II
324420.0768 0.8077 -4.3780 3 206.5273267 89503 303442025 431924 a-Alanine, conf. II
324485.2303 1.8797 -2.9268 3 316.3517333 89503 303552035 542034 a-Alanine, conf. II
324581.2114 4.5586 -3.1947 3 388.7715345 89503 303573522 563521 a-Alanine, conf. II
324581.2114 4.5586 -3.1947 3 388.7715345 89503 303573523 563522 a-Alanine, conf. II
324636.5856 1.2241 -4.0758 3 181.1443237 89503 303392514 382415 a-Alanine, conf. II
324636.5856 1.2241 -4.0758 3 181.1443237 89503 303392515 382414 a-Alanine, conf. II
324727.6340 23.5933 -2.8971 3 377.8525417 89503 30369 267 68 266 a-Alanine, conf. II
324727.6340 23.5933 -4.0077 3 377.8525417 89503 30369 267 68 366 a-Alanine, conf. II
324727.6340 23.5933 -4.0077 3 377.8525417 89503 30369 367 68 266 a-Alanine, conf. II
324727.6340 23.5933 -2.8971 3 377.8525417 89503 30369 367 68 366 a-Alanine, conf. II
324755.2667 0.8288 -4.4018 3 118.6521201 89503 303331815 321616 a-Alanine, conf. II
324789.4652 1.3884 -4.6732 3 99.8661177 89503 3032920 9 281810 a-Alanine, conf. II
324789.4705 1.3884 -4.6732 3 99.8661177 89503 303292010 281811 a-Alanine, conf. II
324790.3304 3.5065 -2.9468 3 361.3103375 89503 303621250 611249 a-Alanine, conf. II
324790.3304 3.5065 -4.1793 3 361.3103375 89503 303621250 611349 a-Alanine, conf. II
324790.3304 3.5065 -4.1793 3 361.3103375 89503 303621350 611249 a-Alanine, conf. II
324790.3304 3.5065 -2.9468 3 361.3103375 89503 303621350 611349 a-Alanine, conf. II
324877.9561 0.8252 -4.4015 3 118.6479201 89503 303331816 321617 a-Alanine, conf. II
325048.9785 4.5464 -3.1689 3 383.9866345 89503 303573423 563422 a-Alanine, conf. II
325048.9785 4.5464 -3.1689 3 383.9866345 89503 303573424 563423 a-Alanine, conf. II
325129.4977 2.2578 -4.0775 3 165.6223243 89503 303401624 391425 a-Alanine, conf. II
325238.9857 12.7745 -2.9163 3 376.1582405 89503 30367 562 66 561 a-Alanine, conf. II
325238.9857 12.7745 -4.0534 3 376.1582405 89503 30367 562 66 661 a-Alanine, conf. II
325238.9857 12.7745 -4.0534 3 376.1582405 89503 30367 662 66 561 a-Alanine, conf. II
325238.9857 12.7745 -2.9163 3 376.1582405 89503 30367 662 66 661 a-Alanine, conf. II
325282.5472 16.6737 -4.7554 3 354.6707351 89503 303582236 572335 a-Alanine, conf. II
325377.1847 2.3591 -3.9638 3 174.8080219 89503 3033629 7 3528 8 a-Alanine, conf. II
325377.1847 2.3591 -3.9638 3 174.8080219 89503 3033629 8 3528 7 a-Alanine, conf. II
325454.5916 3.0338 -4.2538 3 353.2126363 89503 303601545 591644 a-Alanine, conf. II
325454.5926 3.0338 -2.9528 3 353.2126363 89503 303601645 591644 a-Alanine, conf. II
325454.5943 3.0338 -2.9528 3 353.2126363 89503 303601545 591544 a-Alanine, conf. II
325454.5953 3.0338 -4.2538 3 353.2126363 89503 303601645 591544 a-Alanine, conf. II
325540.8351 1.0695 -4.5268 3 108.7169189 89503 303311912 301713 a-Alanine, conf. II
325542.1150 1.0695 -4.5268 3 108.7168189 89503 303311913 301714 a-Alanine, conf. II
325566.3927 1.9624 -2.9406 3 327.3282339 89503 303562136 552135 a-Alanine, conf. II
325569.7799 4.5474 -3.1442 3 379.3668345 89503 303573324 563323 a-Alanine, conf. II
325569.7799 4.5474 -3.1442 3 379.3668345 89503 303573325 563324 a-Alanine, conf. II
325659.6248 4.7374 -2.9997 3 341.1888339 89503 303562631 552630 a-Alanine, conf. II
325674.9533 1.0265 -4.1129 3 185.3258243 89503 303402417 392316 a-Alanine, conf. II
325674.9590 1.0265 -4.1129 3 185.3258243 89503 303402416 392317 a-Alanine, conf. II
325693.1253 6.4559 -2.9322 3 372.6011393 89503 30365 857 64 856 a-Alanine, conf. II
325693.1253 6.4559 -4.1026 3 372.6011393 89503 30365 857 64 956 a-Alanine, conf. II
325693.1253 6.4559 -4.1026 3 372.6011393 89503 30365 957 64 856 a-Alanine, conf. II
325693.1253 6.4559 -2.9322 3 372.6011393 89503 30365 957 64 956 a-Alanine, conf. II
325732.2382 4.8526 -2.9995 3 341.1907339 89503 303562630 552629 a-Alanine, conf. II
325746.2805 6.9757 -4.7673 3 543.6245351 89503 3035857 1 5757 0 a-Alanine, conf. II
325746.2805 6.9757 -4.7673 3 543.6245351 89503 3035857 2 5757 1 a-Alanine, conf. II
325798.0677 4.0020 -3.8789 3 172.8033201 89503 3033333 0 3232 1 a-Alanine, conf. II
325798.0677 4.0020 -3.8789 3 172.8033201 89503 3033333 1 3232 0 a-Alanine, conf. II
325842.0975 6.8267 -4.4529 3 535.5125351 89503 3035856 2 5756 1 a-Alanine, conf. II
325842.0975 6.8267 -4.4529 3 535.5125351 89503 3035856 3 5756 2 a-Alanine, conf. II
325943.7786 6.6826 -4.2637 3 527.5469351 89503 3035855 3 5755 2 a-Alanine, conf. II
325943.7786 6.6826 -4.2637 3 527.5469351 89503 3035855 4 5755 3 a-Alanine, conf. II
325970.5014 6.8092 -2.9145 3 309.0439327 89503 303542232 532231 a-Alanine, conf. II
326002.4589 2.0659 -4.4231 3 335.2806345 89503 303571938 562037 a-Alanine, conf. II
326051.7669 6.5434 -4.1261 3 519.7280351 89503 3035854 4 5754 3 a-Alanine, conf. II
326051.7669 6.5434 -4.1261 3 519.7280351 89503 3035854 5 5754 4 a-Alanine, conf. II
326052.5875 29.0756 -2.8914 3 381.5969423 89503 30370 169 69 168 a-Alanine, conf. II
326052.5875 29.0756 -3.9944 3 381.5969423 89503 30370 169 69 268 a-Alanine, conf. II
326052.5875 29.0756 -3.9944 3 381.5969423 89503 30370 269 69 168 a-Alanine, conf. II
326052.5875 29.0756 -2.8914 3 381.5969423 89503 30370 269 69 268 a-Alanine, conf. II
326144.0130 3.8999 -2.9446 3 367.1517381 89503 303631152 621151 a-Alanine, conf. II
326144.0130 3.8999 -4.1584 3 367.1517381 89503 303631152 621251 a-Alanine, conf. II
326144.0130 3.8999 -4.1584 3 367.1517381 89503 303631252 621151 a-Alanine, conf. II
326144.0130 3.8999 -2.9446 3 367.1517381 89503 303631252 621251 a-Alanine, conf. II
326153.4484 4.5643 -3.1205 3 374.9152345 89503 303573226 563225 a-Alanine, conf. II
326153.4485 4.5643 -3.1205 3 374.9152345 89503 303573225 563224 a-Alanine, conf. II
326166.5507 6.4091 -4.0168 3 512.0559351 89503 3035853 5 5753 4 a-Alanine, conf. II
326166.5507 6.4091 -4.0168 3 512.0559351 89503 3035853 6 5753 5 a-Alanine, conf. II
326191.5227 2.0765 -2.9464 3 335.2806345 89503 303572038 562037 a-Alanine, conf. II
326198.8483 2.1511 -4.9040 3 156.2434237 89503 303391524 381425 a-Alanine, conf. II
326288.6690 6.2798 -3.9256 3 504.5311351 89503 3035852 6 5752 5 a-Alanine, conf. II
326288.6690 6.2798 -3.9256 3 504.5311351 89503 3035852 7 5752 6 a-Alanine, conf. II
326399.0216 2.1037 -2.9458 3 335.2674345 89503 303571938 561937 a-Alanine, conf. II
326418.7189 6.1555 -3.8469 3 497.1537351 89503 3035851 7 5751 6 a-Alanine, conf. II
326418.7189 6.1555 -3.8469 3 497.1537351 89503 3035851 8 5751 7 a-Alanine, conf. II
326555.4984 0.8882 -4.1561 3 189.9146249 89503 303412319 402218 a-Alanine, conf. II
326555.7915 0.8882 -4.1561 3 189.9145249 89503 303412318 402219 a-Alanine, conf. II
326557.3636 6.0364 -3.7775 3 489.9241351 89503 3035850 8 5750 7 a-Alanine, conf. II
326557.3636 6.0364 -3.7775 3 489.9241351 89503 3035850 9 5750 8 a-Alanine, conf. II
326588.0855 2.1555 -4.4213 3 335.2674345 89503 303572038 561937 a-Alanine, conf. II
326593.1342 16.3045 -2.9115 3 380.5268411 89503 30368 464 67 463 a-Alanine, conf. II
326593.1342 16.3045 -4.0390 3 380.5268411 89503 30368 464 67 563 a-Alanine, conf. II
326593.1342 16.3045 -4.0390 3 380.5268411 89503 30368 564 67 463 a-Alanine, conf. II
326593.1342 16.3045 -2.9115 3 380.5268411 89503 30368 564 67 563 a-Alanine, conf. II
326639.2390 2.0131 -3.9892 3 177.6938225 89503 3033728 9 362710 a-Alanine, conf. II
326639.2390 2.0131 -3.9892 3 177.6938225 89503 303372810 3627 9 a-Alanine, conf. II
326705.3410 5.9226 -3.7152 3 482.8427351 89503 3035849 9 5749 8 a-Alanine, conf. II
326705.3410 5.9226 -3.7152 3 482.8427351 89503 303584910 5749 9 a-Alanine, conf. II
326710.3587 3.2868 -4.2258 3 359.7420369 89503 303611447 601546 a-Alanine, conf. II
326710.3588 3.2868 -2.9524 3 359.7420369 89503 303611447 601446 a-Alanine, conf. II
326710.3588 3.2868 -4.2258 3 359.7420369 89503 303611547 601446 a-Alanine, conf. II
326710.3588 3.2868 -2.9524 3 359.7420369 89503 303611547 601546 a-Alanine, conf. II
326776.0634 8.1949 -4.6183 3 340.8908345 89503 303572136 562235 a-Alanine, conf. II
326805.4794 2.3725 -4.3626 3 342.9020351 89503 303581840 571939 a-Alanine, conf. II
326812.7757 4.6008 -3.0976 3 370.6357345 89503 303573127 563126 a-Alanine, conf. II
326812.7776 4.6008 -3.0976 3 370.6357345 89503 303573126 563125 a-Alanine, conf. II
326815.8376 2.3759 -2.9510 3 342.9020351 89503 303581940 571939 a-Alanine, conf. II
326828.9268 2.3796 -2.9509 3 342.9013351 89503 303581840 571839 a-Alanine, conf. II
326839.2850 2.3832 -4.3625 3 342.9013351 89503 303581940 571839 a-Alanine, conf. II
326863.4759 5.8141 -3.6587 3 475.9099351 89503 303584810 5748 9 a-Alanine, conf. II
326863.4759 5.8141 -3.6587 3 475.9099351 89503 303584811 574810 a-Alanine, conf. II
326923.9501 1.1200 -4.4170 3 215.2265273 89503 303452026 441925 a-Alanine, conf. II
326926.7026 2.9530 -4.5133 3 233.4285285 89503 303472028 461927 a-Alanine, conf. II
327032.6924 5.7110 -3.6068 3 469.1261351 89503 303584711 574710 a-Alanine, conf. II
327032.6924 5.7110 -3.6068 3 469.1261351 89503 303584712 574711 a-Alanine, conf. II
327064.7949 8.3702 -2.9285 3 377.5979399 89503 30366 759 65 758 a-Alanine, conf. II
327064.7949 8.3702 -4.0864 3 377.5979399 89503 30366 759 65 858 a-Alanine, conf. II
327064.7949 8.3702 -4.0864 3 377.5979399 89503 30366 859 65 758 a-Alanine, conf. II
327064.7949 8.3702 -2.9285 3 377.5979399 89503 30366 859 65 858 a-Alanine, conf. II
327105.4944 3.5274 -3.8988 3 174.4787207 89503 3033432 2 3331 3 a-Alanine, conf. II
327105.4944 3.5274 -3.8988 3 174.4787207 89503 3033432 3 3331 2 a-Alanine, conf. II
327111.3363 0.6840 -4.2526 3 136.5747219 89503 303361720 351521 a-Alanine, conf. II
327169.2883 0.8230 -4.2082 3 194.9362255 89503 303422221 412120 a-Alanine, conf. II
327179.7488 0.8236 -4.2082 3 194.9360255 89503 303422220 412121 a-Alanine, conf. II
327184.3119 0.3207 -4.4304 3 120.0418213 89503 303351124 34 925 a-Alanine, conf. II
327187.1507 0.8177 -4.2755 3 200.4346261 89503 303432123 422022 a-Alanine, conf. II
327214.0298 5.6135 -3.5589 3 462.4918351 89503 303584612 574611 a-Alanine, conf. II
327214.0298 5.6135 -3.5589 3 462.4918351 89503 303584613 574612 a-Alanine, conf. II
327214.2423 3.4190 -4.6117 3 193.7726261 89503 303431825 421726 a-Alanine, conf. II
327236.7385 4.9176 -2.9799 3 338.0612339 89503 303562532 552531 a-Alanine, conf. II
327300.2197 0.7463 -4.2126 3 141.7796225 89503 303371622 361423 a-Alanine, conf. II
327364.9028 35.4290 -2.8856 3 385.1479429 89503 30371 071 70 070 a-Alanine, conf. II
327364.9028 35.4290 -3.9813 3 385.1479429 89503 30371 071 70 170 a-Alanine, conf. II
327364.9028 35.4290 -3.9813 3 385.1479429 89503 30371 171 70 070 a-Alanine, conf. II
327364.9028 35.4290 -2.8856 3 385.1479429 89503 30371 171 70 170 a-Alanine, conf. II
327408.6621 5.5218 -3.5143 3 456.0076351 89503 303584513 574512 a-Alanine, conf. II
327408.6621 5.5218 -3.5143 3 456.0076351 89503 303584514 574513 a-Alanine, conf. II
327418.3131 3.1880 -2.8991 3 307.3426327 89503 303542133 532132 a-Alanine, conf. II
327440.7169 0.8483 -4.2749 3 200.4280261 89503 303432122 422023 a-Alanine, conf. II
327492.6403 0.3249 -4.4298 3 120.0421213 89503 303351224 341025 a-Alanine, conf. II
327509.5842 4.5527 -2.9420 3 372.7892387 89503 303641054 631053 a-Alanine, conf. II
327509.5842 4.5527 -4.1391 3 372.7892387 89503 303641054 631153 a-Alanine, conf. II
327509.5842 4.5527 -4.1391 3 372.7892387 89503 303641154 631053 a-Alanine, conf. II
327509.5842 4.5527 -2.9420 3 372.7892387 89503 303641154 631153 a-Alanine, conf. II
327564.8937 4.6625 -3.0756 3 366.5332345 89503 303573028 563027 a-Alanine, conf. II
327564.9172 4.6625 -3.0756 3 366.5332345 89503 303573027 563026 a-Alanine, conf. II
327617.9205 5.4359 -3.4726 3 449.6740351 89503 303584414 574413 a-Alanine, conf. II
327617.9205 5.4359 -3.4726 3 449.6740351 89503 303584415 574414 a-Alanine, conf. II
327691.5720 2.0193 -2.9338 3 327.1754339 89503 303562036 552035 a-Alanine, conf. II
327707.3616 5.5638 -2.9786 3 338.0748339 89503 303562531 552530 a-Alanine, conf. II
327714.0918 2.7028 -4.3177 3 350.2190357 89503 303591742 581841 a-Alanine, conf. II
327714.5268 2.7030 -2.9537 3 350.2190357 89503 303591842 581841 a-Alanine, conf. II
327715.1372 2.7032 -2.9537 3 350.2190357 89503 303591742 581741 a-Alanine, conf. II
327715.5723 2.7034 -4.3177 3 350.2190357 89503 303591842 581741 a-Alanine, conf. II
327818.7199 1.6992 -4.0078 3 175.1473249 89503 303411724 401525 a-Alanine, conf. II
327842.7705 1.8652 -4.4638 3 224.1920279 89503 303462027 451926 a-Alanine, conf. II
327843.3219 5.3562 -3.4335 3 443.4917351 89503 303584315 574314 a-Alanine, conf. II
327843.3219 5.3562 -3.4335 3 443.4917351 89503 303584316 574315 a-Alanine, conf. II
327868.4559 1.7008 -4.0169 3 180.9433231 89503 303382711 372612 a-Alanine, conf. II
327868.4559 1.7008 -4.0169 3 180.9433231 89503 303382712 372611 a-Alanine, conf. II
327937.2291 20.5348 -2.9066 3 384.7021417 89503 30369 366 68 365 a-Alanine, conf. II
327937.2291 20.5348 -4.0251 3 384.7021417 89503 30369 366 68 465 a-Alanine, conf. II
327937.2291 20.5348 -4.0251 3 384.7021417 89503 30369 466 68 365 a-Alanine, conf. II
327937.2291 20.5348 -2.9066 3 384.7021417 89503 30369 466 68 465 a-Alanine, conf. II
327966.0858 2.0197 -4.1740 3 156.1845237 89503 303391524 381325 a-Alanine, conf. II
328015.2805 3.5300 -2.9513 3 366.0498375 89503 303621349 611348 a-Alanine, conf. II
328015.2805 3.5300 -4.2012 3 366.0498375 89503 303621349 611448 a-Alanine, conf. II
328015.2805 3.5300 -4.2012 3 366.0498375 89503 303621449 611348 a-Alanine, conf. II
328015.2805 3.5300 -2.9513 3 366.0498375 89503 303621449 611448 a-Alanine, conf. II
328086.6039 5.2828 -3.3966 3 437.4615351 89503 303584216 574215 a-Alanine, conf. II
328086.6039 5.2828 -3.3966 3 437.4615351 89503 303584217 574216 a-Alanine, conf. II
328334.5220 1.2453 -4.3710 3 206.4306267 89503 303442024 431925 a-Alanine, conf. II
328349.7682 5.2161 -3.3617 3 431.5843351 89503 303584117 574116 a-Alanine, conf. II
328349.7682 5.2161 -3.3617 3 431.5843351 89503 303584118 574117 a-Alanine, conf. II
328406.9345 3.0859 -3.9198 3 176.5012213 89503 3033531 4 3430 5 a-Alanine, conf. II
328406.9345 3.0859 -3.9198 3 176.5012213 89503 3033531 5 3430 4 a-Alanine, conf. II
328431.4043 10.8580 -2.9245 3 382.3996405 89503 30367 661 66 660 a-Alanine, conf. II
328431.4043 10.8580 -4.0711 3 382.3996405 89503 30367 661 66 760 a-Alanine, conf. II
328431.4043 10.8580 -4.0711 3 382.3996405 89503 30367 761 66 660 a-Alanine, conf. II
328431.4043 10.8580 -2.9245 3 382.3996405 89503 30367 761 66 760 a-Alanine, conf. II
328433.5600 4.7579 -3.0544 3 362.6139345 89503 303572929 562928 a-Alanine, conf. II
328433.8230 4.7585 -3.0544 3 362.6139345 89503 303572928 562927 a-Alanine, conf. II
328446.1525 2.6519 -2.9402 3 329.9350339 89503 303562235 552234 a-Alanine, conf. II
328474.2540 7.7868 -2.9354 3 321.9212333 89503 303552332 542331 a-Alanine, conf. II
328603.5437 1.7222 -4.7851 3 97.1442171 89503 3032821 7 2719 8 a-Alanine, conf. II
328603.5438 1.7222 -4.7851 3 97.1442171 89503 3032821 8 2719 9 a-Alanine, conf. II
328635.1355 5.1565 -3.3286 3 425.8609351 89503 303584018 574017 a-Alanine, conf. II
328635.1355 5.1565 -3.3286 3 425.8609351 89503 303584019 574018 a-Alanine, conf. II
328708.9798 2.5878 -4.4919 3 204.2620267 89503 303441925 431826 a-Alanine, conf. II
328786.9196 2.7000 -4.4924 3 338.1879345 89503 303572037 562136 a-Alanine, conf. II
328793.7128 4.7609 -2.9613 3 335.1712339 89503 303562433 552432 a-Alanine, conf. II
328798.7777 3.0242 -4.2814 3 357.2668363 89503 303601644 591743 a-Alanine, conf. II
328798.7922 3.0242 -2.9552 3 357.2668363 89503 303601744 591743 a-Alanine, conf. II
328798.8144 3.0242 -2.9552 3 357.2668363 89503 303601644 591643 a-Alanine, conf. II
328798.8289 3.0242 -4.2814 3 357.2668363 89503 303601744 591643 a-Alanine, conf. II
328880.5728 5.5959 -2.9391 3 378.2262393 89503 30365 956 64 955 a-Alanine, conf. II
328880.5728 5.5959 -4.1214 3 378.2262393 89503 30365 956 641055 a-Alanine, conf. II
328880.5728 5.5959 -4.1214 3 378.2262393 89503 303651056 64 955 a-Alanine, conf. II
328880.5728 5.5959 -2.9391 3 378.2262393 89503 303651056 641055 a-Alanine, conf. II
328915.0092 0.8209 -4.3616 3 125.0467207 89503 303341816 331617 a-Alanine, conf. II
328945.4162 5.1044 -3.2971 3 420.2926351 89503 303583919 573918 a-Alanine, conf. II
328945.4162 5.1044 -3.2971 3 420.2926351 89503 303583920 573919 a-Alanine, conf. II
329047.9026 1.4252 -4.0473 3 184.5643237 89503 303392613 382514 a-Alanine, conf. II
329047.9026 1.4252 -4.0473 3 184.5643237 89503 303392614 382513 a-Alanine, conf. II
329067.6864 4.9541 -4.5300 3 316.3517333 89503 303552135 542034 a-Alanine, conf. II
329083.4140 0.7765 -4.2424 3 139.8495225 89503 303371523 361324 a-Alanine, conf. II
329220.8228 0.8120 -4.3609 3 125.0362207 89503 303341817 331618 a-Alanine, conf. II
329270.1807 25.5299 -2.9014 3 388.6842423 89503 30370 268 69 267 a-Alanine, conf. II
329270.1807 25.5299 -4.0117 3 388.6842423 89503 30370 268 69 367 a-Alanine, conf. II
329270.1807 25.5299 -4.0117 3 388.6842423 89503 30370 368 69 267 a-Alanine, conf. II
329270.1807 25.5299 -2.9014 3 388.6842423 89503 30370 368 69 367 a-Alanine, conf. II
329283.8011 5.0604 -3.2672 3 414.8806351 89503 303583820 573819 a-Alanine, conf. II
329283.8011 5.0604 -3.2672 3 414.8806351 89503 303583821 573820 a-Alanine, conf. II
329351.1153 3.8229 -2.9498 3 372.1441381 89503 303631251 621250 a-Alanine, conf. II
329351.1153 3.8229 -4.1791 3 372.1441381 89503 303631251 621350 a-Alanine, conf. II
329351.1153 3.8229 -4.1791 3 372.1441381 89503 303631351 621250 a-Alanine, conf. II
329351.1153 3.8229 -2.9498 3 372.1441381 89503 303631351 621350 a-Alanine, conf. II
329424.1309 0.3077 -4.5928 3 109.0534207 89503 30334 925 33 726 a-Alanine, conf. II
329431.1858 0.3079 -4.5928 3 109.0534207 89503 303341025 33 826 a-Alanine, conf. II
329452.7785 4.8998 -3.0337 3 358.8860345 89503 303572830 562829 a-Alanine, conf. II
329455.3637 4.9052 -3.0337 3 358.8860345 89503 303572829 562828 a-Alanine, conf. II
329518.5340 3.8929 -2.9469 3 332.4958339 89503 303562334 552333 a-Alanine, conf. II
329614.1522 0.3873 -4.8039 3 98.0587201 89503 30333 726 32 527 a-Alanine, conf. II
329614.2335 0.3872 -4.8039 3 98.0587201 89503 30333 826 32 627 a-Alanine, conf. II
329643.0207 6.3377 -4.5563 3 305.6272327 89503 303542134 532033 a-Alanine, conf. II
329654.0819 5.0253 -3.2386 3 409.6263351 89503 303583721 573720 a-Alanine, conf. II
329654.0819 5.0253 -3.2386 3 409.6263351 89503 303583722 573721 a-Alanine, conf. II
329698.0464 2.6772 -3.9423 3 178.8742219 89503 3033630 6 3529 7 a-Alanine, conf. II
329698.0464 2.6772 -3.9423 3 178.8742219 89503 3033630 7 3529 6 a-Alanine, conf. II
329790.7916 13.9673 -2.9203 3 387.0070411 89503 30368 563 67 562 a-Alanine, conf. II
329790.7916 13.9673 -4.0566 3 387.0070411 89503 30368 563 67 662 a-Alanine, conf. II
329790.7916 13.9673 -4.0566 3 387.0070411 89503 30368 663 67 562 a-Alanine, conf. II
329790.7916 13.9673 -2.9203 3 387.0070411 89503 30368 663 67 662 a-Alanine, conf. II
329945.4718 1.3492 -4.6169 3 105.3880183 89503 303302010 291811 a-Alanine, conf. II
329945.4931 1.3492 -4.6169 3 105.3880183 89503 303302011 291812 a-Alanine, conf. II
329995.3499 3.3167 -4.2507 3 364.0686369 89503 303611546 601645 a-Alanine, conf. II
329995.3503 3.3167 -2.9557 3 364.0686369 89503 303611646 601645 a-Alanine, conf. II
329995.3509 3.3167 -2.9557 3 364.0686369 89503 303611546 601545 a-Alanine, conf. II
329995.3513 3.3167 -4.2507 3 364.0686369 89503 303611646 601545 a-Alanine, conf. II
330054.0930 2.0873 -2.9434 3 338.1879345 89503 303572137 562136 a-Alanine, conf. II
330060.8122 5.0000 -3.2114 3 404.5316351 89503 303583622 573621 a-Alanine, conf. II
330060.8122 5.0000 -3.2114 3 404.5316351 89503 303583623 573622 a-Alanine, conf. II
330148.8487 3.6797 -4.5040 3 327.1754339 89503 303562136 552035 a-Alanine, conf. II
330151.8143 1.1925 -4.0814 3 188.5671243 89503 303402516 392415 a-Alanine, conf. II
330151.8146 1.1925 -4.0814 3 188.5671243 89503 303402515 392416 a-Alanine, conf. II
330252.2662 7.1281 -2.9359 3 383.4651399 89503 30366 858 65 857 a-Alanine, conf. II
330252.2662 7.1281 -4.1048 3 383.4651399 89503 30366 858 65 957 a-Alanine, conf. II
330252.2662 7.1281 -4.1048 3 383.4651399 89503 30366 958 65 857 a-Alanine, conf. II
330252.2662 7.1281 -2.9359 3 383.4651399 89503 30366 958 65 957 a-Alanine, conf. II
330393.6629 1.0392 -4.4801 3 114.6604195 89503 303321913 311714 a-Alanine, conf. II
330397.6777 1.0390 -4.4801 3 114.6603195 89503 303321914 311715 a-Alanine, conf. II
330481.7682 2.2943 -4.4076 3 346.1612351 89503 303581939 572038 a-Alanine, conf. II
330485.7680 0.4748 -4.3623 3 128.7886219 89503 303361224 351025 a-Alanine, conf. II
330509.5291 4.9860 -3.1852 3 399.5984351 89503 303583523 573522 a-Alanine, conf. II
330509.5291 4.9860 -3.1852 3 399.5984351 89503 303583524 573523 a-Alanine, conf. II
330569.9782 2.3091 -2.9496 3 346.1612351 89503 303582039 572038 a-Alanine, conf. II
330591.1259 31.3602 -2.8960 3 392.4728429 89503 30371 170 70 169 a-Alanine, conf. II
330591.1259 31.3602 -3.9988 3 392.4728429 89503 30371 170 70 269 a-Alanine, conf. II
330591.1259 31.3602 -3.9988 3 392.4728429 89503 30371 270 70 169 a-Alanine, conf. II
330591.1259 31.3602 -2.8960 3 392.4728429 89503 30371 270 70 269 a-Alanine, conf. II
330670.0407 5.1018 -3.0134 3 355.3603345 89503 303572731 562730 a-Alanine, conf. II
330670.8320 2.3273 -2.9493 3 346.1549351 89503 303581939 571938 a-Alanine, conf. II
330692.0729 5.1431 -3.0134 3 355.3608345 89503 303572730 562729 a-Alanine, conf. II
330705.7333 4.2703 -2.9479 3 378.0306387 89503 303641153 631152 a-Alanine, conf. II
330705.7333 4.2703 -4.1590 3 378.0306387 89503 303641153 631252 a-Alanine, conf. II
330705.7333 4.2703 -4.1590 3 378.0306387 89503 303641253 631152 a-Alanine, conf. II
330705.7333 4.2703 -2.9479 3 378.0306387 89503 303641253 631252 a-Alanine, conf. II
330712.6295 3.7256 -4.7473 3 183.5358255 89503 303421725 411626 a-Alanine, conf. II
330759.0421 2.3522 -4.4068 3 346.1549351 89503 303582039 571938 a-Alanine, conf. II
330972.6084 2.3011 -3.9664 3 181.6018225 89503 3033729 8 3628 9 a-Alanine, conf. II
330972.6084 2.3011 -3.9664 3 181.6018225 89503 3033729 9 3628 8 a-Alanine, conf. II
331007.0630 4.9849 -3.1602 3 394.8291351 89503 303583424 573423 a-Alanine, conf. II
331007.0630 4.9849 -3.1602 3 394.8291351 89503 303583425 573424 a-Alanine, conf. II
331139.3775 1.0137 -4.1202 3 192.9656249 89503 303412418 402317 a-Alanine, conf. II
331139.3972 1.0137 -4.1202 3 192.9656249 89503 303412417 402318 a-Alanine, conf. II
331141.2776 17.7515 -2.9158 3 391.4207417 89503 30369 465 68 464 a-Alanine, conf. II
331141.2776 17.7515 -4.0426 3 391.4207417 89503 30369 465 68 564 a-Alanine, conf. II
331141.2776 17.7515 -4.0426 3 391.4207417 89503 30369 565 68 464 a-Alanine, conf. II
331141.2776 17.7515 -2.9158 3 391.4207417 89503 30369 565 68 564 a-Alanine, conf. II
331142.4096 7.3518 -2.9547 3 335.2547339 89503 303562432 552431 a-Alanine, conf. II
331244.1963 2.1499 -2.9398 3 338.1060345 89503 303572037 562036 a-Alanine, conf. II
331256.7798 2.6341 -4.3532 3 353.8034357 89503 303591841 581940 a-Alanine, conf. II
331261.2856 2.6359 -2.9540 3 353.8034357 89503 303591941 581940 a-Alanine, conf. II
331261.7406 3.5786 -4.2242 3 370.6399375 89503 303621448 611547 a-Alanine, conf. II
331261.7407 3.5786 -2.9555 3 370.6399375 89503 303621448 611447 a-Alanine, conf. II
331261.7407 3.5786 -4.2242 3 370.6399375 89503 303621548 611447 a-Alanine, conf. II
331261.7407 3.5786 -2.9555 3 370.6399375 89503 303621548 611547 a-Alanine, conf. II
331267.1380 2.6378 -2.9540 3 353.8031357 89503 303591841 581840 a-Alanine, conf. II
331271.6439 2.6396 -4.3532 3 353.8031357 89503 303591941 581840 a-Alanine, conf. II
331310.6660 1.3755 -4.2457 3 146.8770231 89503 303381424 371225 a-Alanine, conf. II
331321.0217 7.4954 -4.7925 3 562.7454357 89503 3035958 1 5858 0 a-Alanine, conf. II
331321.0217 7.4954 -4.7925 3 562.7454357 89503 3035958 2 5858 1 a-Alanine, conf. II
331412.7350 3.9357 -3.8802 3 179.0011207 89503 3033433 1 3332 2 a-Alanine, conf. II
331412.7350 3.9357 -3.8802 3 179.0011207 89503 3033433 2 3332 1 a-Alanine, conf. II
331416.3687 7.3433 -4.4777 3 554.4903357 89503 3035957 2 5857 1 a-Alanine, conf. II
331416.3687 7.3433 -4.4777 3 554.4903357 89503 3035957 3 5857 2 a-Alanine, conf. II
331517.4659 7.1960 -4.2882 3 546.3815357 89503 3035956 3 5856 2 a-Alanine, conf. II
331517.4659 7.1960 -4.2882 3 546.3815357 89503 3035956 4 5856 3 a-Alanine, conf. II
331561.9870 4.9990 -3.1362 3 390.2266351 89503 303583325 573324 a-Alanine, conf. II
331561.9870 4.9990 -3.1362 3 390.2266351 89503 303583326 573325 a-Alanine, conf. II
331565.5281 0.4589 -4.3602 3 128.7897219 89503 303361324 351125 a-Alanine, conf. II
331621.1545 9.2143 -2.9324 3 388.5076405 89503 30367 760 66 759 a-Alanine, conf. II
331621.1545 9.2143 -4.0892 3 388.5076405 89503 30367 760 66 859 a-Alanine, conf. II
331621.1545 9.2143 -4.0892 3 388.5076405 89503 30367 860 66 759 a-Alanine, conf. II
331621.1545 9.2143 -2.9324 3 388.5076405 89503 30367 860 66 859 a-Alanine, conf. II
331624.7392 7.0538 -4.1502 3 538.4192357 89503 3035955 4 5855 3 a-Alanine, conf. II
331624.7392 7.0538 -4.1502 3 538.4192357 89503 3035955 5 5855 4 a-Alanine, conf. II
331738.6570 6.9166 -4.0406 3 530.6039357 89503 3035954 5 5854 4 a-Alanine, conf. II
331738.6570 6.9166 -4.0406 3 530.6039357 89503 3035954 6 5854 5 a-Alanine, conf. II
331803.4660 2.0378 -2.9047 3 318.2641333 89503 303552134 542133 a-Alanine, conf. II
331859.7359 6.7846 -3.9490 3 522.9357357 89503 3035953 6 5853 5 a-Alanine, conf. II
331859.7359 6.7846 -3.9490 3 522.9357357 89503 3035953 7 5853 6 a-Alanine, conf. II
331899.3811 38.1011 -2.8904 3 396.0676435 89503 30372 072 71 071 a-Alanine, conf. II
331899.3811 38.1011 -3.9861 3 396.0676435 89503 30372 072 71 171 a-Alanine, conf. II
331899.3811 38.1011 -3.9861 3 396.0676435 89503 30372 172 71 071 a-Alanine, conf. II
331899.3811 38.1011 -2.8904 3 396.0676435 89503 30372 172 71 171 a-Alanine, conf. II
331929.7407 7.2527 -4.5766 3 295.0068321 89503 303532133 522032 a-Alanine, conf. II
331941.4794 0.9038 -4.1657 3 197.7794255 89503 303422320 412219 a-Alanine, conf. II
331942.3722 0.9038 -4.1657 3 197.7794255 89503 303422319 412220 a-Alanine, conf. II
331988.5466 6.6577 -3.8699 3 515.4149357 89503 3035952 7 5852 6 a-Alanine, conf. II
331988.5466 6.6577 -3.8699 3 515.4149357 89503 3035952 8 5852 7 a-Alanine, conf. II
332026.2996 0.8699 -4.2956 3 208.7963267 89503 303442124 432023 a-Alanine, conf. II
332070.7343 5.0097 -2.9456 3 383.7137393 89503 303651055 641054 a-Alanine, conf. II
332070.7343 5.0097 -4.1406 3 383.7137393 89503 303651055 641154 a-Alanine, conf. II
332070.7343 5.0097 -4.1406 3 383.7137393 89503 303651155 641054 a-Alanine, conf. II
332070.7343 5.0097 -2.9456 3 383.7137393 89503 303651155 641154 a-Alanine, conf. II
332086.2783 0.7194 -4.2211 3 143.6067225 89503 303371721 361522 a-Alanine, conf. II
332125.7217 6.5361 -3.8002 3 508.0418357 89503 3035951 8 5851 7 a-Alanine, conf. II
332125.7217 6.5361 -3.8002 3 508.0418357 89503 3035951 9 5851 8 a-Alanine, conf. II
332132.0174 5.3456 -2.9935 3 352.0517345 89503 303572632 562631 a-Alanine, conf. II
332181.1278 0.8075 -4.3023 3 137.7377225 89503 303371324 361125 a-Alanine, conf. II
332185.2878 5.0319 -3.1131 3 385.7945351 89503 303583227 573226 a-Alanine, conf. II
332185.2882 5.0319 -3.1131 3 385.7945351 89503 303583226 573225 a-Alanine, conf. II
332211.0310 2.9823 -4.3116 3 361.1504363 89503 303601743 591842 a-Alanine, conf. II
332211.2099 2.9824 -2.9568 3 361.1504363 89503 303601843 591842 a-Alanine, conf. II
332211.4661 2.9826 -2.9568 3 361.1504363 89503 303601743 591742 a-Alanine, conf. II
332211.6450 2.9826 -4.3116 3 361.1504363 89503 303601843 591742 a-Alanine, conf. II
332221.6596 1.9585 -3.9925 3 184.6893231 89503 303382810 372711 a-Alanine, conf. II
332221.6596 1.9585 -3.9925 3 184.6893231 89503 303382811 372710 a-Alanine, conf. II
332271.9639 6.4198 -3.7375 3 500.8169357 89503 3035950 9 5850 8 a-Alanine, conf. II
332271.9639 6.4198 -3.7375 3 500.8169357 89503 303595010 5850 9 a-Alanine, conf. II
332291.3869 5.6083 -2.9931 3 352.0559345 89503 303572631 562630 a-Alanine, conf. II
332417.7458 0.8723 -4.2214 3 203.0379261 89503 303432222 422121 a-Alanine, conf. II
332428.0563 6.3089 -3.6807 3 493.7404357 89503 303594910 5849 9 a-Alanine, conf. II
332428.0563 6.3089 -3.6807 3 493.7404357 89503 303594911 584910 a-Alanine, conf. II
332431.5148 24.0997 -4.8241 3 380.2864363 89503 303602337 592436 a-Alanine, conf. II
332445.8354 0.8752 -4.2213 3 203.0371261 89503 303432221 422122 a-Alanine, conf. II
332481.5447 22.2705 -2.9111 3 395.6409423 89503 30370 367 69 366 a-Alanine, conf. II
332481.5447 22.2705 -4.0292 3 395.6409423 89503 30370 367 69 466 a-Alanine, conf. II
332481.5447 22.2705 -4.0292 3 395.6409423 89503 30370 467 69 366 a-Alanine, conf. II
332481.5447 22.2705 -2.9111 3 395.6409423 89503 30370 467 69 466 a-Alanine, conf. II
332511.3697 2.8915 -4.4809 3 338.1060345 89503 303572137 562036 a-Alanine, conf. II
332572.3677 3.8381 -2.9547 3 376.9912381 89503 303631350 621349 a-Alanine, conf. II
332572.3677 3.8381 -4.2007 3 376.9912381 89503 303631350 621449 a-Alanine, conf. II
332572.3677 3.8381 -4.2007 3 376.9912381 89503 303631450 621349 a-Alanine, conf. II
332572.3677 3.8381 -2.9547 3 376.9912381 89503 303631450 621449 a-Alanine, conf. II
332594.8744 6.2037 -3.6284 3 486.8129357 89503 303594811 584810 a-Alanine, conf. II
332594.8744 6.2037 -3.6284 3 486.8129357 89503 303594812 584811 a-Alanine, conf. II
332622.8282 0.9619 -4.2943 3 208.7810267 89503 303442123 432024 a-Alanine, conf. II
332706.3464 0.8246 -4.3239 3 131.6605213 89503 303351817 341618 a-Alanine, conf. II
332717.3173 3.4622 -3.9004 3 180.8714213 89503 3033532 3 3431 4 a-Alanine, conf. II
332717.3173 3.4622 -3.9004 3 180.8714213 89503 3033532 4 3431 3 a-Alanine, conf. II
332773.4004 6.1041 -3.5801 3 480.0347357 89503 303594712 584711 a-Alanine, conf. II
332773.4004 6.1041 -3.5801 3 480.0347357 89503 303594713 584712 a-Alanine, conf. II
332891.4106 5.0883 -3.0908 3 381.5370351 89503 303583128 573127 a-Alanine, conf. II
332891.4161 5.0883 -3.0908 3 381.5370351 89503 303583127 573126 a-Alanine, conf. II
332964.7401 6.0103 -3.5352 3 473.4065357 89503 303594613 584612 a-Alanine, conf. II
332964.7401 6.0103 -3.5352 3 473.4065357 89503 303594614 584613 a-Alanine, conf. II
332984.5748 11.9041 -2.9287 3 393.3548411 89503 30368 662 67 661 a-Alanine, conf. II
332984.5748 11.9041 -4.0744 3 393.3548411 89503 30368 662 67 761 a-Alanine, conf. II
332984.5748 11.9041 -4.0744 3 393.3548411 89503 30368 762 67 661 a-Alanine, conf. II
332984.5748 11.9041 -2.9287 3 393.3548411 89503 30368 762 67 761 a-Alanine, conf. II
333170.1441 5.9225 -3.4932 3 466.9288357 89503 303594514 584513 a-Alanine, conf. II
333170.1441 5.9225 -3.4932 3 466.9288357 89503 303594515 584514 a-Alanine, conf. II
333324.5587 3.3162 -4.2775 3 368.2343369 89503 303611645 601744 a-Alanine, conf. II
333324.5644 3.3162 -2.9584 3 368.2343369 89503 303611745 601744 a-Alanine, conf. II
333324.5733 3.3162 -2.9584 3 368.2343369 89503 303611645 601644 a-Alanine, conf. II
333324.5790 3.3162 -4.2775 3 368.2343369 89503 303611745 601644 a-Alanine, conf. II
333391.0324 5.8409 -3.4536 3 460.6021357 89503 303594415 584414 a-Alanine, conf. II
333391.0324 5.8409 -3.4536 3 460.6021357 89503 303594416 584415 a-Alanine, conf. II
333412.3076 2.5322 -2.9415 3 340.8908345 89503 303572236 562235 a-Alanine, conf. II
333425.0598 0.8041 -4.3225 3 131.6357213 89503 303351818 341619 a-Alanine, conf. II
333432.1395 1.6516 -4.0210 3 188.1436237 89503 303392712 382613 a-Alanine, conf. II
333432.1395 1.6516 -4.0210 3 188.1436237 89503 303392713 382612 a-Alanine, conf. II
333440.1119 6.1733 -2.9430 3 389.1965399 89503 30366 957 65 956 a-Alanine, conf. II
333440.1119 6.1733 -4.1235 3 389.1965399 89503 30366 957 651056 a-Alanine, conf. II
333440.1119 6.1733 -4.1235 3 389.1965399 89503 303661057 65 956 a-Alanine, conf. II
333440.1119 6.1733 -2.9430 3 389.1965399 89503 303661057 651056 a-Alanine, conf. II
333513.2433 6.3469 -2.9042 3 319.9171333 89503 303552233 542232 a-Alanine, conf. II
333629.0260 5.7658 -3.4164 3 454.4274357 89503 303594316 584315 a-Alanine, conf. II
333629.0260 5.7658 -3.4164 3 454.4274357 89503 303594317 584316 a-Alanine, conf. II
333699.9546 5.1755 -3.0692 3 377.4596351 89503 303583029 573028 a-Alanine, conf. II
333700.0201 5.1757 -3.0692 3 377.4596351 89503 303583028 573027 a-Alanine, conf. II
333779.7720 5.4588 -2.9741 3 348.9766345 89503 303572533 562532 a-Alanine, conf. II
333810.5529 27.5910 -2.9062 3 399.6675429 89503 30371 269 70 268 a-Alanine, conf. II
333810.5529 27.5910 -4.0163 3 399.6675429 89503 30371 269 70 368 a-Alanine, conf. II
333810.5529 27.5910 -4.0163 3 399.6675429 89503 30371 369 70 268 a-Alanine, conf. II
333810.5529 27.5910 -2.9062 3 399.6675429 89503 30371 369 70 368 a-Alanine, conf. II
333826.5824 2.4416 -4.4668 3 349.1974351 89503 303582038 572137 a-Alanine, conf. II
333885.9846 5.6974 -3.3811 3 448.4053357 89503 303594217 584216 a-Alanine, conf. II
333885.9846 5.6974 -3.3811 3 448.4053357 89503 303594218 584217 a-Alanine, conf. II
333891.9296 1.6781 -4.7193 3 102.4554177 89503 3032921 8 2819 9 a-Alanine, conf. II
333891.9299 1.6781 -4.7193 3 102.4554177 89503 3032921 9 281910 a-Alanine, conf. II
333910.8082 4.1643 -2.9534 3 383.1301387 89503 303641252 631251 a-Alanine, conf. II
333910.8082 4.1643 -4.1796 3 383.1301387 89503 303641252 631351 a-Alanine, conf. II
333910.8082 4.1643 -4.1796 3 383.1301387 89503 303641352 631251 a-Alanine, conf. II
333910.8082 4.1643 -2.9534 3 383.1301387 89503 303641352 631351 a-Alanine, conf. II
334014.1023 3.0222 -3.9219 3 183.0903219 89503 3033631 5 3530 6 a-Alanine, conf. II
334014.1023 3.0222 -3.9219 3 183.0903219 89503 3033631 6 3530 5 a-Alanine, conf. II
334164.0552 5.6362 -3.3477 3 442.5368357 89503 303594118 584117 a-Alanine, conf. II
334164.0552 5.6362 -3.3477 3 442.5368357 89503 303594119 584118 a-Alanine, conf. II
334340.4766 15.2473 -2.9248 3 398.0077417 89503 30369 564 68 563 a-Alanine, conf. II
334340.4766 15.2473 -4.0604 3 398.0077417 89503 30369 564 68 663 a-Alanine, conf. II
334340.4766 15.2473 -4.0604 3 398.0077417 89503 30369 664 68 563 a-Alanine, conf. II
334340.4766 15.2473 -2.9248 3 398.0077417 89503 30369 664 68 663 a-Alanine, conf. II
334350.1089 0.2947 -4.5062 3 117.6358213 89503 303351025 34 826 a-Alanine, conf. II
334383.2295 0.2957 -4.5062 3 117.6359213 89503 303351125 34 926 a-Alanine, conf. II
334459.7689 2.2752 -2.9470 3 349.1974351 89503 303582138 572137 a-Alanine, conf. II
334462.8702 5.7435 -4.5633 3 352.0123351 89503 303582137 572236 a-Alanine, conf. II
334465.7329 5.5825 -3.3159 3 436.8230357 89503 303594019 584018 a-Alanine, conf. II
334465.7329 5.5825 -3.3159 3 436.8230357 89503 303594020 584019 a-Alanine, conf. II
334537.5884 3.6174 -4.2486 3 375.0760375 89503 303621547 611646 a-Alanine, conf. II
334537.5886 3.6174 -2.9591 3 375.0760375 89503 303621647 611646 a-Alanine, conf. II
334537.5888 3.6174 -2.9591 3 375.0760375 89503 303621547 611546 a-Alanine, conf. II
334537.5890 3.6174 -4.2486 3 375.0760375 89503 303621647 611546 a-Alanine, conf. II
334584.6314 1.3851 -4.0525 3 191.9730243 89503 303402615 392514 a-Alanine, conf. II
334584.6315 1.3851 -4.0525 3 191.9730243 89503 303402614 392515 a-Alanine, conf. II
334638.4777 5.3048 -3.0484 3 373.5693351 89503 303582930 572929 a-Alanine, conf. II
334639.1673 5.3065 -3.0484 3 373.5693351 89503 303582929 572928 a-Alanine, conf. II
334703.9107 1.8438 -4.4057 3 215.0384273 89503 303452025 441926 a-Alanine, conf. II
334718.0485 6.7758 -2.9716 3 349.0059345 89503 303572532 562531 a-Alanine, conf. II
334793.9397 5.5369 -3.2856 3 431.2650357 89503 303593920 583919 a-Alanine, conf. II
334793.9397 5.5369 -3.2856 3 431.2650357 89503 303593921 583920 a-Alanine, conf. II
334809.4592 7.8574 -2.9401 3 394.4811405 89503 30367 859 66 858 a-Alanine, conf. II
334809.4592 7.8574 -4.1076 3 394.4811405 89503 30367 859 66 958 a-Alanine, conf. II
334809.4592 7.8574 -4.1076 3 394.4811405 89503 30367 959 66 858 a-Alanine, conf. II
334809.4592 7.8574 -2.9401 3 394.4811405 89503 30367 959 66 958 a-Alanine, conf. II
334919.8534 2.5527 -4.3949 3 357.1878357 89503 303591940 582039 a-Alanine, conf. II
334960.2221 2.5632 -2.9533 3 357.1878357 89503 303592040 582039 a-Alanine, conf. II
335008.0634 2.5746 -2.9532 3 357.1849357 89503 303591940 581939 a-Alanine, conf. II
335034.3742 1.3103 -4.5649 3 111.1095189 89503 303312011 301812 a-Alanine, conf. II
335034.4542 1.3103 -4.5649 3 111.1095189 89503 303312012 301813 a-Alanine, conf. II
335048.4321 2.5875 -4.3946 3 357.1849357 89503 303592040 581939 a-Alanine, conf. II
335093.7558 2.3272 -2.9452 3 349.1551351 89503 303582038 572037 a-Alanine, conf. II
335127.4784 33.7852 -2.9011 3 403.5002435 89503 30372 171 71 170 a-Alanine, conf. II
335127.4784 33.7852 -4.0037 3 403.5002435 89503 30372 171 71 270 a-Alanine, conf. II
335127.4784 33.7852 -4.0037 3 403.5002435 89503 30372 271 71 170 a-Alanine, conf. II
335127.4784 33.7852 -2.9011 3 403.5002435 89503 30372 271 71 270 a-Alanine, conf. II
335128.2960 1.0118 -4.4364 3 120.8090201 89503 303331914 321715 a-Alanine, conf. II
335140.1665 1.0113 -4.4364 3 120.8086201 89503 303331915 321716 a-Alanine, conf. II
335152.1262 5.5003 -3.2567 3 425.8643357 89503 303593821 583820 a-Alanine, conf. II
335152.1262 5.5003 -3.2567 3 425.8643357 89503 303593822 583821 a-Alanine, conf. II
335155.0924 5.0031 -2.9568 3 346.1385345 89503 303572434 562433 a-Alanine, conf. II
335189.4012 1.8752 -2.9146 3 329.3319339 89503 303562135 552134 a-Alanine, conf. II
335237.8621 0.3718 -4.6896 3 106.4535207 89503 30334 826 33 627 a-Alanine, conf. II
335238.3700 0.3718 -4.6896 3 106.4535207 89503 30334 926 33 727 a-Alanine, conf. II
335265.9940 4.6729 -2.9518 3 389.0618393 89503 303651154 641153 a-Alanine, conf. II
335265.9940 4.6729 -4.1604 3 389.0618393 89503 303651154 641253 a-Alanine, conf. II
335265.9940 4.6729 -4.1604 3 389.0618393 89503 303651254 641153 a-Alanine, conf. II
335265.9940 4.6729 -2.9518 3 389.0618393 89503 303651254 641253 a-Alanine, conf. II
335267.2284 3.7699 -2.9451 3 343.4874345 89503 303572335 562334 a-Alanine, conf. II
335298.1128 2.6153 -3.9449 3 185.6614225 89503 3033730 7 3629 8 a-Alanine, conf. II
335298.1128 2.6153 -3.9449 3 185.6614225 89503 3033730 8 3629 7 a-Alanine, conf. II
335465.1730 0.6724 -4.2975 3 137.7424225 89503 303371424 361225 a-Alanine, conf. II
335483.0927 7.2934 -4.5820 3 284.5143315 89503 303522132 512031 a-Alanine, conf. II
335544.4084 5.4735 -3.2290 3 420.6224357 89503 303593722 583721 a-Alanine, conf. II
335544.4084 5.4735 -3.2290 3 420.6224357 89503 303593723 583722 a-Alanine, conf. II
335602.3138 0.9087 -4.2005 3 148.9323231 89503 303381623 371424 a-Alanine, conf. II
335649.3792 1.1676 -4.0880 3 196.1891249 89503 303412517 402416 a-Alanine, conf. II
335649.3803 1.1676 -4.0880 3 196.1891249 89503 303412516 402417 a-Alanine, conf. II
335687.2619 19.2989 -2.9206 3 402.4664423 89503 30370 466 69 465 a-Alanine, conf. II
335687.2619 19.2989 -4.0469 3 402.4664423 89503 30370 466 69 565 a-Alanine, conf. II
335687.2619 19.2989 -4.0469 3 402.4664423 89503 30370 566 69 465 a-Alanine, conf. II
335687.2619 19.2989 -2.9206 3 402.4664423 89503 30370 566 69 565 a-Alanine, conf. II
335718.3456 2.9151 -4.3455 3 364.8531363 89503 303601842 591941 a-Alanine, conf. II
335718.8599 4.3734 -3.8627 3 183.6707207 89503 3033434 0 3333 1 a-Alanine, conf. II
335718.8599 4.3734 -3.8627 3 183.6707207 89503 3033434 1 3333 0 a-Alanine, conf. II
335720.2779 2.9160 -2.9577 3 364.8531363 89503 303601942 591941 a-Alanine, conf. II
335722.8514 2.9170 -2.9577 3 364.8530363 89503 303601842 591841 a-Alanine, conf. II
335724.7838 2.9179 -4.3455 3 364.8530363 89503 303601942 591841 a-Alanine, conf. II
335726.9422 2.6158 -4.4612 3 349.1551351 89503 303582138 572037 a-Alanine, conf. II
335746.5140 5.4919 -3.0280 3 369.8753351 89503 303582831 572830 a-Alanine, conf. II
335752.8697 5.5058 -3.0280 3 369.8755351 89503 303582830 572829 a-Alanine, conf. II
335813.2431 3.8893 -2.9591 3 381.6896381 89503 303631449 621448 a-Alanine, conf. II
335813.2431 3.8893 -4.2234 3 381.6896381 89503 303631449 621548 a-Alanine, conf. II
335813.2431 3.8893 -4.2234 3 381.6896381 89503 303631549 621448 a-Alanine, conf. II
335813.2431 3.8893 -2.9591 3 381.6896381 89503 303631549 621548 a-Alanine, conf. II
335946.4972 0.8462 -4.2887 3 138.5020219 89503 303361818 351619 a-Alanine, conf. II
335975.7506 5.4577 -3.2026 3 415.5412357 89503 303593623 583622 a-Alanine, conf. II
335975.7506 5.4577 -3.2026 3 415.5412357 89503 303593624 583623 a-Alanine, conf. II
336175.4738 10.1260 -2.9370 3 399.5693411 89503 30368 761 67 760 a-Alanine, conf. II
336175.4738 10.1260 -4.0926 3 399.5693411 89503 30368 761 67 860 a-Alanine, conf. II
336175.4738 10.1260 -4.0926 3 399.5693411 89503 30368 861 67 760 a-Alanine, conf. II
336175.4738 10.1260 -2.9370 3 399.5693411 89503 30368 861 67 860 a-Alanine, conf. II
336419.5950 12.9684 -4.6709 3 366.0352357 89503 303592237 582336 a-Alanine, conf. II
336431.6700 40.9310 -2.8958 3 407.1386441 89503 30373 073 72 072 a-Alanine, conf. II
336431.6700 40.9310 -3.9915 3 407.1386441 89503 30373 073 72 172 a-Alanine, conf. II
336431.6700 40.9310 -3.9915 3 407.1386441 89503 30373 173 72 072 a-Alanine, conf. II
336431.6700 40.9310 -2.8958 3 407.1386441 89503 30373 173 72 172 a-Alanine, conf. II
336452.2203 5.4546 -3.1772 3 410.6230357 89503 303593524 583523 a-Alanine, conf. II
336452.2203 5.4546 -3.1772 3 410.6230357 89503 303593525 583524 a-Alanine, conf. II
336533.6317 0.9063 -4.3196 3 217.3827273 89503 303452125 442024 a-Alanine, conf. II
336562.2454 2.2420 -3.9696 3 188.5893231 89503 3033829 9 372810 a-Alanine, conf. II
336562.2454 2.2420 -3.9696 3 188.5893231 89503 303382910 3728 9 a-Alanine, conf. II
336578.6296 1.0131 -4.1286 3 200.8073255 89503 303422419 412318 a-Alanine, conf. II
336578.6946 1.0131 -4.1286 3 200.8073255 89503 303422418 412319 a-Alanine, conf. II
336630.1786 5.5077 -2.9498 3 394.7904399 89503 303661056 651055 a-Alanine, conf. II
336630.1786 5.5077 -4.1427 3 394.7904399 89503 303661056 651155 a-Alanine, conf. II
336630.1786 5.5077 -4.1427 3 394.7904399 89503 303661156 651055 a-Alanine, conf. II
336630.1786 5.5077 -2.9498 3 394.7904399 89503 303661156 651155 a-Alanine, conf. II
336714.7983 3.2811 -4.3068 3 372.2318369 89503 303611744 601843 a-Alanine, conf. II
336714.8710 3.2812 -2.9605 3 372.2318369 89503 303611844 601843 a-Alanine, conf. II
336714.9772 3.2812 -2.9605 3 372.2318369 89503 303611744 601743 a-Alanine, conf. II
336715.0499 3.2812 -4.3068 3 372.2318369 89503 303611844 601743 a-Alanine, conf. II
336860.2516 8.8076 -2.9231 3 332.8779339 89503 303562333 552332 a-Alanine, conf. II
336893.6179 8.0479 -4.8186 3 582.1954363 89503 3036059 1 5959 0 a-Alanine, conf. II
336893.6179 8.0479 -4.8186 3 582.1954363 89503 3036059 2 5959 1 a-Alanine, conf. II
336981.3492 5.4663 -3.1528 3 405.8703357 89503 303593425 583424 a-Alanine, conf. II
336981.3492 5.4663 -3.1528 3 405.8703357 89503 303593426 583425 a-Alanine, conf. II
336988.4951 7.8926 -4.5035 3 573.7971363 89503 3036058 2 5958 1 a-Alanine, conf. II
336988.4951 7.8926 -4.5035 3 573.7971363 89503 3036058 3 5958 2 a-Alanine, conf. II
337023.6745 24.1210 -2.9163 3 406.7313429 89503 30371 368 70 367 a-Alanine, conf. II
337023.6745 24.1210 -4.0340 3 406.7313429 89503 30371 368 70 467 a-Alanine, conf. II
337023.6745 24.1210 -4.0340 3 406.7313429 89503 30371 468 70 367 a-Alanine, conf. II
337023.6745 24.1210 -2.9163 3 406.7313429 89503 30371 468 70 467 a-Alanine, conf. II
337025.6198 3.8671 -3.8821 3 185.3898213 89503 3033533 2 3432 3 a-Alanine, conf. II
337025.6198 3.8671 -3.8821 3 185.3898213 89503 3033533 3 3432 2 a-Alanine, conf. II
337075.6997 5.7458 -3.0080 3 366.3903351 89503 303582732 572731 a-Alanine, conf. II
337089.0127 7.7423 -4.3137 3 565.5451363 89503 3036057 3 5957 2 a-Alanine, conf. II
337089.0127 7.7423 -4.3137 3 565.5451363 89503 3036057 4 5957 3 a-Alanine, conf. II
337092.7048 3.2675 -4.8542 3 173.5209249 89503 303411625 401526 a-Alanine, conf. II
337126.1920 5.8442 -3.0079 3 366.3915351 89503 303582731 572730 a-Alanine, conf. II
337128.7599 4.1678 -2.9586 3 388.0847387 89503 303641351 631350 a-Alanine, conf. II
337128.7599 4.1678 -4.2010 3 388.0847387 89503 303641351 631450 a-Alanine, conf. II
337128.7599 4.1678 -4.2010 3 388.0847387 89503 303641451 631350 a-Alanine, conf. II
337128.7599 4.1678 -2.9586 3 388.0847387 89503 303641451 631450 a-Alanine, conf. II
337195.5806 7.5971 -4.1753 3 557.4397363 89503 3036056 4 5956 3 a-Alanine, conf. II
337195.5806 7.5971 -4.1753 3 557.4397363 89503 3036056 5 5956 4 a-Alanine, conf. II
337289.0986 0.9370 -4.1767 3 205.8495261 89503 303432321 422220 a-Alanine, conf. II
337291.7029 0.9372 -4.1767 3 205.8494261 89503 303432320 422221 a-Alanine, conf. II
337308.6487 7.4571 -4.0653 3 549.4811363 89503 3036055 5 5955 4 a-Alanine, conf. II
337308.6487 7.4571 -4.0653 3 549.4811363 89503 3036055 6 5955 5 a-Alanine, conf. II
337428.7122 7.3223 -3.9734 3 541.6695363 89503 3036054 6 5954 5 a-Alanine, conf. II
337428.7122 7.3223 -3.9734 3 541.6695363 89503 3036054 7 5954 6 a-Alanine, conf. II
337533.8431 0.8019 -4.2860 3 138.4469219 89503 303361819 351620 a-Alanine, conf. II
337535.6378 13.0296 -2.9336 3 404.4620417 89503 30369 663 68 662 a-Alanine, conf. II
337535.6378 13.0296 -4.0784 3 404.4620417 89503 30369 663 68 762 a-Alanine, conf. II
337535.6378 13.0296 -4.0784 3 404.4620417 89503 30369 763 68 662 a-Alanine, conf. II
337535.6378 13.0296 -2.9336 3 404.4620417 89503 30369 763 68 762 a-Alanine, conf. II
337548.7873 2.0545 -4.8418 3 99.9015171 89503 3032822 6 2720 7 a-Alanine, conf. II
337548.7873 2.0545 -4.8418 3 99.9015171 89503 3032822 7 2720 8 a-Alanine, conf. II
337556.3172 7.1928 -3.8939 3 534.0053363 89503 3036053 7 5953 6 a-Alanine, conf. II
337556.3172 7.1928 -3.8939 3 534.0053363 89503 3036053 8 5953 7 a-Alanine, conf. II
337572.6617 5.4959 -3.1294 3 401.2864357 89503 303593327 583326 a-Alanine, conf. II
337572.6618 5.4959 -3.1294 3 401.2864357 89503 303593326 583325 a-Alanine, conf. II
337589.9492 0.9378 -4.2366 3 211.3503267 89503 303442223 432122 a-Alanine, conf. II
337662.2796 0.9488 -4.2364 3 211.3484267 89503 303442222 432123 a-Alanine, conf. II
337692.0677 7.0687 -3.8238 3 526.4888363 89503 3036052 8 5952 7 a-Alanine, conf. II
337692.0677 7.0687 -3.8238 3 526.4888363 89503 3036052 9 5952 8 a-Alanine, conf. II
337786.2495 0.8041 -4.1947 3 150.8266231 89503 303381722 371523 a-Alanine, conf. II
337796.2838 1.9038 -3.9965 3 191.8798237 89503 303392811 382712 a-Alanine, conf. II
337796.2838 1.9038 -3.9965 3 191.8798237 89503 303392812 382711 a-Alanine, conf. II
337836.6335 6.9501 -3.7608 3 519.1203363 89503 3036051 9 5951 8 a-Alanine, conf. II
337836.6335 6.9501 -3.7608 3 519.1203363 89503 303605110 5951 9 a-Alanine, conf. II
337853.4834 3.6267 -4.2748 3 379.3528375 89503 303621646 611745 a-Alanine, conf. II
337853.4856 3.6267 -2.9622 3 379.3528375 89503 303621746 611745 a-Alanine, conf. II
337853.4890 3.6267 -2.9622 3 379.3528375 89503 303621646 611645 a-Alanine, conf. II
337853.4913 3.6267 -4.2748 3 379.3528375 89503 303621746 611645 a-Alanine, conf. II
337874.5726 1.1458 -4.3170 3 217.3488273 89503 303452124 442025 a-Alanine, conf. II
337990.7592 6.8370 -3.7036 3 511.9003363 89503 303605010 5950 9 a-Alanine, conf. II
337990.7592 6.8370 -3.7036 3 511.9003363 89503 303605011 595010 a-Alanine, conf. II
337997.7752 6.8011 -2.9475 3 400.3189405 89503 30367 958 66 957 a-Alanine, conf. II
337997.7752 6.8011 -4.1264 3 400.3189405 89503 30367 958 661057 a-Alanine, conf. II
337997.7752 6.8011 -4.1264 3 400.3189405 89503 303671058 66 957 a-Alanine, conf. II
337997.7752 6.8011 -2.9475 3 400.3189405 89503 303671058 661057 a-Alanine, conf. II
338065.6443 2.8601 -4.0247 3 183.2906255 89503 303421725 411526 a-Alanine, conf. II
338114.4812 2.3058 -2.9254 3 340.5126345 89503 303572136 562135 a-Alanine, conf. II
338134.7442 2.5040 -2.9445 3 352.0123351 89503 303582237 572236 a-Alanine, conf. II
338155.2752 6.7295 -3.6510 3 504.8290363 89503 303604911 594910 a-Alanine, conf. II
338155.2752 6.7295 -3.6510 3 504.8290363 89503 303604912 594911 a-Alanine, conf. II
338238.4777 5.5478 -3.1069 3 396.8750357 89503 303593228 583227 a-Alanine, conf. II
338238.4789 5.5478 -3.1069 3 396.8750357 89503 303593227 583226 a-Alanine, conf. II
338326.5680 3.3949 -3.9027 3 187.4557219 89503 3033632 4 3531 5 a-Alanine, conf. II
338326.5680 3.3949 -3.9027 3 187.4557219 89503 3033632 5 3531 4 a-Alanine, conf. II
338331.1108 6.6278 -3.6024 3 497.9071363 89503 303604812 594811 a-Alanine, conf. II
338331.1108 6.6278 -3.6024 3 497.9071363 89503 303604813 594812 a-Alanine, conf. II
338348.7220 29.7822 -2.9117 3 410.8022435 89503 30372 270 71 269 a-Alanine, conf. II
338348.7220 29.7822 -4.0215 3 410.8022435 89503 30372 270 71 369 a-Alanine, conf. II
338348.7220 29.7822 -4.0215 3 410.8022435 89503 30372 370 71 269 a-Alanine, conf. II
338348.7220 29.7822 -2.9117 3 410.8022435 89503 30372 370 71 369 a-Alanine, conf. II
338362.7840 1.0634 -4.0829 3 176.4674249 89503 303411823 401624 a-Alanine, conf. II
338367.2311 0.8955 -4.2560 3 145.5831225 89503 303371819 361620 a-Alanine, conf. II
338469.2927 4.5329 -2.9577 3 394.2681393 89503 303651253 641252 a-Alanine, conf. II
338469.2927 4.5329 -4.1809 3 394.2681393 89503 303651253 641352 a-Alanine, conf. II
338469.2927 4.5329 -4.1809 3 394.2681393 89503 303651353 641252 a-Alanine, conf. II
338469.2927 4.5329 -2.9577 3 394.2681393 89503 303651353 641352 a-Alanine, conf. II
338519.3096 6.5320 -3.5571 3 491.1349363 89503 303604713 594712 a-Alanine, conf. II
338519.3096 6.5320 -3.5571 3 491.1349363 89503 303604714 594713 a-Alanine, conf. II
338519.4579 2.5246 -4.4473 3 360.3537357 89503 303592039 582138 a-Alanine, conf. II
338652.6309 6.0016 -2.9884 3 363.1304351 89503 303582633 572632 a-Alanine, conf. II
338721.0483 6.4424 -3.5146 3 484.5130363 89503 303604614 594613 a-Alanine, conf. II
338721.0483 6.4424 -3.5146 3 484.5130363 89503 303604615 594614 a-Alanine, conf. II
338820.2664 0.3408 -4.4299 3 126.4359219 89503 303361125 35 926 a-Alanine, conf. II
338827.6062 2.5064 -2.9513 3 360.3537357 89503 303592139 582138 a-Alanine, conf. II
338888.0048 16.6192 -2.9299 3 409.1600423 89503 30370 565 69 564 a-Alanine, conf. II
338888.0048 16.6192 -4.0648 3 409.1600423 89503 30370 565 69 664 a-Alanine, conf. II
338888.0048 16.6192 -4.0648 3 409.1600423 89503 30370 665 69 564 a-Alanine, conf. II
338888.0048 16.6192 -2.9299 3 409.1600423 89503 30370 665 69 664 a-Alanine, conf. II
338937.6586 6.3590 -3.4748 3 478.0421363 89503 303604515 594514 a-Alanine, conf. II
338937.6586 6.3590 -3.4748 3 478.0421363 89503 303604516 594515 a-Alanine, conf. II
338958.9545 0.3429 -4.4296 3 126.4360219 89503 303361225 351026 a-Alanine, conf. II
338964.4100 1.1651 -4.1420 3 168.3727243 89503 303401822 391623 a-Alanine, conf. II
338985.3178 1.6041 -4.0259 3 195.5401243 89503 303402713 392614 a-Alanine, conf. II
338985.3178 1.6041 -4.0259 3 195.5401243 89503 303402714 392613 a-Alanine, conf. II
338989.2942 6.5753 -2.9875 3 363.1400351 89503 303582632 572631 a-Alanine, conf. II
338995.1824 5.6281 -3.0851 3 392.6411357 89503 303593129 583128 a-Alanine, conf. II
338995.1982 5.6281 -3.0851 3 392.6411357 89503 303593128 583127 a-Alanine, conf. II
339080.9002 3.9366 -4.2474 3 386.2350381 89503 303631548 621647 a-Alanine, conf. II
339080.9002 3.9366 -2.9631 3 386.2350381 89503 303631648 621647 a-Alanine, conf. II
339080.9003 3.9366 -2.9631 3 386.2350381 89503 303631548 621547 a-Alanine, conf. II
339080.9004 3.9366 -4.2474 3 386.2350381 89503 303631648 621547 a-Alanine, conf. II
339132.7279 1.6335 -4.6596 3 107.9639183 89503 3033021 9 291910 a-Alanine, conf. II
339132.7289 1.6335 -4.6596 3 107.9639183 89503 303302110 291911 a-Alanine, conf. II
339152.6444 2.5463 -2.9504 3 360.3326357 89503 303592039 582038 a-Alanine, conf. II
339167.3094 9.2080 -2.9453 3 346.3004345 89503 303572433 562432 a-Alanine, conf. II
339170.6558 6.2821 -3.4371 3 471.7229363 89503 303604416 594415 a-Alanine, conf. II
339170.6558 6.2821 -3.4371 3 471.7229363 89503 303604417 594416 a-Alanine, conf. II
339252.4754 4.0873 -4.5558 3 212.8758273 89503 303451926 441827 a-Alanine, conf. II
339348.2285 2.8326 -4.3845 3 368.3609363 89503 303601941 592040 a-Alanine, conf. II
339364.6560 8.6473 -2.9449 3 405.6492411 89503 30368 860 67 859 a-Alanine, conf. II
339364.6560 8.6473 -4.1110 3 405.6492411 89503 30368 860 67 959 a-Alanine, conf. II
339364.6560 8.6473 -4.1110 3 405.6492411 89503 30368 960 67 859 a-Alanine, conf. II
339364.6560 8.6473 -2.9449 3 405.6492411 89503 30368 960 67 959 a-Alanine, conf. II
339366.3830 2.8389 -2.9575 3 368.3609363 89503 303602041 592040 a-Alanine, conf. II
339388.5972 2.8456 -2.9575 3 368.3595363 89503 303601941 591940 a-Alanine, conf. II
339406.7517 2.8524 -4.3844 3 368.3595363 89503 303602041 591940 a-Alanine, conf. II
339410.3267 0.9560 -4.0228 3 184.7651255 89503 303421824 411625 a-Alanine, conf. II
339421.7716 6.2121 -3.4015 3 465.5560363 89503 303604317 594316 a-Alanine, conf. II
339421.7716 6.2121 -3.4015 3 465.5560363 89503 303604318 594317 a-Alanine, conf. II
339460.5378 6.4487 -4.5662 3 274.1880309 89503 303512131 502030 a-Alanine, conf. II
339460.7927 2.6585 -4.4446 3 360.3326357 89503 303592139 582038 a-Alanine, conf. II
339617.6952 2.9564 -3.9246 3 189.8717225 89503 3033731 6 3630 7 a-Alanine, conf. II
339617.6952 2.9564 -3.9246 3 189.8717225 89503 3033731 7 3630 6 a-Alanine, conf. II
339661.6190 36.3571 -2.9069 3 414.6788441 89503 30373 172 72 171 a-Alanine, conf. II
339661.6190 36.3571 -4.0093 3 414.6788441 89503 30373 172 72 271 a-Alanine, conf. II
339661.6190 36.3571 -4.0093 3 414.6788441 89503 30373 272 72 171 a-Alanine, conf. II
339661.6190 36.3571 -2.9069 3 414.6788441 89503 30373 272 72 271 a-Alanine, conf. II
339667.6945 0.9159 -4.2417 3 146.8947231 89503 303381524 371325 a-Alanine, conf. II
339671.2929 0.9842 -4.2240 3 152.9176231 89503 303381820 371621 a-Alanine, conf. II
339692.9973 6.1493 -3.3677 3 459.5425363 89503 303604218 594217 a-Alanine, conf. II
339692.9973 6.1493 -3.3677 3 459.5425363 89503 303604219 594218 a-Alanine, conf. II
339721.3724 0.9889 -4.3953 3 127.1648207 89503 303341915 331716 a-Alanine, conf. II
339742.8789 1.1004 -4.1884 3 160.5155237 89503 303391821 381622 a-Alanine, conf. II
339754.5399 0.9874 -4.3952 3 127.1636207 89503 303341916 331717 a-Alanine, conf. II
339821.4951 2.9657 -4.1169 3 173.4298249 89503 303411625 401426 a-Alanine, conf. II
339824.7101 5.1103 -2.9563 3 400.2451399 89503 303661155 651154 a-Alanine, conf. II
339824.7101 5.1103 -4.1625 3 400.2451399 89503 303661155 651254 a-Alanine, conf. II
339824.7101 5.1103 -4.1625 3 400.2451399 89503 303661255 651154 a-Alanine, conf. II
339824.7101 5.1103 -2.9563 3 400.2451399 89503 303661255 651254 a-Alanine, conf. II
339865.3163 5.7465 -3.0640 3 388.5906357 89503 303593030 583029 a-Alanine, conf. II
339865.4935 5.7470 -3.0640 3 388.5907357 89503 303593029 583028 a-Alanine, conf. II
339906.0981 5.0503 -2.9005 3 331.0419339 89503 303562234 552233 a-Alanine, conf. II
339986.6366 6.0940 -3.3356 3 453.6833363 89503 303604119 594118 a-Alanine, conf. II
339986.6366 6.0940 -3.3356 3 453.6833363 89503 303604120 594119 a-Alanine, conf. II
340047.4093 1.2724 -4.5166 3 117.0320195 89503 303322012 311813 a-Alanine, conf. II
340047.6900 1.2723 -4.5166 3 117.0320195 89503 303322013 311814 a-Alanine, conf. II
340107.0793 1.3498 -4.0586 3 199.5798249 89503 303412615 402516 a-Alanine, conf. II
340107.0793 1.3498 -4.0586 3 199.5798249 89503 303412616 402515 a-Alanine, conf. II
340190.1440 3.2165 -4.3392 3 376.0516369 89503 303611843 601942 a-Alanine, conf. II
340190.9618 3.2170 -2.9618 3 376.0516369 89503 303611943 601942 a-Alanine, conf. II
340192.0763 3.2175 -2.9618 3 376.0515369 89503 303611843 601842 a-Alanine, conf. II
340192.8941 3.2179 -4.3392 3 376.0515369 89503 303611943 601842 a-Alanine, conf. II
340231.0540 20.9520 -2.9261 3 413.6637429 89503 30371 467 70 466 a-Alanine, conf. II
340231.0540 20.9520 -4.0518 3 413.6637429 89503 30371 467 70 566 a-Alanine, conf. II
340231.0540 20.9520 -4.0518 3 413.6637429 89503 30371 567 70 466 a-Alanine, conf. II
340231.0540 20.9520 -2.9261 3 413.6637429 89503 30371 567 70 566 a-Alanine, conf. II
340302.4470 5.9488 -2.9696 3 360.1103351 89503 303582534 572533 a-Alanine, conf. II
340305.3735 6.0470 -3.3049 3 447.9796363 89503 303604020 594019 a-Alanine, conf. II
340305.3735 6.0470 -3.3049 3 447.9796363 89503 303604021 594020 a-Alanine, conf. II
340364.6232 4.2198 -2.9634 3 392.8911387 89503 303641450 631449 a-Alanine, conf. II
340364.6232 4.2198 -4.2235 3 392.8911387 89503 303641450 631549 a-Alanine, conf. II
340364.6232 4.2198 -4.2235 3 392.8911387 89503 303641550 631449 a-Alanine, conf. II
340364.6232 4.2198 -2.9634 3 392.8911387 89503 303641550 631549 a-Alanine, conf. II
340476.5125 0.9481 -4.3491 3 226.2029279 89503 303462126 452025 a-Alanine, conf. II
340599.6501 0.3399 -4.5914 3 115.0747213 89503 30335 926 34 727 a-Alanine, conf. II
340602.4537 0.3400 -4.5914 3 115.0747213 89503 303351026 34 827 a-Alanine, conf. II
340625.9938 0.4547 -4.8016 3 103.7126207 89503 30334 727 33 528 a-Alanine, conf. II
340626.0231 0.4547 -4.8016 3 103.7126207 89503 30334 827 33 628 a-Alanine, conf. II
340652.3600 6.0089 -3.2757 3 442.4325363 89503 303603921 593920 a-Alanine, conf. II
340652.3600 6.0089 -3.2757 3 442.4325363 89503 303603922 593921 a-Alanine, conf. II
340698.4928 3.5631 -2.9455 3 354.6707351 89503 303582336 572335 a-Alanine, conf. II
340727.7099 11.1094 -2.9421 3 410.7829417 89503 30369 762 68 761 a-Alanine, conf. II
340727.7099 11.1094 -4.0966 3 410.7829417 89503 30369 762 68 861 a-Alanine, conf. II
340727.7099 11.1094 -4.0966 3 410.7829417 89503 30369 862 68 761 a-Alanine, conf. II
340727.7099 11.1094 -2.9421 3 410.7829417 89503 30369 862 68 861 a-Alanine, conf. II
340734.0281 4.0933 -4.5243 3 363.2912357 89503 303592138 582237 a-Alanine, conf. II
340880.9495 5.9175 -3.0435 3 384.7316357 89503 303592931 582930 a-Alanine, conf. II
340882.7032 5.9219 -3.0435 3 384.7317357 89503 303592930 582929 a-Alanine, conf. II
340893.3199 2.5518 -3.9482 3 192.6418231 89503 3033830 8 3729 9 a-Alanine, conf. II
340893.3199 2.5518 -3.9482 3 192.6418231 89503 3033830 9 3729 8 a-Alanine, conf. II
340961.7459 43.9255 -2.9018 3 418.3607447 89503 30374 074 73 073 a-Alanine, conf. II
340961.7459 43.9255 -3.9974 3 418.3607447 89503 30374 074 73 173 a-Alanine, conf. II
340961.7459 43.9255 -3.9974 3 418.3607447 89503 30374 174 73 073 a-Alanine, conf. II
340961.7459 43.9255 -2.9018 3 418.3607447 89503 30374 174 73 173 a-Alanine, conf. II
341031.3317 5.9805 -3.2477 3 437.0437363 89503 303603822 593821 a-Alanine, conf. II
341031.3317 5.9805 -3.2477 3 437.0437363 89503 303603823 593822 a-Alanine, conf. II
341099.1145 2.5467 -2.9351 3 351.7909351 89503 303582137 572136 a-Alanine, conf. II
341127.1413 1.1525 -4.0955 3 204.0112255 89503 303422518 412417 a-Alanine, conf. II
341127.1454 1.1525 -4.0955 3 204.0112255 89503 303422517 412418 a-Alanine, conf. II
341187.8506 6.0496 -2.9546 3 406.0192405 89503 303671057 661056 a-Alanine, conf. II
341187.8506 6.0496 -4.1456 3 406.0192405 89503 303671057 661156 a-Alanine, conf. II
341187.8506 6.0496 -4.1456 3 406.0192405 89503 303671157 661056 a-Alanine, conf. II
341187.8506 6.0496 -2.9546 3 406.0192405 89503 303671157 661156 a-Alanine, conf. II
341224.2784 3.5997 -4.3031 3 383.4634375 89503 303621745 611844 a-Alanine, conf. II
341224.3077 3.5997 -2.9647 3 383.4634375 89503 303621845 611844 a-Alanine, conf. II
341224.3512 3.5997 -2.9647 3 383.4634375 89503 303621745 611744 a-Alanine, conf. II
341224.3805 3.5997 -4.3031 3 383.4634375 89503 303621845 611744 a-Alanine, conf. II
341328.1322 5.0824 -2.9540 3 357.3181351 89503 303582435 572434 a-Alanine, conf. II
341332.4030 4.3015 -3.8647 3 190.0558213 89503 3033534 1 3433 2 a-Alanine, conf. II
341332.4030 4.3015 -3.8647 3 190.0558213 89503 3033534 2 3433 1 a-Alanine, conf. II
341444.7005 4.8573 -4.6869 3 202.1631267 89503 303441826 431727 a-Alanine, conf. II
341446.7613 5.9631 -3.2209 3 431.8149363 89503 303603723 593722 a-Alanine, conf. II
341446.7613 5.9631 -3.2209 3 431.8149363 89503 303603724 593723 a-Alanine, conf. II
341563.5879 26.0919 -2.9220 3 417.9732435 89503 30372 369 71 368 a-Alanine, conf. II
341563.5879 26.0919 -4.0393 3 417.9732435 89503 30372 369 71 468 a-Alanine, conf. II
341563.5879 26.0919 -4.0393 3 417.9732435 89503 30372 469 71 368 a-Alanine, conf. II
341563.5879 26.0919 -2.9220 3 417.9732435 89503 30372 469 71 468 a-Alanine, conf. II
341639.1002 0.8067 -4.2515 3 145.4686225 89503 303371820 361621 a-Alanine, conf. II
341684.3005 4.5210 -2.9632 3 399.3301393 89503 303651352 641351 a-Alanine, conf. II
341684.3005 4.5210 -4.2021 3 399.3301393 89503 303651352 641451 a-Alanine, conf. II
341684.3005 4.5210 -4.2021 3 399.3301393 89503 303651452 641351 a-Alanine, conf. II
341684.3005 4.5210 -2.9632 3 399.3301393 89503 303651452 641451 a-Alanine, conf. II
341904.0693 5.9582 -3.1952 3 426.7482363 89503 303603624 593623 a-Alanine, conf. II
341904.0693 5.9582 -3.1952 3 426.7482363 89503 303603625 593624 a-Alanine, conf. II
341989.3694 1.0285 -4.1382 3 208.8518261 89503 303432420 422319 a-Alanine, conf. II
341989.5749 1.0285 -4.1382 3 208.8518261 89503 303432419 422320 a-Alanine, conf. II
342076.8407 8.4478 -2.9649 3 360.1709351 89503 303582533 572532 a-Alanine, conf. II
342084.5543 14.2387 -2.9390 3 415.7210423 89503 30370 664 69 663 a-Alanine, conf. II
342084.5543 14.2387 -4.0829 3 415.7210423 89503 30370 664 69 763 a-Alanine, conf. II
342084.5543 14.2387 -4.0829 3 415.7210423 89503 30370 764 69 663 a-Alanine, conf. II
342084.5543 14.2387 -2.9390 3 415.7210423 89503 30370 764 69 763 a-Alanine, conf. II
342087.4750 6.1586 -3.0234 3 381.0746357 89503 303592832 582831 a-Alanine, conf. II
342102.6114 6.1932 -3.0234 3 381.0750357 89503 303592831 582830 a-Alanine, conf. II
342145.3566 2.1821 -3.9736 3 195.7711237 89503 303392910 382811 a-Alanine, conf. II
342145.3566 2.1821 -3.9736 3 195.7711237 89503 303392911 382810 a-Alanine, conf. II
342285.7599 2.9290 -4.4504 3 223.8526279 89503 303462026 451927 a-Alanine, conf. II
342384.9205 3.9564 -4.2730 3 390.6224381 89503 303631647 621746 a-Alanine, conf. II
342384.9213 3.9564 -2.9666 3 390.6224381 89503 303631747 621746 a-Alanine, conf. II
342384.9227 3.9564 -2.9666 3 390.6224381 89503 303631647 621646 a-Alanine, conf. II
342384.9235 3.9564 -4.2730 3 390.6224381 89503 303631747 621646 a-Alanine, conf. II
342409.9173 5.9677 -3.1705 3 421.8458363 89503 303603525 593524 a-Alanine, conf. II
342409.9173 5.9677 -3.1705 3 421.8458363 89503 303603526 593525 a-Alanine, conf. II
342464.0234 8.6347 -4.8457 3 601.9744369 89503 3036160 1 6060 0 a-Alanine, conf. II
342464.0234 8.6347 -4.8457 3 601.9744369 89503 3036160 2 6060 1 a-Alanine, conf. II
342553.5076 7.4827 -2.9526 3 411.5932411 89503 30368 959 67 958 a-Alanine, conf. II
342553.5076 7.4827 -4.1298 3 411.5932411 89503 30368 959 671058 a-Alanine, conf. II
342553.5076 7.4827 -4.1298 3 411.5932411 89503 303681059 67 958 a-Alanine, conf. II
342553.5076 7.4827 -2.9526 3 411.5932411 89503 303681059 671058 a-Alanine, conf. II
342558.4305 8.4763 -4.5303 3 593.4330369 89503 3036159 2 6059 1 a-Alanine, conf. II
342558.4305 8.4763 -4.5303 3 593.4330369 89503 3036159 3 6059 2 a-Alanine, conf. II
342591.5880 0.9901 -4.1892 3 214.1263267 89503 303442322 432221 a-Alanine, conf. II
342598.8732 0.9910 -4.1892 3 214.1261267 89503 303442321 432222 a-Alanine, conf. II
342618.9820 0.5064 -4.3621 3 135.4484225 89503 303371225 361026 a-Alanine, conf. II
342636.3551 3.7962 -3.8845 3 191.9697219 89503 3033633 3 3532 4 a-Alanine, conf. II
342636.3551 3.7962 -3.8845 3 191.9697219 89503 3033633 4 3532 3 a-Alanine, conf. II
342655.0875 1.0138 -4.2540 3 219.8761273 89503 303452224 442123 a-Alanine, conf. II
342658.3725 8.3230 -4.3401 3 585.0378369 89503 3036158 3 6058 2 a-Alanine, conf. II
342658.3725 8.3230 -4.3401 3 585.0378369 89503 3036158 4 6058 3 a-Alanine, conf. II
342678.3041 2.5874 -2.9487 3 363.2912357 89503 303592238 582237 a-Alanine, conf. II
342764.2439 8.1749 -4.2013 3 576.7892369 89503 3036157 4 6057 3 a-Alanine, conf. II
342764.2439 8.1749 -4.2013 3 576.7892369 89503 3036157 5 6057 4 a-Alanine, conf. II
342833.7571 1.0493 -4.2536 3 219.8715273 89503 303452223 442124 a-Alanine, conf. II
342876.4773 8.0322 -4.0910 3 568.6873369 89503 3036156 5 6056 4 a-Alanine, conf. II
342876.4773 8.0322 -4.0910 3 568.6873369 89503 3036156 6 6056 5 a-Alanine, conf. II
342884.6600 32.1098 -2.9177 3 422.0883441 89503 30373 271 72 270 a-Alanine, conf. II
342884.6600 32.1098 -4.0272 3 422.0883441 89503 30373 271 72 370 a-Alanine, conf. II
342884.6600 32.1098 -4.0272 3 422.0883441 89503 30373 371 72 270 a-Alanine, conf. II
342884.6600 32.1098 -2.9177 3 422.0883441 89503 30373 371 72 370 a-Alanine, conf. II
342887.2711 4.9969 -4.5298 3 264.0708303 89503 303502130 492029 a-Alanine, conf. II
342893.0285 2.0057 -4.7701 3 105.2027177 89503 3032922 7 2820 8 a-Alanine, conf. II
342893.0285 2.0057 -4.7701 3 105.2027177 89503 3032922 8 2820 9 a-Alanine, conf. II
342972.6300 5.9944 -3.1468 3 417.1108363 89503 303603426 593425 a-Alanine, conf. II
342972.6300 5.9944 -3.1468 3 417.1108363 89503 303603427 593426 a-Alanine, conf. II
342995.5476 7.8947 -3.9987 3 560.7325369 89503 3036155 6 6055 5 a-Alanine, conf. II
342995.5476 7.8947 -3.9987 3 560.7325369 89503 3036155 7 6055 6 a-Alanine, conf. II
343026.4598 4.9308 -2.9625 3 405.5582399 89503 303661254 651253 a-Alanine, conf. II
343026.4598 4.9308 -4.1829 3 405.5582399 89503 303661254 651353 a-Alanine, conf. II
343026.4598 4.9308 -4.1829 3 405.5582399 89503 303661354 651253 a-Alanine, conf. II
343026.4598 4.9308 -2.9625 3 405.5582399 89503 303661354 651353 a-Alanine, conf. II
343039.8795 2.7541 -4.4319 3 371.6558363 89503 303602040 592139 a-Alanine, conf. II
343121.9780 7.7627 -3.9189 3 552.9249369 89503 3036154 7 6054 6 a-Alanine, conf. II
343121.9780 7.7627 -3.9189 3 552.9249369 89503 3036154 8 6054 7 a-Alanine, conf. II
343136.4577 0.4963 -4.3611 3 135.4489225 89503 303371325 361126 a-Alanine, conf. II
343186.4572 2.7691 -2.9562 3 371.6558363 89503 303602140 592139 a-Alanine, conf. II
343256.3458 7.6361 -3.8484 3 545.2650369 89503 3036153 8 6053 7 a-Alanine, conf. II
343256.3458 7.6361 -3.8484 3 545.2650369 89503 3036153 9 6053 8 a-Alanine, conf. II
343348.0278 2.7974 -2.9557 3 371.6455363 89503 303602040 592039 a-Alanine, conf. II
343348.4918 1.4747 -4.3439 3 226.1315279 89503 303462125 452026 a-Alanine, conf. II
343362.1787 1.8497 -4.0013 3 199.2657243 89503 303402812 392713 a-Alanine, conf. II
343362.1787 1.8497 -4.0013 3 199.2657243 89503 303402813 392712 a-Alanine, conf. II
343399.2899 7.5151 -3.7851 3 537.7530369 89503 3036152 9 6052 8 a-Alanine, conf. II
343399.2899 7.5151 -3.7851 3 537.7530369 89503 303615210 6052 9 a-Alanine, conf. II
343433.3406 18.0878 -2.9356 3 420.4641429 89503 30371 566 70 565 a-Alanine, conf. II
343433.3406 18.0878 -4.0698 3 420.4641429 89503 30371 566 70 665 a-Alanine, conf. II
343433.3406 18.0878 -4.0698 3 420.4641429 89503 30371 666 70 565 a-Alanine, conf. II
343433.3406 18.0878 -2.9356 3 420.4641429 89503 30371 666 70 665 a-Alanine, conf. II
343490.2143 1.1912 -4.3856 3 235.2700285 89503 303472127 462026 a-Alanine, conf. II
343494.6055 2.8463 -4.4306 3 371.6455363 89503 303602140 592039 a-Alanine, conf. II
343535.8738 6.4627 -3.0036 3 377.6339357 89503 303592733 582732 a-Alanine, conf. II
343551.5191 7.3998 -3.7275 3 530.3894369 89503 303615110 6051 9 a-Alanine, conf. II
343551.5191 7.3998 -3.7275 3 530.3894369 89503 303615111 605110 a-Alanine, conf. II
343575.1140 1.7189 -3.9845 3 193.2269261 89503 303431825 421626 a-Alanine, conf. II
343602.8212 6.0422 -3.1239 3 412.5466363 89503 303603328 593327 a-Alanine, conf. II
343602.8215 6.0422 -3.1239 3 412.5466363 89503 303603327 593326 a-Alanine, conf. II
343624.9279 4.2752 -4.2471 3 397.5455387 89503 303641549 631648 a-Alanine, conf. II
343624.9280 4.2752 -2.9678 3 397.5455387 89503 303641549 631548 a-Alanine, conf. II
343624.9280 4.2752 -4.2471 3 397.5455387 89503 303641649 631548 a-Alanine, conf. II
343624.9280 4.2752 -2.9678 3 397.5455387 89503 303641649 631648 a-Alanine, conf. II
343647.6760 6.6890 -3.0033 3 377.6369357 89503 303592732 582731 a-Alanine, conf. II
343713.8221 7.2902 -3.6745 3 523.1744369 89503 303615011 605010 a-Alanine, conf. II
343713.8221 7.2902 -3.6745 3 523.1744369 89503 303615012 605011 a-Alanine, conf. II
343780.9665 3.1333 -4.3761 3 379.6809369 89503 303611942 602041 a-Alanine, conf. II
343789.0016 3.1368 -2.9623 3 379.6809369 89503 303612042 602041 a-Alanine, conf. II
343799.1210 3.1405 -2.9622 3 379.6803369 89503 303611942 601941 a-Alanine, conf. II
343805.2929 2.2594 -4.1943 3 163.6792243 89503 303401525 391326 a-Alanine, conf. II
343807.1562 3.1440 -4.3760 3 379.6803369 89503 303612042 601941 a-Alanine, conf. II
343887.0793 7.1864 -3.6255 3 516.1087369 89503 303614912 604911 a-Alanine, conf. II
343887.0793 7.1864 -3.6255 3 516.1087369 89503 303614913 604912 a-Alanine, conf. II
343917.8090 9.5016 -2.9503 3 416.9692417 89503 30369 861 68 860 a-Alanine, conf. II
343917.8090 9.5016 -4.1151 3 416.9692417 89503 30369 861 68 960 a-Alanine, conf. II
343917.8090 9.5016 -4.1151 3 416.9692417 89503 30369 961 68 860 a-Alanine, conf. II
343917.8090 9.5016 -2.9503 3 416.9692417 89503 30369 961 68 960 a-Alanine, conf. II
343932.8101 3.3254 -3.9055 3 194.2318225 89503 3033732 5 3631 6 a-Alanine, conf. II
343932.8101 3.3254 -3.9055 3 194.2318225 89503 3033732 6 3631 5 a-Alanine, conf. II
344072.2771 7.0887 -3.5799 3 509.1926369 89503 303614813 604812 a-Alanine, conf. II
344072.2771 7.0887 -3.5799 3 509.1926369 89503 303614814 604813 a-Alanine, conf. II
344138.5706 0.9724 -4.3566 3 133.7300213 89503 303351916 341717 a-Alanine, conf. II
344193.5219 39.0823 -2.9131 3 426.0087447 89503 30374 173 73 172 a-Alanine, conf. II
344193.5219 39.0823 -4.0154 3 426.0087447 89503 30374 173 73 272 a-Alanine, conf. II
344193.5219 39.0823 -4.0154 3 426.0087447 89503 30374 273 73 172 a-Alanine, conf. II
344193.5219 39.0823 -2.9131 3 426.0087447 89503 30374 273 73 272 a-Alanine, conf. II
344226.2986 0.9686 -4.3564 3 133.7270213 89503 303351917 341718 a-Alanine, conf. II
344270.5242 6.9972 -3.5371 3 502.4267369 89503 303614714 604713 a-Alanine, conf. II
344270.5242 6.9972 -3.5371 3 502.4267369 89503 303614715 604714 a-Alanine, conf. II
344314.3597 6.1166 -3.1018 3 408.1574363 89503 303603229 593228 a-Alanine, conf. II
344314.3634 6.1166 -3.1018 3 408.1574363 89503 303603228 593227 a-Alanine, conf. II
344320.3071 1.5887 -4.6049 3 113.6703189 89503 303312110 301911 a-Alanine, conf. II
344320.3112 1.5887 -4.6049 3 113.6703189 89503 303312111 301912 a-Alanine, conf. II
344381.8003 5.5853 -2.9614 3 411.5804405 89503 303671156 661155 a-Alanine, conf. II
344381.8003 5.5853 -4.1653 3 411.5804405 89503 303671156 661255 a-Alanine, conf. II
344381.8003 5.5853 -4.1653 3 411.5804405 89503 303671256 661155 a-Alanine, conf. II
344381.8003 5.5853 -2.9614 3 411.5804405 89503 303671256 661255 a-Alanine, conf. II
344405.9021 2.6731 -2.9435 3 363.1687357 89503 303592138 582137 a-Alanine, conf. II
344428.0658 0.9653 -4.1747 3 158.2248237 89503 303391723 381524 a-Alanine, conf. II
344483.0719 6.9120 -3.4969 3 495.8115369 89503 303614615 604614 a-Alanine, conf. II
344483.0719 6.9120 -3.4969 3 495.8115369 89503 303614616 604615 a-Alanine, conf. II
344526.7751 1.5598 -4.0317 3 203.1336249 89503 303412714 402615 a-Alanine, conf. II
344526.7751 1.5598 -4.0317 3 203.1336249 89503 303412715 402614 a-Alanine, conf. II
344671.2035 3.5392 -4.3343 3 387.3991375 89503 303621844 611943 a-Alanine, conf. II
344671.5454 3.5394 -2.9666 3 387.3991375 89503 303621944 611943 a-Alanine, conf. II
344672.0213 3.5397 -2.9666 3 387.3991375 89503 303621844 611843 a-Alanine, conf. II
344672.3632 3.5399 -4.3343 3 387.3991375 89503 303621944 611843 a-Alanine, conf. II
344711.3393 6.8335 -3.4589 3 489.3479369 89503 303614516 604515 a-Alanine, conf. II
344711.3393 6.8335 -3.4589 3 489.3479369 89503 303614517 604516 a-Alanine, conf. II
344750.7254 7.7908 -4.5544 3 340.5126345 89503 303572236 562135 a-Alanine, conf. II
344770.9885 5.8438 -4.5300 3 351.7909351 89503 303582237 572136 a-Alanine, conf. II
344772.6212 22.7158 -2.9321 3 425.0126435 89503 30372 468 71 467 a-Alanine, conf. II
344772.6212 22.7158 -4.0573 3 425.0126435 89503 30372 468 71 567 a-Alanine, conf. II
344772.6212 22.7158 -4.0573 3 425.0126435 89503 30372 568 71 467 a-Alanine, conf. II
344772.6212 22.7158 -2.9321 3 425.0126435 89503 30372 568 71 567 a-Alanine, conf. II
344890.4545 8.7906 -2.9127 3 344.1143345 89503 303572334 562333 a-Alanine, conf. II
344915.6627 4.5716 -2.9683 3 404.2445393 89503 303651451 641450 a-Alanine, conf. II
344915.6627 4.5716 -4.2243 3 404.2445393 89503 303651451 641550 a-Alanine, conf. II
344915.6627 4.5716 -4.2243 3 404.2445393 89503 303651551 641450 a-Alanine, conf. II
344915.6627 4.5716 -2.9683 3 404.2445393 89503 303651551 641550 a-Alanine, conf. II
344921.5320 3.3568 -4.4808 3 254.2002297 89503 303492129 482028 a-Alanine, conf. II
344944.4687 1.1166 -4.1951 3 156.2434237 89503 303391624 381425 a-Alanine, conf. II
344956.9425 6.7618 -3.4229 3 483.0364369 89503 303614417 604416 a-Alanine, conf. II
344956.9425 6.7618 -3.4229 3 483.0364369 89503 303614418 604417 a-Alanine, conf. II
344958.2591 3.3435 -2.9045 3 342.3800345 89503 303572235 562234 a-Alanine, conf. II
344974.2781 1.2360 -4.4716 3 123.1566201 89503 303332013 321814 a-Alanine, conf. II
344975.2028 1.2359 -4.4716 3 123.1566201 89503 303332014 321815 a-Alanine, conf. II
345105.8422 1.9827 -4.4302 3 244.5988291 89503 303482128 472027 a-Alanine, conf. II
345125.9230 6.2258 -3.0805 3 403.9487363 89503 303603130 593129 a-Alanine, conf. II
345125.9669 6.2260 -3.0805 3 403.9487363 89503 303603129 593128 a-Alanine, conf. II
345143.5816 19.7843 -4.7324 3 392.0562369 89503 303612338 602437 a-Alanine, conf. II
345205.6391 6.6763 -2.9843 3 374.4266357 89503 303592634 582633 a-Alanine, conf. II
345217.1893 2.8888 -3.9280 3 196.8458231 89503 3033831 7 3730 8 a-Alanine, conf. II
345217.1893 2.8888 -3.9280 3 196.8458231 89503 3033831 8 3730 7 a-Alanine, conf. II
345221.7327 6.6974 -3.3888 3 476.8779369 89503 303614318 604317 a-Alanine, conf. II
345221.7327 6.6974 -3.3888 3 476.8779369 89503 303614319 604318 a-Alanine, conf. II
345275.6954 9.2978 -4.6074 3 377.5704363 89503 303602238 592337 a-Alanine, conf. II
345277.8206 12.1686 -2.9478 3 422.1483423 89503 30370 763 69 762 a-Alanine, conf. II
345277.8206 12.1686 -4.1012 3 422.1483423 89503 30370 763 69 862 a-Alanine, conf. II
345277.8206 12.1686 -4.1012 3 422.1483423 89503 30370 863 69 762 a-Alanine, conf. II
345277.8206 12.1686 -2.9478 3 422.1483423 89503 30370 863 69 862 a-Alanine, conf. II
345284.4344 0.8386 -4.3022 3 144.6670231 89503 303381325 371126 a-Alanine, conf. II
345489.5852 47.0916 -2.9084 3 429.7340453 89503 30375 075 74 074 a-Alanine, conf. II
345489.5852 47.0916 -4.0039 3 429.7340453 89503 30375 075 74 174 a-Alanine, conf. II
345489.5852 47.0916 -4.0039 3 429.7340453 89503 30375 175 74 074 a-Alanine, conf. II
345489.5852 47.0916 -2.9084 3 429.7340453 89503 30375 175 74 174 a-Alanine, conf. II
345507.8423 6.6407 -3.3562 3 470.8735369 89503 303614219 604218 a-Alanine, conf. II
345507.8423 6.6407 -3.3562 3 470.8735369 89503 303614220 604219 a-Alanine, conf. II
345613.5893 1.3219 -4.0656 3 207.3852255 89503 303422617 412516 a-Alanine, conf. II
345613.5895 1.3219 -4.0656 3 207.3852255 89503 303422616 412517 a-Alanine, conf. II
345638.0846 4.7662 -3.8482 3 194.8691213 89503 3033535 0 3434 1 a-Alanine, conf. II
345638.0846 4.7662 -3.8482 3 194.8691213 89503 3033535 1 3434 0 a-Alanine, conf. II
345650.5509 0.3150 -4.5057 3 123.9188219 89503 303361026 35 827 a-Alanine, conf. II
345664.3379 0.3155 -4.5057 3 123.9188219 89503 303361126 35 927 a-Alanine, conf. II
345738.4882 3.9387 -4.3005 3 394.8454381 89503 303631746 621845 a-Alanine, conf. II
345738.4998 3.9387 -2.9696 3 394.8454381 89503 303631846 621845 a-Alanine, conf. II
345738.5174 3.9387 -2.9696 3 394.8454381 89503 303631746 621745 a-Alanine, conf. II
345738.5291 3.9387 -4.3005 3 394.8454381 89503 303631846 621745 a-Alanine, conf. II
345743.6857 6.6385 -2.9600 3 417.4000411 89503 303681058 671057 a-Alanine, conf. II
345743.6857 6.6385 -4.1491 3 417.4000411 89503 303681058 671157 a-Alanine, conf. II
345743.6857 6.6385 -4.1491 3 417.4000411 89503 303681158 671057 a-Alanine, conf. II
345743.6857 6.6385 -2.9600 3 417.4000411 89503 303681158 671157 a-Alanine, conf. II
345815.7292 3.3516 -2.9479 3 366.0352357 89503 303592337 582336 a-Alanine, conf. II
345817.7444 6.5923 -3.3252 3 465.0241369 89503 303614120 604119 a-Alanine, conf. II
345817.7444 6.5923 -3.3252 3 465.0241369 89503 303614121 604120 a-Alanine, conf. II
345887.9096 7.8684 -2.9825 3 374.4474357 89503 303592633 582632 a-Alanine, conf. II
345893.8536 0.8243 -4.2191 3 152.6971231 89503 303381821 371622 a-Alanine, conf. II
345957.9043 1.4199 -4.2491 3 154.0824237 89503 303391425 381226 a-Alanine, conf. II
346063.5654 6.3824 -3.0598 3 399.9273363 89503 303603031 593030 a-Alanine, conf. II
346064.0303 6.3838 -3.0598 3 399.9273363 89503 303603030 593029 a-Alanine, conf. II
346101.2546 28.1889 -2.9282 3 429.3665441 89503 30373 370 72 369 a-Alanine, conf. II
346101.2546 28.1889 -4.0452 3 429.3665441 89503 30373 370 72 469 a-Alanine, conf. II
346101.2546 28.1889 -4.0452 3 429.3665441 89503 30373 470 72 369 a-Alanine, conf. II
346101.2546 28.1889 -2.9282 3 429.3665441 89503 30373 470 72 469 a-Alanine, conf. II
346112.9891 3.2969 -4.4963 3 374.7217363 89503 303602139 592238 a-Alanine, conf. II
346154.3278 6.5527 -3.2956 3 459.3309369 89503 303614021 604020 a-Alanine, conf. II
346154.3278 6.5527 -3.2956 3 459.3309369 89503 303614022 604021 a-Alanine, conf. II
346238.8453 4.8993 -2.9683 3 410.7274399 89503 303661353 651352 a-Alanine, conf. II
346238.8453 4.8993 -4.2040 3 410.7274399 89503 303661353 651452 a-Alanine, conf. II
346238.8453 4.8993 -4.2040 3 410.7274399 89503 303661453 651352 a-Alanine, conf. II
346238.8453 4.8993 -2.9683 3 410.7274399 89503 303661453 651452 a-Alanine, conf. II
346304.7875 0.4286 -4.6881 3 112.3673213 89503 30335 827 34 628 a-Alanine, conf. II
346304.9777 0.4286 -4.6881 3 112.3673213 89503 30335 927 34 728 a-Alanine, conf. II
346350.1781 4.3238 -4.5073 3 363.1687357 89503 303592238 582137 a-Alanine, conf. II
346483.0304 2.4871 -3.9521 3 199.8158237 89503 3033930 9 382910 a-Alanine, conf. II
346483.0304 2.4871 -3.9521 3 199.8158237 89503 303393010 3829 9 a-Alanine, conf. II
346520.9958 6.5229 -3.2673 3 453.7955369 89503 303613922 603921 a-Alanine, conf. II
346520.9958 6.5229 -3.2673 3 453.7955369 89503 303613923 603922 a-Alanine, conf. II
346527.8190 9.4705 -4.5763 3 329.3319339 89503 303562235 552134 a-Alanine, conf. II
346582.6908 1.1506 -4.1041 3 212.0343261 89503 303432519 422418 a-Alanine, conf. II
346582.7048 1.1506 -4.1041 3 212.0343261 89503 303432518 422419 a-Alanine, conf. II
346631.2858 15.5360 -2.9450 3 427.1317429 89503 30371 665 70 664 a-Alanine, conf. II
346631.2858 15.5360 -4.0880 3 427.1317429 89503 30371 665 70 764 a-Alanine, conf. II
346631.2858 15.5360 -4.0880 3 427.1317429 89503 30371 765 70 664 a-Alanine, conf. II
346631.2858 15.5360 -2.9450 3 427.1317429 89503 30371 765 70 764 a-Alanine, conf. II
346746.9734 6.3212 -2.9664 3 371.4616357 89503 303592535 582534 a-Alanine, conf. II
346918.3252 4.3060 -4.2721 3 402.0431387 89503 303641648 631747 a-Alanine, conf. II
346918.3256 4.3060 -2.9716 3 402.0431387 89503 303641748 631747 a-Alanine, conf. II
346918.3261 4.3060 -2.9716 3 402.0431387 89503 303641648 631647 a-Alanine, conf. II
346918.3264 4.3060 -4.2721 3 402.0431387 89503 303641748 631647 a-Alanine, conf. II
346921.7961 6.5039 -3.2402 3 448.4193369 89503 303613823 603822 a-Alanine, conf. II
346921.7961 6.5039 -3.2402 3 448.4193369 89503 303613824 603823 a-Alanine, conf. II
346944.1492 4.2270 -3.8673 3 196.6318219 89503 3033634 2 3533 3 a-Alanine, conf. II
346944.1492 4.2270 -3.8673 3 196.6318219 89503 3033634 3 3533 2 a-Alanine, conf. II
346989.8730 0.7488 -4.2993 3 144.6691231 89503 303381425 371226 a-Alanine, conf. II
347107.2553 8.2215 -2.9583 3 423.0196417 89503 30369 960 68 959 a-Alanine, conf. II
347107.2553 8.2215 -4.1340 3 423.0196417 89503 30369 960 681059 a-Alanine, conf. II
347107.2553 8.2215 -4.1340 3 423.0196417 89503 303691060 68 959 a-Alanine, conf. II
347107.2553 8.2215 -2.9583 3 423.0196417 89503 303691060 681059 a-Alanine, conf. II
347107.2746 2.7662 -2.9538 3 374.7217363 89503 303602239 592238 a-Alanine, conf. II
347164.5982 6.6045 -3.0396 3 396.1022363 89503 303602932 592931 a-Alanine, conf. II
347168.9235 6.6160 -3.0396 3 396.1023363 89503 303602931 592930 a-Alanine, conf. II
347242.8917 4.9843 -2.9533 3 368.7036357 89503 303592436 582435 a-Alanine, conf. II
347361.5962 6.4973 -3.2141 3 443.2044369 89503 303613724 603723 a-Alanine, conf. II
347361.5962 6.4973 -3.2141 3 443.2044369 89503 303613725 603724 a-Alanine, conf. II
347367.6601 1.0629 -4.1490 3 217.1003267 89503 303442421 432320 a-Alanine, conf. II
347368.2826 1.0630 -4.1490 3 217.1002267 89503 303442420 432321 a-Alanine, conf. II
347418.3387 34.5799 -2.9242 3 433.5257447 89503 30374 272 73 271 a-Alanine, conf. II
347418.3387 34.5799 -4.0335 3 433.5257447 89503 30374 272 73 371 a-Alanine, conf. II
347418.3387 34.5799 -4.0335 3 433.5257447 89503 30374 372 73 271 a-Alanine, conf. II
347418.3387 34.5799 -2.9242 3 433.5257447 89503 30374 372 73 371 a-Alanine, conf. II
347484.2499 3.0421 -4.4197 3 383.1033369 89503 303612041 602140 a-Alanine, conf. II
347552.5773 3.0579 -2.9616 3 383.1033369 89503 303612141 602140 a-Alanine, conf. II
347557.2814 1.0871 -4.2743 3 228.6191279 89503 303462225 452124 a-Alanine, conf. II
347562.9428 10.8987 -2.9353 3 357.6138351 89503 303582434 572433 a-Alanine, conf. II
347582.2075 5.3605 -2.9679 3 417.0004405 89503 303671255 661254 a-Alanine, conf. II
347582.2075 5.3605 -4.1856 3 417.0004405 89503 303671255 661354 a-Alanine, conf. II
347582.2075 5.3605 -4.1856 3 417.0004405 89503 303671355 661254 a-Alanine, conf. II
347582.2075 5.3605 -2.9679 3 417.0004405 89503 303671355 661354 a-Alanine, conf. II
347591.1862 4.6573 -4.8044 3 191.6809261 89503 303431726 421627 a-Alanine, conf. II
347630.8275 3.0766 -2.9614 3 383.0984369 89503 303612041 602040 a-Alanine, conf. II
347699.1549 3.1007 -4.4191 3 383.0984369 89503 303612141 602040 a-Alanine, conf. II
347721.1518 2.1220 -3.9783 3 203.1475243 89503 303402911 392812 a-Alanine, conf. II
347721.1518 2.1220 -3.9783 3 203.1475243 89503 303402912 392811 a-Alanine, conf. II
347839.4719 1.0634 -4.2033 3 222.6116273 89503 303452323 442222 a-Alanine, conf. II
347846.3241 6.5047 -3.1891 3 438.1528369 89503 303613625 603624 a-Alanine, conf. II
347846.3241 6.5047 -3.1891 3 438.1528369 89503 303613626 603625 a-Alanine, conf. II
347859.0371 1.0671 -4.2033 3 222.6110273 89503 303452322 442223 a-Alanine, conf. II
347976.4487 19.6581 -2.9419 3 431.9198435 89503 30372 567 71 566 a-Alanine, conf. II
347976.4487 19.6581 -4.0754 3 431.9198435 89503 30372 567 71 666 a-Alanine, conf. II
347976.4487 19.6581 -4.0754 3 431.9198435 89503 30372 667 71 566 a-Alanine, conf. II
347976.4487 19.6581 -2.9419 3 431.9198435 89503 30372 667 71 666 a-Alanine, conf. II
347980.5895 1.1887 -4.2734 3 228.6082279 89503 303462224 452125 a-Alanine, conf. II
348057.2652 2.8386 -2.9511 3 374.6569363 89503 303602139 592138 a-Alanine, conf. II
348126.1285 9.0962 -4.5579 3 613.3978375 89503 3036260 2 6160 1 a-Alanine, conf. II
348126.1285 9.0962 -4.5579 3 613.3978375 89503 3036260 3 6160 2 a-Alanine, conf. II
348169.3561 4.6343 -2.9730 3 409.0076393 89503 303651550 641549 a-Alanine, conf. II
348169.3561 4.6343 -4.2476 3 409.0076393 89503 303651550 641649 a-Alanine, conf. II
348169.3561 4.6343 -4.2476 3 409.0076393 89503 303651650 641549 a-Alanine, conf. II
348169.3561 4.6343 -2.9730 3 409.0076393 89503 303651650 641649 a-Alanine, conf. II
348198.4389 1.9561 -4.7059 3 110.6999183 89503 3033022 8 2920 9 a-Alanine, conf. II
348198.4390 1.9561 -4.7059 3 110.6999183 89503 3033022 9 292010 a-Alanine, conf. II
348223.4029 3.4558 -4.3693 3 391.1485375 89503 303621943 612042 a-Alanine, conf. II
348225.4983 8.9399 -4.3674 3 604.8595375 89503 3036259 3 6159 2 a-Alanine, conf. II
348225.4983 8.9399 -4.3674 3 604.8595375 89503 3036259 4 6159 3 a-Alanine, conf. II
348226.9074 3.4576 -2.9675 3 391.1485375 89503 303622043 612042 a-Alanine, conf. II
348231.4381 3.4596 -2.9675 3 391.1482375 89503 303621943 611942 a-Alanine, conf. II
348234.9425 3.4614 -4.3693 3 391.1482375 89503 303622043 611942 a-Alanine, conf. II
348244.5527 3.7230 -3.8875 3 198.7411225 89503 3033733 4 3632 5 a-Alanine, conf. II
348244.5527 3.7230 -3.8875 3 198.7411225 89503 3033733 5 3632 4 a-Alanine, conf. II
348325.6689 0.9651 -4.3202 3 140.5082219 89503 303361917 351718 a-Alanine, conf. II
348330.6815 8.7890 -4.2283 3 596.4677375 89503 3036258 4 6158 3 a-Alanine, conf. II
348330.6815 8.7890 -4.2283 3 596.4677375 89503 3036258 5 6158 4 a-Alanine, conf. II
348383.3093 6.5289 -3.1651 3 433.2674369 89503 303613526 603525 a-Alanine, conf. II
348383.3093 6.5289 -3.1651 3 433.2674369 89503 303613527 603526 a-Alanine, conf. II
348442.0939 8.6435 -4.1176 3 588.2226375 89503 3036257 5 6157 4 a-Alanine, conf. II
348442.0939 8.6435 -4.1176 3 588.2226375 89503 3036257 6 6157 5 a-Alanine, conf. II
348468.8713 10.4240 -2.9563 3 428.4410423 89503 30370 862 69 861 a-Alanine, conf. II
348468.8713 10.4240 -4.1198 3 428.4410423 89503 30370 862 69 961 a-Alanine, conf. II
348468.8713 10.4240 -4.1198 3 428.4410423 89503 30370 962 69 861 a-Alanine, conf. II
348468.8713 10.4240 -2.9563 3 428.4410423 89503 30370 962 69 961 a-Alanine, conf. II
348479.5898 6.9077 -3.0198 3 392.4855363 89503 303602833 592832 a-Alanine, conf. II
348514.4998 6.9906 -3.0197 3 392.4863363 89503 303602832 592831 a-Alanine, conf. II
348545.4882 0.9558 -4.3198 3 140.5006219 89503 303361918 351719 a-Alanine, conf. II
348560.1918 8.5035 -4.0249 3 580.1244375 89503 3036256 6 6156 5 a-Alanine, conf. II
348560.1918 8.5035 -4.0249 3 580.1244375 89503 3036256 7 6156 6 a-Alanine, conf. II
348685.4766 8.3689 -3.9448 3 572.1736375 89503 3036255 7 6155 6 a-Alanine, conf. II
348685.4766 8.3689 -3.9448 3 572.1736375 89503 3036255 8 6155 7 a-Alanine, conf. II
348723.1615 41.9676 -2.9199 3 437.4898453 89503 30375 174 74 173 a-Alanine, conf. II
348723.1615 41.9676 -4.0221 3 437.4898453 89503 30375 174 74 273 a-Alanine, conf. II
348723.1615 41.9676 -4.0221 3 437.4898453 89503 30375 274 74 173 a-Alanine, conf. II
348723.1615 41.9676 -2.9199 3 437.4898453 89503 30375 274 74 273 a-Alanine, conf. II
348790.9598 2.3129 -2.9145 3 353.8866351 89503 303582236 572235 a-Alanine, conf. II
348818.5006 8.2400 -3.8739 3 564.3702375 89503 3036254 8 6154 7 a-Alanine, conf. II
348818.5006 8.2400 -3.8739 3 564.3702375 89503 3036254 9 6154 8 a-Alanine, conf. II
348918.3392 1.7975 -4.0068 3 206.8475249 89503 303412813 402714 a-Alanine, conf. II
348918.3392 1.7975 -4.0068 3 206.8475249 89503 303412814 402713 a-Alanine, conf. II
348937.1870 6.1007 -2.9671 3 423.0677411 89503 303681157 671156 a-Alanine, conf. II
348937.1870 6.1007 -4.1687 3 423.0677411 89503 303681157 671256 a-Alanine, conf. II
348937.1870 6.1007 -4.1687 3 423.0677411 89503 303681257 671156 a-Alanine, conf. II
348937.1870 6.1007 -2.9671 3 423.0677411 89503 303681257 671256 a-Alanine, conf. II
348959.8738 8.1167 -3.8103 3 556.7148375 89503 3036253 9 6153 8 a-Alanine, conf. II
348959.8738 8.1167 -3.8103 3 556.7148375 89503 303625310 6153 9 a-Alanine, conf. II
348981.7777 6.5732 -3.1419 3 428.5511369 89503 303613427 603426 a-Alanine, conf. II
348981.7777 6.5732 -3.1419 3 428.5511369 89503 303613428 603427 a-Alanine, conf. II
349051.5506 3.5267 -4.4878 3 374.6569363 89503 303602239 592138 a-Alanine, conf. II
349110.2718 7.9991 -3.7523 3 549.2076375 89503 303625210 6152 9 a-Alanine, conf. II
349110.2718 7.9991 -3.7523 3 549.2076375 89503 303625211 615210 a-Alanine, conf. II
349160.2833 3.8838 -4.3306 3 398.8961381 89503 303631845 621944 a-Alanine, conf. II
349160.4246 3.8839 -2.9718 3 398.8961381 89503 303631945 621944 a-Alanine, conf. II
349160.6251 3.8840 -2.9718 3 398.8961381 89503 303631845 621844 a-Alanine, conf. II
349160.7664 3.8841 -4.3306 3 398.8961381 89503 303631945 621844 a-Alanine, conf. II
349270.4444 7.8874 -3.6990 3 541.8490375 89503 303625111 615110 a-Alanine, conf. II
349270.4444 7.8874 -3.6990 3 541.8490375 89503 303625112 615111 a-Alanine, conf. II
349311.9307 24.5960 -2.9386 3 436.5130441 89503 30373 469 72 468 a-Alanine, conf. II
349311.9307 24.5960 -4.0633 3 436.5130441 89503 30373 469 72 568 a-Alanine, conf. II
349311.9307 24.5960 -4.0633 3 436.5130441 89503 30373 569 72 468 a-Alanine, conf. II
349311.9307 24.5960 -2.9386 3 436.5130441 89503 30373 569 72 568 a-Alanine, conf. II
349320.8155 2.0957 -4.3764 3 235.1277285 89503 303472126 462027 a-Alanine, conf. II
349441.2270 7.7817 -3.6496 3 534.6395375 89503 303625012 615011 a-Alanine, conf. II
349441.2270 7.7817 -3.6496 3 534.6395375 89503 303625013 615012 a-Alanine, conf. II
349448.3274 1.5440 -4.5545 3 119.5757195 89503 303322111 311912 a-Alanine, conf. II
349448.3436 1.5440 -4.5545 3 119.5757195 89503 303322112 311913 a-Alanine, conf. II
349466.1639 4.9460 -2.9738 3 415.7496399 89503 303661452 651451 a-Alanine, conf. II
349466.1639 4.9460 -4.2259 3 415.7496399 89503 303661452 651551 a-Alanine, conf. II
349466.1639 4.9460 -4.2259 3 415.7496399 89503 303661552 651451 a-Alanine, conf. II
349466.1639 4.9460 -2.9738 3 415.7496399 89503 303661552 651551 a-Alanine, conf. II
349535.5818 3.2537 -3.9090 3 201.2001231 89503 3033832 6 3731 7 a-Alanine, conf. II
349535.5818 3.2537 -3.9090 3 201.2001231 89503 3033832 7 3731 6 a-Alanine, conf. II
349623.5528 7.6820 -3.6036 3 527.5795375 89503 303624913 614912 a-Alanine, conf. II
349623.5528 7.6820 -3.6036 3 527.5795375 89503 303624914 614913 a-Alanine, conf. II
349653.5973 6.6425 -3.1195 3 424.0079369 89503 303613329 603328 a-Alanine, conf. II
349653.5982 6.6425 -3.1195 3 424.0079369 89503 303613328 603327 a-Alanine, conf. II
349802.5634 1.2021 -4.4295 3 129.4848207 89503 303342014 331815 a-Alanine, conf. II
349805.4369 1.2020 -4.4295 3 129.4847207 89503 303342015 331816 a-Alanine, conf. II
349818.4683 7.5887 -3.5605 3 520.6696375 89503 303624814 614813 a-Alanine, conf. II
349818.4683 7.5887 -3.5605 3 520.6696375 89503 303624815 614814 a-Alanine, conf. II
349825.7639 13.3079 -2.9540 3 433.6656429 89503 30371 764 70 763 a-Alanine, conf. II
349825.7639 13.3079 -4.1064 3 433.6656429 89503 30371 764 70 863 a-Alanine, conf. II
349825.7639 13.3079 -4.1064 3 433.6656429 89503 30371 864 70 763 a-Alanine, conf. II
349825.7639 13.3079 -2.9540 3 433.6656429 89503 30371 864 70 863 a-Alanine, conf. II
349885.1325 10.1672 -4.5875 3 318.2641333 89503 303552234 542133 a-Alanine, conf. II
349891.0909 10.6217 -2.9579 3 371.5814357 89503 303592534 582533 a-Alanine, conf. II
350015.1650 50.4365 -2.9154 3 441.2583459 89503 30376 076 75 075 a-Alanine, conf. II
350015.1650 50.4365 -4.0110 3 441.2583459 89503 30376 076 75 175 a-Alanine, conf. II
350015.1650 50.4365 -4.0110 3 441.2583459 89503 30376 176 75 075 a-Alanine, conf. II
350015.1650 50.4365 -2.9154 3 441.2583459 89503 30376 176 75 175 a-Alanine, conf. II
350027.1512 7.5018 -3.5199 3 513.9103375 89503 303624715 614714 a-Alanine, conf. II
350027.1512 7.5018 -3.5199 3 513.9103375 89503 303624716 614715 a-Alanine, conf. II
350048.1012 7.2445 -3.0002 3 389.0931363 89503 303602734 592733 a-Alanine, conf. II
350055.1864 1.5208 -4.0383 3 210.9245255 89503 303422715 412616 a-Alanine, conf. II
350055.1864 1.5208 -4.0383 3 210.9245255 89503 303422716 412615 a-Alanine, conf. II
350250.9329 7.4216 -3.4816 3 507.3023375 89503 303624616 614615 a-Alanine, conf. II
350250.9329 7.4216 -3.4816 3 507.3023375 89503 303624617 614616 a-Alanine, conf. II
350256.5767 4.2987 -4.2990 3 406.3780387 89503 303641747 631846 a-Alanine, conf. II
350256.5813 4.2987 -2.9750 3 406.3780387 89503 303641847 631846 a-Alanine, conf. II
350256.5883 4.2987 -2.9750 3 406.3780387 89503 303641747 631746 a-Alanine, conf. II
350256.5929 4.2987 -4.2990 3 406.3780387 89503 303641847 631746 a-Alanine, conf. II
350286.9269 7.7443 -2.9996 3 389.0997363 89503 303602733 592732 a-Alanine, conf. II
350297.6217 7.2778 -2.9660 3 428.9328417 89503 303691059 681058 a-Alanine, conf. II
350297.6217 7.2778 -4.1532 3 428.9328417 89503 303691059 681158 a-Alanine, conf. II
350297.6217 7.2778 -4.1532 3 428.9328417 89503 303691159 681058 a-Alanine, conf. II
350297.6217 7.2778 -2.9660 3 428.9328417 89503 303691159 681158 a-Alanine, conf. II
350314.2875 0.3594 -4.4302 3 132.9818225 89503 303371126 36 927 a-Alanine, conf. II
350374.9811 0.3605 -4.4300 3 132.9818225 89503 303371226 361027 a-Alanine, conf. II
350414.4479 6.7440 -3.0979 3 419.6425369 89503 303613230 603229 a-Alanine, conf. II
350414.4585 6.7440 -3.0979 3 419.6425369 89503 303613229 603228 a-Alanine, conf. II
350491.3246 7.3483 -3.4452 3 500.8462375 89503 303624517 614516 a-Alanine, conf. II
350491.3246 7.3483 -3.4452 3 500.8462375 89503 303624518 614517 a-Alanine, conf. II
350510.5164 0.8725 -4.1896 3 160.1268237 89503 303391822 381623 a-Alanine, conf. II
350636.6444 30.4179 -2.9351 3 440.9112447 89503 30374 371 73 370 a-Alanine, conf. II
350636.6444 30.4179 -4.0516 3 440.9112447 89503 30374 371 73 470 a-Alanine, conf. II
350636.6444 30.4179 -4.0516 3 440.9112447 89503 30374 471 73 370 a-Alanine, conf. II
350636.6444 30.4179 -2.9351 3 440.9112447 89503 30374 471 73 470 a-Alanine, conf. II
350655.6777 3.2210 -2.9520 3 377.5704363 89503 303602338 592337 a-Alanine, conf. II
350750.0511 7.2825 -3.4107 3 494.5429375 89503 303624418 614417 a-Alanine, conf. II
350750.0511 7.2825 -3.4107 3 494.5429375 89503 303624419 614418 a-Alanine, conf. II
350792.2610 5.3048 -2.9740 3 422.2767405 89503 303671354 661353 a-Alanine, conf. II
350792.2610 5.3048 -4.2065 3 422.2767405 89503 303671354 661453 a-Alanine, conf. II
350792.2610 5.3048 -4.2065 3 422.2767405 89503 303671454 661353 a-Alanine, conf. II
350792.2610 5.3048 -2.9740 3 422.2767405 89503 303671454 661453 a-Alanine, conf. II
350805.8071 1.0578 -4.2435 3 154.0905237 89503 303391525 381326 a-Alanine, conf. II
350812.0288 2.8195 -3.9320 3 204.0128237 89503 3033931 8 3830 9 a-Alanine, conf. II
350812.0288 2.8195 -3.9320 3 204.0128237 89503 3033931 9 3830 8 a-Alanine, conf. II
350980.6647 3.1383 -4.4757 3 386.3000369 89503 303612140 602239 a-Alanine, conf. II
351029.0913 7.2243 -3.3779 3 488.3933375 89503 303624319 614318 a-Alanine, conf. II
351029.0913 7.2243 -3.3779 3 488.3933375 89503 303624320 614319 a-Alanine, conf. II
351102.3253 1.3045 -4.0735 3 215.3900261 89503 303432618 422517 a-Alanine, conf. II
351102.3262 1.3045 -4.0735 3 215.3900261 89503 303432617 422518 a-Alanine, conf. II
351175.7943 16.9262 -2.9515 3 438.6941435 89503 30372 666 71 665 a-Alanine, conf. II
351175.7943 16.9262 -4.0937 3 438.6941435 89503 30372 666 71 765 a-Alanine, conf. II
351175.7943 16.9262 -4.0937 3 438.6941435 89503 30372 766 71 665 a-Alanine, conf. II
351175.7943 16.9262 -2.9515 3 438.6941435 89503 30372 766 71 765 a-Alanine, conf. II
351250.4659 4.6883 -3.8510 3 201.4414219 89503 3033635 1 3534 2 a-Alanine, conf. II
351250.4659 4.6883 -3.8510 3 201.4414219 89503 3033635 2 3534 1 a-Alanine, conf. II
351285.7298 6.8882 -3.0770 3 415.4609369 89503 303613131 603130 a-Alanine, conf. II
351285.8487 6.8886 -3.0770 3 415.4609369 89503 303613130 603129 a-Alanine, conf. II
351330.7300 7.1745 -3.3465 3 482.3984375 89503 303624220 614219 a-Alanine, conf. II
351330.7300 7.1745 -3.3465 3 482.3984375 89503 303624221 614220 a-Alanine, conf. II
351453.2244 4.6763 -4.2722 3 413.6151393 89503 303651649 641748 a-Alanine, conf. II
351453.2245 4.6763 -2.9772 3 413.6151393 89503 303651749 641748 a-Alanine, conf. II
351453.2247 4.6763 -2.9772 3 413.6151393 89503 303651649 641648 a-Alanine, conf. II
351453.2248 4.6763 -4.2722 3 413.6151393 89503 303651749 641648 a-Alanine, conf. II
351474.8127 3.0122 -2.9597 3 386.3000369 89503 303612240 602239 a-Alanine, conf. II
351626.3808 0.5376 -4.8000 3 109.5200213 89503 30335 728 34 529 a-Alanine, conf. II
351626.3912 0.5376 -4.8000 3 109.5200213 89503 30335 828 34 629 a-Alanine, conf. II
351657.6231 7.1335 -3.3166 3 476.5593375 89503 303624121 614120 a-Alanine, conf. II
351657.6231 7.1335 -3.3166 3 476.5593375 89503 303624122 614121 a-Alanine, conf. II
351658.9655 9.0213 -2.9646 3 434.5978423 89503 30370 961 69 960 a-Alanine, conf. II
351658.9655 9.0213 -4.1387 3 434.5978423 89503 30370 961 691060 a-Alanine, conf. II
351658.9655 9.0213 -4.1387 3 434.5978423 89503 303701061 69 960 a-Alanine, conf. II
351658.9655 9.0213 -2.9646 3 434.5978423 89503 303701061 691060 a-Alanine, conf. II
351693.0990 4.0307 -4.0635 3 191.5441261 89503 303431726 421527 a-Alanine, conf. II
351741.5923 0.3821 -4.5907 3 121.2490219 89503 30336 927 35 728 a-Alanine, conf. II
351742.6871 0.3822 -4.5907 3 121.2490219 89503 303361027 35 828 a-Alanine, conf. II
351749.4779 4.6794 -4.5082 3 232.8657285 89503 303472027 461928 a-Alanine, conf. II
351752.6586 3.2940 -3.9841 3 201.8192267 89503 303441826 431627 a-Alanine, conf. II
351760.5463 7.3176 -2.9813 3 385.9415363 89503 303602635 592634 a-Alanine, conf. II
351819.5097 2.3728 -4.8271 3 108.1052177 89503 3032923 6 2821 7 a-Alanine, conf. II
351819.5097 2.3728 -4.8271 3 108.1052177 89503 3032923 7 2821 8 a-Alanine, conf. II
351835.5406 2.6942 -2.9270 3 365.5210357 89503 303592237 582236 a-Alanine, conf. II
351902.2638 3.3609 -4.4100 3 394.6964375 89503 303622042 612141 a-Alanine, conf. II
351933.5408 3.3716 -2.9675 3 394.6964375 89503 303622142 612141 a-Alanine, conf. II
351949.7305 37.1988 -2.9313 3 445.1143453 89503 30375 273 74 272 a-Alanine, conf. II
351949.7305 37.1988 -4.0403 3 445.1143453 89503 30375 273 74 372 a-Alanine, conf. II
351949.7305 37.1988 -4.0403 3 445.1143453 89503 30375 373 74 272 a-Alanine, conf. II
351949.7305 37.1988 -2.9313 3 445.1143453 89503 30375 373 74 372 a-Alanine, conf. II
351970.5912 3.3831 -2.9674 3 394.6941375 89503 303622042 612041 a-Alanine, conf. II
351974.9501 3.0684 -2.9583 3 386.2668369 89503 303612140 602139 a-Alanine, conf. II
351979.2989 7.5738 -2.9075 3 355.6186351 89503 303582335 572334 a-Alanine, conf. II
352001.8682 3.3957 -4.4097 3 394.6941375 89503 303622142 612041 a-Alanine, conf. II
352012.8825 7.1023 -3.2879 3 470.8774375 89503 303624022 614021 a-Alanine, conf. II
352012.8825 7.1023 -3.2879 3 470.8774375 89503 303624023 614022 a-Alanine, conf. II
352013.2884 1.1658 -4.1138 3 220.2593267 89503 303442520 432419 a-Alanine, conf. II
352013.3341 1.1658 -4.1138 3 220.2593267 89503 303442519 432420 a-Alanine, conf. II
352066.5654 2.4216 -3.9568 3 207.1838243 89503 303403010 392911 a-Alanine, conf. II
352066.5654 2.4216 -3.9568 3 207.1838243 89503 303403011 392910 a-Alanine, conf. II
352136.4392 5.8243 -2.9739 3 428.5945411 89503 303681256 671255 a-Alanine, conf. II
352136.4392 5.8243 -4.1890 3 428.5945411 89503 303681256 671355 a-Alanine, conf. II
352136.4392 5.8243 -4.1890 3 428.5945411 89503 303681356 671255 a-Alanine, conf. II
352136.4392 5.8243 -2.9739 3 428.5945411 89503 303681356 671355 a-Alanine, conf. II
352145.6367 1.2126 -4.1618 3 165.7922243 89503 303401724 391525 a-Alanine, conf. II
352192.8773 0.9712 -4.2860 3 147.5039225 89503 303371918 361719 a-Alanine, conf. II
352194.1568 1.1365 -4.2980 3 237.5844285 89503 303472226 462125 a-Alanine, conf. II
352297.6829 7.0916 -3.0566 3 411.4708369 89503 303613032 603031 a-Alanine, conf. II
352298.8675 7.0952 -3.0566 3 411.4708369 89503 303613031 603030 a-Alanine, conf. II
352346.4236 6.4585 -4.5624 3 389.2670369 89503 303612239 602338 a-Alanine, conf. II
352392.8202 6.0132 -4.6303 3 221.6739279 89503 303461927 451828 a-Alanine, conf. II
352400.1860 7.0819 -3.2604 3 465.3542375 89503 303623923 613922 a-Alanine, conf. II
352400.1860 7.0819 -3.2604 3 465.3542375 89503 303623924 613923 a-Alanine, conf. II
352469.0981 3.3277 -4.4715 3 386.2668369 89503 303612240 602139 a-Alanine, conf. II
352517.2938 21.3353 -2.9487 3 443.5271441 89503 30373 568 72 567 a-Alanine, conf. II
352517.2938 21.3353 -4.0816 3 443.5271441 89503 30373 568 72 667 a-Alanine, conf. II
352517.2938 21.3353 -4.0816 3 443.5271441 89503 30373 668 72 567 a-Alanine, conf. II
352517.2938 21.3353 -2.9487 3 443.5271441 89503 30373 668 72 667 a-Alanine, conf. II
352553.7513 4.1501 -3.8704 3 203.3988225 89503 3033734 3 3633 4 a-Alanine, conf. II
352553.7513 4.1501 -3.8704 3 203.3988225 89503 3033734 4 3633 3 a-Alanine, conf. II
352676.7765 3.8013 -4.3641 3 402.7641381 89503 303631944 622043 a-Alanine, conf. II
352678.2842 3.8022 -2.9733 3 402.7641381 89503 303632044 622043 a-Alanine, conf. II
352680.2809 3.8032 -2.9733 3 402.7640381 89503 303631944 621943 a-Alanine, conf. II
352681.7887 3.8041 -4.3641 3 402.7640381 89503 303632044 621943 a-Alanine, conf. II
352708.7277 1.1192 -4.1611 3 225.5540273 89503 303452422 442321 a-Alanine, conf. II
352710.5368 1.1195 -4.1611 3 225.5540273 89503 303452421 442322 a-Alanine, conf. II
352713.9037 5.0148 -2.9788 3 420.6213399 89503 303661551 651550 a-Alanine, conf. II
352713.9037 5.0148 -4.2489 3 420.6213399 89503 303661551 651650 a-Alanine, conf. II
352713.9037 5.0148 -4.2489 3 420.6213399 89503 303661651 651550 a-Alanine, conf. II
352713.9037 5.0148 -2.9788 3 420.6213399 89503 303661651 651650 a-Alanine, conf. II
352714.4000 0.9498 -4.2850 3 147.4860225 89503 303371919 361720 a-Alanine, conf. II
352823.9250 7.0736 -3.2340 3 459.9914375 89503 303623824 613823 a-Alanine, conf. II
352823.9250 7.0736 -3.2340 3 459.9914375 89503 303623825 613824 a-Alanine, conf. II
352838.0122 28.9942 -4.8021 3 418.9543381 89503 303632439 622538 a-Alanine, conf. II
352850.3512 4.7416 -2.9546 3 380.2864363 89503 303602437 592436 a-Alanine, conf. II
353017.7968 11.4188 -2.9629 3 440.0647429 89503 30371 863 70 862 a-Alanine, conf. II
353017.7968 11.4188 -4.1251 3 440.0647429 89503 30371 863 70 962 a-Alanine, conf. II
353017.7968 11.4188 -4.1251 3 440.0647429 89503 30371 963 70 862 a-Alanine, conf. II
353017.7968 11.4188 -2.9629 3 440.0647429 89503 30371 963 70 962 a-Alanine, conf. II
353018.2442 1.1551 -4.2193 3 231.3072279 89503 303462324 452223 a-Alanine, conf. II
353041.5581 6.5107 -2.9649 3 383.0278363 89503 303602536 592535 a-Alanine, conf. II
353068.7317 1.1676 -4.2192 3 231.3058279 89503 303462323 452224 a-Alanine, conf. II
353079.5540 9.6486 -2.9779 3 385.9850363 89503 303602634 592633 a-Alanine, conf. II
353155.1548 1.3968 -4.2961 3 237.5600285 89503 303472225 462126 a-Alanine, conf. II
353250.5125 45.0199 -2.9273 3 449.1219459 89503 30376 175 75 174 a-Alanine, conf. II
353250.5125 45.0199 -4.0293 3 449.1219459 89503 30376 175 75 274 a-Alanine, conf. II
353250.5125 45.0199 -4.0293 3 449.1219459 89503 30376 275 75 174 a-Alanine, conf. II
353250.5125 45.0199 -2.9273 3 449.1219459 89503 30376 275 75 274 a-Alanine, conf. II
353288.7844 2.0629 -3.9837 3 210.7190249 89503 303412912 402813 a-Alanine, conf. II
353288.7844 2.0629 -3.9837 3 210.7190249 89503 303412913 402812 a-Alanine, conf. II
353289.4039 7.0792 -3.2087 3 454.7911375 89503 303623725 613724 a-Alanine, conf. II
353289.4039 7.0792 -3.2087 3 454.7911375 89503 303623726 613725 a-Alanine, conf. II
353460.6538 1.9057 -4.6477 3 116.3938189 89503 3033122 9 302010 a-Alanine, conf. II
353460.6539 1.9057 -4.6477 3 116.3938189 89503 303312210 302011 a-Alanine, conf. II
353490.7961 6.6595 -2.9734 3 434.7070417 89503 303691158 681157 a-Alanine, conf. II
353490.7961 6.6595 -4.1729 3 434.7070417 89503 303691158 681257 a-Alanine, conf. II
353490.7961 6.6595 -4.1729 3 434.7070417 89503 303691258 681157 a-Alanine, conf. II
353490.7961 6.6595 -2.9734 3 434.7070417 89503 303691258 681257 a-Alanine, conf. II
353493.4061 7.3754 -3.0367 3 407.6824369 89503 303612933 602932 a-Alanine, conf. II
353503.7535 7.4040 -3.0367 3 407.6826369 89503 303612932 602931 a-Alanine, conf. II
353656.1544 4.2511 -4.3281 3 410.5428387 89503 303641846 631945 a-Alanine, conf. II
353656.2122 4.2511 -2.9776 3 410.5428387 89503 303641946 631945 a-Alanine, conf. II
353656.2957 4.2512 -2.9776 3 410.5428387 89503 303641846 631845 a-Alanine, conf. II
353656.3534 4.2512 -4.3281 3 410.5428387 89503 303641946 631845 a-Alanine, conf. II
353691.5423 9.7539 -4.5865 3 633.6914381 89503 3036361 2 6261 1 a-Alanine, conf. II
353691.5423 9.7539 -4.5865 3 633.6914381 89503 3036361 3 6261 2 a-Alanine, conf. II
353790.3429 9.5948 -4.3956 3 625.0100381 89503 3036360 3 6260 2 a-Alanine, conf. II
353790.3429 9.5948 -4.3956 3 625.0100381 89503 3036360 4 6260 3 a-Alanine, conf. II
353803.1181 7.1010 -3.1843 3 449.7558375 89503 303623626 613625 a-Alanine, conf. II
353803.1181 7.1010 -3.1843 3 449.7558375 89503 303623627 613626 a-Alanine, conf. II
353848.9500 26.5981 -2.9457 3 448.1648447 89503 30374 470 73 469 a-Alanine, conf. II
353848.9500 26.5981 -4.0699 3 448.1648447 89503 30374 470 73 569 a-Alanine, conf. II
353848.9500 26.5981 -4.0699 3 448.1648447 89503 30374 570 73 469 a-Alanine, conf. II
353848.9500 26.5981 -2.9457 3 448.1648447 89503 30374 570 73 569 a-Alanine, conf. II
353849.8026 3.6474 -3.8910 3 205.7042231 89503 3033833 5 3732 6 a-Alanine, conf. II
353849.8026 3.6474 -3.8910 3 205.7042231 89503 3033833 6 3732 5 a-Alanine, conf. II
353894.8452 9.4411 -4.2562 3 616.4750381 89503 3036359 4 6259 3 a-Alanine, conf. II
353894.8452 9.4411 -4.2562 3 616.4750381 89503 3036359 5 6259 4 a-Alanine, conf. II
354005.4496 9.2930 -4.1451 3 608.0867381 89503 3036358 5 6258 4 a-Alanine, conf. II
354005.4496 9.2930 -4.1451 3 608.0867381 89503 3036358 6 6258 5 a-Alanine, conf. II
354015.9467 5.3445 -2.9798 3 427.4066405 89503 303671453 661452 a-Alanine, conf. II
354015.9467 5.3445 -4.2283 3 427.4066405 89503 303671453 661552 a-Alanine, conf. II
354015.9467 5.3445 -4.2283 3 427.4066405 89503 303671553 661452 a-Alanine, conf. II
354015.9467 5.3445 -2.9798 3 427.4066405 89503 303671553 661552 a-Alanine, conf. II
354117.7457 9.6004 -4.5799 3 307.3426327 89503 303542233 532132 a-Alanine, conf. II
354122.5943 9.1503 -4.0521 3 599.8454381 89503 3036357 6 6257 5 a-Alanine, conf. II
354122.5943 9.1503 -4.0521 3 599.8454381 89503 3036357 7 6257 6 a-Alanine, conf. II
354246.7605 9.0133 -3.9716 3 591.7512381 89503 3036356 7 6256 6 a-Alanine, conf. II
354246.7605 9.0133 -3.9716 3 591.7512381 89503 3036356 8 6256 7 a-Alanine, conf. II
354371.4982 14.5316 -2.9609 3 445.3345435 89503 30372 765 71 764 a-Alanine, conf. II
354371.4982 14.5316 -4.1123 3 445.3345435 89503 30372 765 71 864 a-Alanine, conf. II
354371.4982 14.5316 -4.1123 3 445.3345435 89503 30372 865 71 764 a-Alanine, conf. II
354371.4982 14.5316 -2.9609 3 445.3345435 89503 30372 865 71 864 a-Alanine, conf. II
354373.1508 7.1422 -3.1608 3 444.8882375 89503 303623527 613526 a-Alanine, conf. II
354373.1508 7.1422 -3.1608 3 444.8882375 89503 303623528 613527 a-Alanine, conf. II
354378.4769 8.8820 -3.9004 3 583.8045381 89503 3036355 8 6255 7 a-Alanine, conf. II
354378.4769 8.8820 -3.9004 3 583.8045381 89503 3036355 9 6255 8 a-Alanine, conf. II
354451.4701 0.5367 -4.3630 3 142.2591231 89503 303381226 371027 a-Alanine, conf. II
354463.6787 1.7489 -4.0131 3 214.6257255 89503 303422814 412715 a-Alanine, conf. II
354463.6787 1.7489 -4.0131 3 214.6257255 89503 303422815 412714 a-Alanine, conf. II
354509.5852 1.4999 -4.5078 3 125.6812201 89503 303332112 321913 a-Alanine, conf. II
354509.6443 1.4999 -4.5078 3 125.6812201 89503 303332113 321914 a-Alanine, conf. II
354516.7123 1.1722 -4.3899 3 136.0181213 89503 303352015 341816 a-Alanine, conf. II
354518.3267 8.7565 -3.8364 3 576.0056381 89503 3036354 9 6254 8 a-Alanine, conf. II
354518.3267 8.7565 -3.8364 3 576.0056381 89503 303635410 6254 9 a-Alanine, conf. II
354525.1606 1.1716 -4.3899 3 136.0178213 89503 303352016 341817 a-Alanine, conf. II
354538.4623 53.9677 -2.9231 3 452.9336465 89503 30377 077 76 076 a-Alanine, conf. II
354538.4623 53.9677 -4.0186 3 452.9336465 89503 30377 077 76 176 a-Alanine, conf. II
354538.4623 53.9677 -4.0186 3 452.9336465 89503 30377 177 76 076 a-Alanine, conf. II
354538.4623 53.9677 -2.9231 3 452.9336465 89503 30377 177 76 176 a-Alanine, conf. II
354666.9541 8.6367 -3.7780 3 568.3548381 89503 303635310 6253 9 a-Alanine, conf. II
354666.9541 8.6367 -3.7780 3 568.3548381 89503 303635311 625310 a-Alanine, conf. II
354671.8295 3.1642 -2.9393 3 377.2569363 89503 303602238 592237 a-Alanine, conf. II
354690.9671 0.5308 -4.3626 3 142.2593231 89503 303381326 371127 a-Alanine, conf. II
354777.8113 4.6804 -4.2984 3 418.0613393 89503 303651748 641847 a-Alanine, conf. II
354777.8131 4.6804 -2.9809 3 418.0613393 89503 303651848 641847 a-Alanine, conf. II
354777.8159 4.6804 -2.9809 3 418.0613393 89503 303651748 641747 a-Alanine, conf. II
354777.8177 4.6804 -4.2984 3 418.0613393 89503 303651848 641747 a-Alanine, conf. II
354825.0731 8.5230 -3.7244 3 560.8526381 89503 303635211 625210 a-Alanine, conf. II
354825.0731 8.5230 -3.7244 3 560.8526381 89503 303635212 625211 a-Alanine, conf. II
354849.5979 7.9708 -2.9726 3 440.6174423 89503 303701060 691059 a-Alanine, conf. II
354849.5979 7.9708 -4.1580 3 440.6174423 89503 303701060 691159 a-Alanine, conf. II
354849.5979 7.9708 -4.1580 3 440.6174423 89503 303701160 691059 a-Alanine, conf. II
354849.5979 7.9708 -2.9726 3 440.6174423 89503 303701160 691159 a-Alanine, conf. II
354925.6905 7.7433 -3.0171 3 404.1095369 89503 303612834 602833 a-Alanine, conf. II
354993.4771 8.4153 -3.6747 3 553.4994381 89503 303635112 625111 a-Alanine, conf. II
354993.4771 8.4153 -3.6747 3 553.4994381 89503 303635113 625112 a-Alanine, conf. II
355003.6116 7.9353 -3.0169 3 404.1115369 89503 303612833 602832 a-Alanine, conf. II
355009.7569 7.2071 -3.1382 3 440.1919375 89503 303623429 613428 a-Alanine, conf. II
355009.7571 7.2071 -3.1382 3 440.1919375 89503 303623428 613427 a-Alanine, conf. II
355134.3943 3.1801 -3.9130 3 208.3610237 89503 3033932 7 3831 8 a-Alanine, conf. II
355134.3943 3.1801 -3.9130 3 208.3610237 89503 3033932 8 3831 7 a-Alanine, conf. II
355169.7273 32.7851 -2.9424 3 452.6072453 89503 30375 372 74 371 a-Alanine, conf. II
355169.7273 32.7851 -4.0587 3 452.6072453 89503 30375 372 74 471 a-Alanine, conf. II
355169.7273 32.7851 -4.0587 3 452.6072453 89503 30375 472 74 371 a-Alanine, conf. II
355169.7273 32.7851 -2.9424 3 452.6072453 89503 30375 472 74 471 a-Alanine, conf. II
355173.0504 8.3138 -3.6283 3 546.2956381 89503 303635013 625012 a-Alanine, conf. II
355173.0504 8.3138 -3.6283 3 546.2956381 89503 303635014 625013 a-Alanine, conf. II
355180.5643 1.3488 -4.1946 3 163.7082243 89503 303401625 391426 a-Alanine, conf. II
355277.5235 3.2252 -2.9575 3 389.2670369 89503 303612339 602338 a-Alanine, conf. II
355344.4238 5.7395 -2.9804 3 433.9779411 89503 303681355 671354 a-Alanine, conf. II
355344.4238 5.7395 -4.2098 3 433.9779411 89503 303681355 671454 a-Alanine, conf. II
355344.4238 5.7395 -4.2098 3 433.9779411 89503 303681455 671354 a-Alanine, conf. II
355344.4238 5.7395 -2.9804 3 433.9779411 89503 303681455 671454 a-Alanine, conf. II
355364.7819 8.2186 -3.5848 3 539.2417381 89503 303634914 624913 a-Alanine, conf. II
355364.7819 8.2186 -3.5848 3 539.2417381 89503 303634915 624914 a-Alanine, conf. II
355392.4715 14.7506 -4.6599 3 404.0022375 89503 303622339 612438 a-Alanine, conf. II
355555.6922 5.1809 -3.8355 3 206.3983219 89503 3033636 0 3535 1 a-Alanine, conf. II
355555.6922 5.1809 -3.8355 3 206.3983219 89503 3033636 1 3535 0 a-Alanine, conf. II
355569.1011 1.4899 -4.0457 3 218.9136261 89503 303432717 422616 a-Alanine, conf. II
355569.1012 1.4899 -4.0457 3 218.9136261 89503 303432716 422617 a-Alanine, conf. II
355569.7821 8.1300 -3.5439 3 532.3383381 89503 303634815 624814 a-Alanine, conf. II
355569.7821 8.1300 -3.5439 3 532.3383381 89503 303634816 624815 a-Alanine, conf. II
355579.0027 3.3082 -4.4601 3 398.0239375 89503 303622141 612240 a-Alanine, conf. II
355591.1381 0.9974 -4.2541 3 154.7244231 89503 303381919 371720 a-Alanine, conf. II
355718.0419 18.4142 -2.9586 3 450.4080441 89503 30373 667 72 666 a-Alanine, conf. II
355718.0419 18.4142 -4.1000 3 450.4080441 89503 30373 667 72 766 a-Alanine, conf. II
355718.0419 18.4142 -4.1000 3 450.4080441 89503 30373 767 72 666 a-Alanine, conf. II
355718.0419 18.4142 -2.9586 3 450.4080441 89503 30373 767 72 766 a-Alanine, conf. II
355726.2565 7.3020 -3.1163 3 435.6711375 89503 303623330 613329 a-Alanine, conf. II
355726.2590 7.3020 -3.1163 3 435.6711375 89503 303623329 613328 a-Alanine, conf. II
355737.9464 0.9863 -4.1642 3 167.7495243 89503 303401823 391624 a-Alanine, conf. II
355789.3019 8.0482 -3.5052 3 525.5859381 89503 303634716 624715 a-Alanine, conf. II
355789.3019 8.0482 -3.5052 3 525.5859381 89503 303634717 624716 a-Alanine, conf. II
355795.8153 3.4501 -4.1465 3 181.3588255 89503 303421626 411427 a-Alanine, conf. II
355818.6886 3.3034 -2.9662 3 398.0239375 89503 303622241 612240 a-Alanine, conf. II
355919.2259 11.6024 -2.9259 3 369.2073357 89503 303592435 582434 a-Alanine, conf. II
355989.2038 5.0681 -4.2731 3 425.3383399 89503 303661650 651749 a-Alanine, conf. II
355989.2039 5.0681 -2.9834 3 425.3383399 89503 303661750 651749 a-Alanine, conf. II
355989.2040 5.0681 -2.9834 3 425.3383399 89503 303661650 651649 a-Alanine, conf. II
355989.2040 5.0681 -4.2731 3 425.3383399 89503 303661750 651649 a-Alanine, conf. II
356024.7574 7.9735 -3.4685 3 518.9854381 89503 303634617 624616 a-Alanine, conf. II
356024.7574 7.9735 -3.4685 3 518.9854381 89503 303634618 624617 a-Alanine, conf. II
356073.1507 3.3452 -2.9655 3 398.0074375 89503 303622141 612140 a-Alanine, conf. II
356208.5865 9.8857 -2.9714 3 446.3279429 89503 30371 962 70 961 a-Alanine, conf. II
356208.5865 9.8857 -4.1441 3 446.3279429 89503 30371 962 701061 a-Alanine, conf. II
356208.5865 9.8857 -4.1441 3 446.3279429 89503 303711062 70 961 a-Alanine, conf. II
356208.5865 9.8857 -2.9714 3 446.3279429 89503 303711062 701061 a-Alanine, conf. II
356238.1020 3.2401 -4.4171 3 244.3336291 89503 303482127 472028 a-Alanine, conf. II
356277.7589 7.9061 -3.4336 3 512.5373381 89503 303634518 624517 a-Alanine, conf. II
356277.7589 7.9061 -3.4336 3 512.5373381 89503 303634519 624518 a-Alanine, conf. II
356312.8366 3.4472 -4.4581 3 398.0074375 89503 303622241 612140 a-Alanine, conf. II
356317.6359 3.7041 -4.4023 3 406.4356381 89503 303632043 622142 a-Alanine, conf. II
356331.7181 3.7104 -2.9738 3 406.4356381 89503 303632143 622142 a-Alanine, conf. II
356348.9129 3.7171 -2.9738 3 406.4346381 89503 303632043 622042 a-Alanine, conf. II
356362.9950 3.7238 -4.4022 3 406.4346381 89503 303632143 622042 a-Alanine, conf. II
356383.3450 1.1562 -4.3262 3 246.7798291 89503 303482227 472126 a-Alanine, conf. II
356401.6242 2.7490 -3.9366 3 211.3733243 89503 3034031 9 393010 a-Alanine, conf. II
356401.6242 2.7490 -3.9366 3 211.3733243 89503 303403110 3930 9 a-Alanine, conf. II
356478.8079 39.9733 -2.9389 3 456.8541459 89503 30376 274 75 273 a-Alanine, conf. II
356478.8079 39.9733 -4.0477 3 456.8541459 89503 30376 274 75 373 a-Alanine, conf. II
356478.8079 39.9733 -4.0477 3 456.8541459 89503 30376 374 75 273 a-Alanine, conf. II
356478.8079 39.9733 -2.9389 3 456.8541459 89503 30376 374 75 373 a-Alanine, conf. II
356540.4603 7.4359 -3.0951 3 431.3311375 89503 303623231 613230 a-Alanine, conf. II
356540.4897 7.4361 -3.0951 3 431.3311375 89503 303623230 613229 a-Alanine, conf. II
356550.1471 7.8466 -3.4004 3 506.2427381 89503 303634419 624418 a-Alanine, conf. II
356550.1471 7.8466 -3.4004 3 506.2427381 89503 303634420 624419 a-Alanine, conf. II
356571.2405 1.3014 -4.0824 3 223.5951267 89503 303442619 432518 a-Alanine, conf. II
356571.2434 1.3014 -4.0824 3 223.5951267 89503 303442618 432519 a-Alanine, conf. II
356602.2038 8.0663 -2.9978 3 400.7694369 89503 303612735 602734 a-Alanine, conf. II
356689.0636 6.3252 -2.9805 3 440.3405417 89503 303691257 681256 a-Alanine, conf. II
356689.0636 6.3252 -4.1930 3 440.3405417 89503 303691257 681356 a-Alanine, conf. II
356689.0636 6.3252 -4.1930 3 440.3405417 89503 303691357 681256 a-Alanine, conf. II
356689.0636 6.3252 -2.9805 3 440.3405417 89503 303691357 681356 a-Alanine, conf. II
356759.9643 0.9510 -4.2521 3 154.6839231 89503 303381920 371721 a-Alanine, conf. II
356844.0383 7.7953 -3.3687 3 500.1024381 89503 303634320 624319 a-Alanine, conf. II
356844.0383 7.7953 -3.3687 3 500.1024381 89503 303634321 624320 a-Alanine, conf. II
356861.0332 4.6077 -3.8542 3 208.2046225 89503 3033735 2 3634 3 a-Alanine, conf. II
356861.0332 4.6077 -3.8542 3 208.2046225 89503 3033735 3 3634 2 a-Alanine, conf. II
356896.2804 0.3406 -4.5059 3 130.3544225 89503 303371027 36 828 a-Alanine, conf. II
356901.9043 0.3408 -4.5059 3 130.3544225 89503 303371127 36 928 a-Alanine, conf. II
357055.8412 23.1246 -2.9561 3 455.2858447 89503 30374 569 73 568 a-Alanine, conf. II
357055.8412 23.1246 -4.0883 3 455.2858447 89503 30374 569 73 668 a-Alanine, conf. II
357055.8412 23.1246 -4.0883 3 455.2858447 89503 30374 669 73 568 a-Alanine, conf. II
357055.8412 23.1246 -2.9561 3 455.2858447 89503 30374 669 73 668 a-Alanine, conf. II
357093.1375 9.1217 -2.9966 3 400.7840369 89503 303612734 602733 a-Alanine, conf. II
357140.5683 4.1708 -4.3602 3 414.5282387 89503 303641945 632044 a-Alanine, conf. II
357141.2088 4.1713 -2.9796 3 414.5282387 89503 303642045 632044 a-Alanine, conf. II
357142.0760 4.1718 -2.9796 3 414.5281387 89503 303641945 631944 a-Alanine, conf. II
357142.7166 4.1722 -4.3602 3 414.5281387 89503 303642045 631944 a-Alanine, conf. II
357161.8816 7.7531 -3.3384 3 494.1175381 89503 303634221 624220 a-Alanine, conf. II
357161.8816 7.7531 -3.3384 3 494.1175381 89503 303634222 624221 a-Alanine, conf. II
357175.2130 2.3183 -4.7569 3 113.5929183 89503 3033023 7 2921 8 a-Alanine, conf. II
357175.2130 2.3183 -4.7569 3 113.5929183 89503 3033023 8 2921 9 a-Alanine, conf. II
357258.3190 5.4180 -2.9852 3 432.3866405 89503 303671552 661551 a-Alanine, conf. II
357258.3190 5.4180 -4.2510 3 432.3866405 89503 303671552 661651 a-Alanine, conf. II
357258.3190 5.4180 -4.2510 3 432.3866405 89503 303671652 661551 a-Alanine, conf. II
357258.3190 5.4180 -2.9852 3 432.3866405 89503 303671652 661651 a-Alanine, conf. II
357353.7280 0.4999 -4.6873 3 118.4343219 89503 30336 828 35 629 a-Alanine, conf. II
357353.7983 0.4999 -4.6873 3 118.4343219 89503 30336 928 35 729 a-Alanine, conf. II
357415.7841 1.2016 -4.1246 3 228.6872273 89503 303452521 442420 a-Alanine, conf. II
357415.9275 1.2016 -4.1246 3 228.6872273 89503 303452520 442421 a-Alanine, conf. II
357477.0159 7.6229 -3.0745 3 427.1785375 89503 303623132 613131 a-Alanine, conf. II
357477.3280 7.6240 -3.0745 3 427.1785375 89503 303623131 613130 a-Alanine, conf. II
357506.5314 7.7205 -3.3094 3 488.2893381 89503 303634122 624121 a-Alanine, conf. II
357506.5314 7.7205 -3.3094 3 488.2893381 89503 303634123 624122 a-Alanine, conf. II
357564.5398 12.4899 -2.9700 3 451.8401435 89503 30372 864 71 863 a-Alanine, conf. II
357564.5398 12.4899 -4.1310 3 451.8401435 89503 30372 864 71 963 a-Alanine, conf. II
357564.5398 12.4899 -4.1310 3 451.8401435 89503 30372 964 71 863 a-Alanine, conf. II
357564.5398 12.4899 -2.9700 3 451.8401435 89503 30372 964 71 963 a-Alanine, conf. II
357643.2014 2.3561 -3.9621 3 214.7462249 89503 303413011 402912 a-Alanine, conf. II
357643.2014 2.3561 -3.9621 3 214.7462249 89503 303413012 402911 a-Alanine, conf. II
357726.4059 3.3384 -2.9502 3 389.0875369 89503 303612239 602238 a-Alanine, conf. II
357767.3763 5.4757 -2.9095 3 367.3594357 89503 303592336 582335 a-Alanine, conf. II
357771.6076 0.8742 -4.3034 3 151.7452237 89503 303391326 381127 a-Alanine, conf. II
357775.5499 48.2462 -2.9352 3 460.9051465 89503 30377 176 76 175 a-Alanine, conf. II
357775.5499 48.2462 -4.0371 3 460.9051465 89503 30377 176 76 275 a-Alanine, conf. II
357775.5499 48.2462 -4.0371 3 460.9051465 89503 30377 276 76 175 a-Alanine, conf. II
357775.5499 48.2462 -2.9352 3 460.9051465 89503 30377 276 76 275 a-Alanine, conf. II
357848.4916 6.2857 -4.7542 3 210.7229273 89503 303451827 441728 a-Alanine, conf. II
357881.3422 7.6987 -3.2816 3 482.6193381 89503 303634023 624022 a-Alanine, conf. II
357881.3422 7.6987 -3.2816 3 482.6193381 89503 303634024 624023 a-Alanine, conf. II
358006.5224 1.1988 -4.1746 3 234.2144279 89503 303462423 452322 a-Alanine, conf. II
358011.5740 1.1999 -4.1746 3 234.2142279 89503 303462422 452323 a-Alanine, conf. II
358042.5557 7.2649 -2.9803 3 446.4982423 89503 303701159 691158 a-Alanine, conf. II
358042.5557 7.2649 -4.1776 3 446.4982423 89503 303701159 691258 a-Alanine, conf. II
358042.5557 7.2649 -4.1776 3 446.4982423 89503 303701259 691158 a-Alanine, conf. II
358042.5557 7.2649 -2.9803 3 446.4982423 89503 303701259 691258 a-Alanine, conf. II
358103.7205 1.2586 -4.2374 3 240.2156285 89503 303472325 462224 a-Alanine, conf. II
358134.1395 4.4352 -2.9579 3 392.0562369 89503 303612438 602437 a-Alanine, conf. II
358157.7018 4.6416 -4.3267 3 422.3396393 89503 303651847 641946 a-Alanine, conf. II
358157.7252 4.6416 -2.9840 3 422.3396393 89503 303651947 641946 a-Alanine, conf. II
358157.7596 4.6416 -2.9840 3 422.3395393 89503 303651847 641846 a-Alanine, conf. II
358157.7830 4.6416 -4.3267 3 422.3395393 89503 303651947 641846 a-Alanine, conf. II
358160.8428 4.0706 -3.8741 3 210.3573231 89503 3033834 4 3733 5 a-Alanine, conf. II
358160.8428 4.0706 -3.8741 3 210.3573231 89503 3033834 5 3733 4 a-Alanine, conf. II
358171.0551 12.9728 -2.9505 3 383.2525363 89503 303602535 592534 a-Alanine, conf. II
358211.9777 4.7422 -4.5309 3 401.1178375 89503 303622240 612339 a-Alanine, conf. II
358228.9524 1.2965 -4.2371 3 240.2123285 89503 303472324 462225 a-Alanine, conf. II
358253.8061 7.9732 -4.5507 3 296.6104321 89503 303532232 522131 a-Alanine, conf. II
358268.9303 7.8510 -2.9796 3 397.6749369 89503 303612636 602635 a-Alanine, conf. II
358287.2965 1.2254 -4.0252 3 203.2753267 89503 303441925 431726 a-Alanine, conf. II
358288.1241 1.0567 -4.2245 3 162.1798237 89503 303391920 381721 a-Alanine, conf. II
358290.2929 7.6890 -3.2549 3 477.1090381 89503 303633924 623923 a-Alanine, conf. II
358290.2929 7.6890 -3.2549 3 477.1090381 89503 303633925 623924 a-Alanine, conf. II
358383.6471 28.7279 -2.9534 3 459.9679453 89503 30375 471 74 470 a-Alanine, conf. II
358383.6471 28.7279 -4.0771 3 459.9679453 89503 30375 471 74 570 a-Alanine, conf. II
358383.6471 28.7279 -4.0771 3 459.9679453 89503 30375 571 74 470 a-Alanine, conf. II
358383.6471 28.7279 -2.9534 3 459.9679453 89503 30375 571 74 570 a-Alanine, conf. II
358469.3943 1.7432 -4.3224 3 246.7276291 89503 303482226 472127 a-Alanine, conf. II
358554.3977 1.5341 -4.0829 3 194.5672261 89503 303431924 421725 a-Alanine, conf. II
358564.8463 5.7687 -2.9864 3 439.2153411 89503 303681454 671453 a-Alanine, conf. II
358564.8463 5.7687 -4.2314 3 439.2153411 89503 303681454 671553 a-Alanine, conf. II
358564.8463 5.7687 -4.2314 3 439.2153411 89503 303681554 671453 a-Alanine, conf. II
358564.8463 5.7687 -2.9864 3 439.2153411 89503 303681554 671553 a-Alanine, conf. II
358571.0793 7.8836 -3.0544 3 423.2222375 89503 303623033 613032 a-Alanine, conf. II
358574.0096 7.8929 -3.0544 3 423.2222375 89503 303623032 613031 a-Alanine, conf. II
358615.4068 0.8196 -4.3018 3 151.7461237 89503 303391426 381227 a-Alanine, conf. II
358674.8398 1.8550 -4.5945 3 122.2851195 89503 303322210 312011 a-Alanine, conf. II
358674.8406 1.8550 -4.5945 3 122.2851195 89503 303322211 312012 a-Alanine, conf. II
358738.1536 7.6928 -3.2292 3 471.7603381 89503 303633825 623824 a-Alanine, conf. II
358738.1536 7.6928 -3.2292 3 471.7603381 89503 303633826 623825 a-Alanine, conf. II
358847.3457 2.0058 -3.9898 3 218.4861255 89503 303422913 412814 a-Alanine, conf. II
358847.3457 2.0058 -3.9898 3 218.4861255 89503 303422914 412813 a-Alanine, conf. II
358914.9825 15.8444 -2.9683 3 457.1550441 89503 30373 766 72 765 a-Alanine, conf. II
358914.9825 15.8444 -4.1187 3 457.1550441 89503 30373 766 72 865 a-Alanine, conf. II
358914.9825 15.8444 -4.1187 3 457.1550441 89503 30373 866 72 765 a-Alanine, conf. II
358914.9825 15.8444 -2.9683 3 457.1550441 89503 30373 866 72 865 a-Alanine, conf. II
359059.4548 57.6928 -2.9312 3 464.7597471 89503 30378 078 77 077 a-Alanine, conf. II
359059.4548 57.6928 -4.0267 3 464.7597471 89503 30378 078 77 177 a-Alanine, conf. II
359059.4548 57.6928 -4.0267 3 464.7597471 89503 30378 178 77 077 a-Alanine, conf. II
359059.4548 57.6928 -2.9312 3 464.7597471 89503 30378 178 77 177 a-Alanine, conf. II
359096.1439 1.1478 -4.3528 3 142.7584219 89503 303362016 351817 a-Alanine, conf. II
359111.4340 6.4772 -2.9651 3 394.8040369 89503 303612537 602536 a-Alanine, conf. II
359119.6998 1.1463 -4.3527 3 142.7576219 89503 303362017 351818 a-Alanine, conf. II
359161.0428 2.3471 -4.2029 3 171.3102249 89503 303411526 401327 a-Alanine, conf. II
359230.7148 7.7125 -3.2045 3 466.5756381 89503 303633726 623725 a-Alanine, conf. II
359230.7148 7.7125 -3.2045 3 466.5756381 89503 303633727 623726 a-Alanine, conf. II
359254.6244 10.4515 -4.6160 3 654.3137387 89503 3036462 2 6362 1 a-Alanine, conf. II
359254.6244 10.4515 -4.6160 3 654.3137387 89503 3036462 3 6362 2 a-Alanine, conf. II
359301.5603 5.0845 -4.2988 3 429.8954399 89503 303661749 651848 a-Alanine, conf. II
359301.5610 5.0845 -2.9874 3 429.8954399 89503 303661849 651848 a-Alanine, conf. II
359301.5621 5.0845 -2.9874 3 429.8954399 89503 303661749 651748 a-Alanine, conf. II
359301.5628 5.0845 -4.2988 3 429.8954399 89503 303661849 651748 a-Alanine, conf. II
359352.8584 10.2895 -4.4247 3 645.4893387 89503 3036461 3 6361 2 a-Alanine, conf. II
359352.8584 10.2895 -4.4247 3 645.4893387 89503 3036461 4 6361 3 a-Alanine, conf. II
359399.5550 8.7210 -2.9797 3 452.4540429 89503 303711061 701060 a-Alanine, conf. II
359399.5550 8.7210 -4.1634 3 452.4540429 89503 303711061 701160 a-Alanine, conf. II
359399.5550 8.7210 -4.1634 3 452.4540429 89503 303711161 701060 a-Alanine, conf. II
359399.5550 8.7210 -2.9797 3 452.4540429 89503 303711161 701160 a-Alanine, conf. II
359451.6717 3.5695 -3.8952 3 212.8594237 89503 3033933 6 3832 7 a-Alanine, conf. II
359451.6717 3.5695 -3.8952 3 212.8594237 89503 3033933 7 3832 6 a-Alanine, conf. II
359456.6868 10.1331 -4.2850 3 636.8112387 89503 3036460 4 6360 3 a-Alanine, conf. II
359456.6868 10.1331 -4.2850 3 636.8112387 89503 3036460 5 6360 4 a-Alanine, conf. II
359495.8004 1.4572 -4.4643 3 131.9877207 89503 303342113 331914 a-Alanine, conf. II
359496.0042 1.4572 -4.4643 3 131.9877207 89503 303342114 331915 a-Alanine, conf. II
359566.4949 9.9823 -4.1735 3 628.2797387 89503 3036459 5 6359 4 a-Alanine, conf. II
359566.4949 9.9823 -4.1735 3 628.2797387 89503 3036459 6 6359 5 a-Alanine, conf. II
359667.9614 1.4405 -4.2508 3 161.4326243 89503 303401426 391227 a-Alanine, conf. II
359682.7045 9.8372 -4.0802 3 619.8951387 89503 3036458 6 6358 5 a-Alanine, conf. II
359682.7045 9.8372 -4.0802 3 619.8951387 89503 3036458 7 6358 6 a-Alanine, conf. II
359700.4737 35.2966 -2.9504 3 464.4544459 89503 30376 373 75 372 a-Alanine, conf. II
359700.4737 35.2966 -4.0662 3 464.4544459 89503 30376 373 75 472 a-Alanine, conf. II
359700.4737 35.2966 -4.0662 3 464.4544459 89503 30376 473 75 372 a-Alanine, conf. II
359700.4737 35.2966 -2.9504 3 464.4544459 89503 30376 473 75 472 a-Alanine, conf. II
359705.0940 1.5424 -4.1317 3 186.0822255 89503 303421923 411724 a-Alanine, conf. II
359747.9273 3.3658 -2.9640 3 401.1178375 89503 303622340 612339 a-Alanine, conf. II
359775.1083 7.7510 -3.1807 3 461.5574381 89503 303633627 623626 a-Alanine, conf. II
359775.1083 7.7510 -3.1807 3 461.5574381 89503 303633628 623627 a-Alanine, conf. II
359805.7771 9.6978 -3.9993 3 611.6576387 89503 3036457 7 6357 6 a-Alanine, conf. II
359805.7771 9.6978 -3.9993 3 611.6576387 89503 3036457 8 6357 7 a-Alanine, conf. II
359822.7769 1.2933 -4.3606 3 256.2164297 89503 303492228 482127 a-Alanine, conf. II
359871.4474 8.2396 -3.0347 3 419.4736375 89503 303622934 612933 a-Alanine, conf. II
359895.2176 6.2056 -2.9872 3 445.8309417 89503 303691356 681355 a-Alanine, conf. II
359895.2176 6.2056 -4.2138 3 445.8309417 89503 303691356 681455 a-Alanine, conf. II
359895.2176 6.2056 -4.2138 3 445.8309417 89503 303691456 681355 a-Alanine, conf. II
359895.2176 6.2056 -2.9872 3 445.8309417 89503 303691456 681455 a-Alanine, conf. II
359895.4517 8.3085 -3.0347 3 419.4742375 89503 303622933 612932 a-Alanine, conf. II
359936.2197 9.5641 -3.9278 3 603.5676387 89503 3036456 8 6356 7 a-Alanine, conf. II
359936.2197 9.5641 -3.9278 3 603.5676387 89503 3036456 9 6356 8 a-Alanine, conf. II
359980.1719 1.1730 -4.1966 3 169.8840243 89503 303401921 391722 a-Alanine, conf. II
359997.0193 1.7061 -4.0202 3 222.6011261 89503 303432815 422716 a-Alanine, conf. II
359997.0193 1.7061 -4.0202 3 222.6011261 89503 303432816 422715 a-Alanine, conf. II
360048.3786 3.6098 -4.4481 3 409.8928381 89503 303632142 622241 a-Alanine, conf. II
360051.8119 9.2060 -4.5594 3 377.2569363 89503 303602338 592237 a-Alanine, conf. II
360074.5901 9.4364 -3.8634 3 595.6253387 89503 3036455 9 6355 8 a-Alanine, conf. II
360074.5901 9.4364 -3.8634 3 595.6253387 89503 303645510 6355 9 a-Alanine, conf. II
360162.1899 3.6283 -2.9732 3 409.8928381 89503 303632242 622241 a-Alanine, conf. II
360221.5036 9.3145 -3.8047 3 587.8310387 89503 303645410 6354 9 a-Alanine, conf. II
360221.5036 9.3145 -3.8047 3 587.8310387 89503 303645411 635410 a-Alanine, conf. II
360257.9907 20.0050 -2.9663 3 462.2735447 89503 30374 668 73 667 a-Alanine, conf. II
360257.9907 20.0050 -4.1069 3 462.2735447 89503 30374 668 73 767 a-Alanine, conf. II
360257.9907 20.0050 -4.1069 3 462.2735447 89503 30374 768 73 667 a-Alanine, conf. II
360257.9907 20.0050 -2.9663 3 462.2735447 89503 30374 768 73 767 a-Alanine, conf. II
360288.0645 3.6574 -2.9728 3 409.8848381 89503 303632142 622141 a-Alanine, conf. II
360377.6404 9.1987 -3.7507 3 580.1853387 89503 303645311 635310 a-Alanine, conf. II
360377.6404 9.1987 -3.7507 3 580.1853387 89503 303645312 635311 a-Alanine, conf. II
360380.2710 7.8120 -3.1577 3 456.7088381 89503 303633528 623527 a-Alanine, conf. II
360380.2710 7.8120 -3.1577 3 456.7088381 89503 303633529 623528 a-Alanine, conf. II
360401.8758 3.7033 -4.4472 3 409.8848381 89503 303632242 622141 a-Alanine, conf. II
360419.9650 1.3589 -4.1677 3 177.8500249 89503 303411922 401723 a-Alanine, conf. II
360479.3263 1.5336 -3.9764 3 212.1677273 89503 303451926 441727 a-Alanine, conf. II
360525.8989 5.4823 -4.2748 3 437.2128405 89503 303671651 661750 a-Alanine, conf. II
360525.8989 5.4823 -2.9901 3 437.2128405 89503 303671751 661750 a-Alanine, conf. II
360525.8990 5.4823 -2.9901 3 437.2128405 89503 303671651 661650 a-Alanine, conf. II
360525.8990 5.4823 -4.2748 3 437.2128405 89503 303671751 661650 a-Alanine, conf. II
360543.7550 9.0891 -3.7007 3 572.6883387 89503 303645212 635211 a-Alanine, conf. II
360543.7550 9.0891 -3.7007 3 572.6883387 89503 303645213 635212 a-Alanine, conf. II
360657.5058 6.7207 -4.5375 3 389.0875369 89503 303612339 602238 a-Alanine, conf. II
360678.6669 12.0555 -2.9734 3 397.7625369 89503 303612635 602634 a-Alanine, conf. II
360720.6863 8.9858 -3.6539 3 565.3407387 89503 303645113 635112 a-Alanine, conf. II
360720.6863 8.9858 -3.6539 3 565.3407387 89503 303645114 635113 a-Alanine, conf. II
360728.7305 3.1047 -3.9177 3 215.7146243 89503 3034032 8 3931 9 a-Alanine, conf. II
360728.7305 3.1047 -3.9177 3 215.7146243 89503 3034032 9 3931 8 a-Alanine, conf. II
360740.5026 4.0717 -4.3965 3 418.3216387 89503 303642044 632143 a-Alanine, conf. II
360746.7475 4.0751 -2.9807 3 418.3216387 89503 303642144 632143 a-Alanine, conf. II
360749.9218 0.9607 -4.2208 3 162.0939237 89503 303391921 381722 a-Alanine, conf. II
360754.5848 4.0788 -2.9806 3 418.3211387 89503 303642044 632043 a-Alanine, conf. II
360756.0674 10.8187 -2.9788 3 458.2098435 89503 30372 963 71 962 a-Alanine, conf. II
360756.0674 10.8187 -4.1500 3 458.2098435 89503 30372 963 711062 a-Alanine, conf. II
360756.0674 10.8187 -4.1500 3 458.2098435 89503 303721063 71 962 a-Alanine, conf. II
360756.0674 10.8187 -2.9788 3 458.2098435 89503 303721063 711062 a-Alanine, conf. II
360760.8296 4.0823 -4.3964 3 418.3211387 89503 303642144 632043 a-Alanine, conf. II
360909.3705 8.8889 -3.6101 3 558.1429387 89503 303645014 635013 a-Alanine, conf. II
360909.3705 8.8889 -3.6101 3 558.1429387 89503 303645015 635014 a-Alanine, conf. II
360958.2220 1.5304 -4.1556 3 173.5209249 89503 303411725 401526 a-Alanine, conf. II
361005.5437 42.9100 -2.9471 3 468.7450465 89503 30377 275 76 274 a-Alanine, conf. II
361005.5437 42.9100 -4.0557 3 468.7450465 89503 30377 275 76 374 a-Alanine, conf. II
361005.5437 42.9100 -4.0557 3 468.7450465 89503 30377 375 76 274 a-Alanine, conf. II
361005.5437 42.9100 -2.9471 3 468.7450465 89503 30377 375 76 374 a-Alanine, conf. II
361057.6388 7.9012 -3.1355 3 452.0337381 89503 303633430 623429 a-Alanine, conf. II
361057.6394 7.9012 -3.1355 3 452.0337381 89503 303633429 623428 a-Alanine, conf. II
361066.9242 1.4702 -4.0540 3 227.1015267 89503 303442718 432617 a-Alanine, conf. II
361066.9244 1.4702 -4.0540 3 227.1015267 89503 303442717 432618 a-Alanine, conf. II
361110.8556 8.7986 -3.5688 3 551.0954387 89503 303644915 634914 a-Alanine, conf. II
361110.8556 8.7986 -3.5688 3 551.0954387 89503 303644916 634915 a-Alanine, conf. II
361143.0775 3.4720 -2.9601 3 401.0200375 89503 303622240 612239 a-Alanine, conf. II
361166.8741 5.0966 -3.8390 3 213.1579225 89503 3033736 1 3635 2 a-Alanine, conf. II
361166.8741 5.0966 -3.8390 3 213.1579225 89503 3033736 2 3635 1 a-Alanine, conf. II
361231.6748 11.7962 -4.5811 3 365.5210357 89503 303592337 582236 a-Alanine, conf. II
361239.9937 6.8658 -2.9876 3 452.2383423 89503 303701258 691257 a-Alanine, conf. II
361239.9937 6.8658 -4.1978 3 452.2383423 89503 303701258 691357 a-Alanine, conf. II
361239.9937 6.8658 -4.1978 3 452.2383423 89503 303701358 691257 a-Alanine, conf. II
361239.9937 6.8658 -2.9876 3 452.2383423 89503 303701358 691357 a-Alanine, conf. II
361326.3194 8.7152 -3.5298 3 544.1988387 89503 303644816 634815 a-Alanine, conf. II
361326.3194 8.7152 -3.5298 3 544.1988387 89503 303644817 634816 a-Alanine, conf. II
361332.9580 5.7675 -4.5047 3 286.1095315 89503 303522231 512130 a-Alanine, conf. II
361425.7584 8.6617 -3.0153 3 415.9485375 89503 303622835 612834 a-Alanine, conf. II
361557.0910 8.6390 -3.4927 3 537.4538387 89503 303644717 634716 a-Alanine, conf. II
361557.0910 8.6390 -3.4927 3 537.4538387 89503 303644718 634717 a-Alanine, conf. II
361592.0560 25.0316 -2.9641 3 467.1959453 89503 30375 570 74 569 a-Alanine, conf. II
361592.0560 25.0316 -4.0957 3 467.1959453 89503 30375 570 74 669 a-Alanine, conf. II
361592.0560 25.0316 -4.0957 3 467.1959453 89503 30375 670 74 569 a-Alanine, conf. II
361592.0560 25.0316 -2.9641 3 467.1959453 89503 30375 670 74 669 a-Alanine, conf. II
361593.8806 9.0898 -3.0149 3 415.9531375 89503 303622834 612833 a-Alanine, conf. II
361613.6188 4.5653 -4.3577 3 426.4411393 89503 303651946 642045 a-Alanine, conf. II
361613.8877 4.5655 -2.9864 3 426.4411393 89503 303652046 642045 a-Alanine, conf. II
361614.2593 4.5658 -2.9864 3 426.4411393 89503 303651946 641945 a-Alanine, conf. II
361614.5282 4.5660 -4.3577 3 426.4411393 89503 303652046 641945 a-Alanine, conf. II
361711.0420 0.3771 -4.4312 3 139.6798231 89503 303381127 37 928 a-Alanine, conf. II
361736.9747 0.3776 -4.4312 3 139.6798231 89503 303381227 371028 a-Alanine, conf. II
361802.3750 5.8451 -2.9921 3 444.3034411 89503 303681553 671552 a-Alanine, conf. II
361802.3750 5.8451 -4.2539 3 444.3034411 89503 303681553 671652 a-Alanine, conf. II
361802.3750 5.8451 -4.2539 3 444.3034411 89503 303681653 671552 a-Alanine, conf. II
361802.3750 5.8451 -2.9921 3 444.3034411 89503 303681653 671652 a-Alanine, conf. II
361804.6768 8.5702 -3.4575 3 530.8611387 89503 303644618 634617 a-Alanine, conf. II
361804.6768 8.5702 -3.4575 3 530.8611387 89503 303644619 634618 a-Alanine, conf. II
361818.2937 1.2064 -4.1442 3 175.5558249 89503 303411824 401625 a-Alanine, conf. II
361822.2236 8.0265 -3.1141 3 447.5369381 89503 303633331 623330 a-Alanine, conf. II
361822.2306 8.0266 -3.1141 3 447.5369381 89503 303633330 623329 a-Alanine, conf. II
361985.3495 2.6777 -3.9419 3 218.9275249 89503 303413110 403011 a-Alanine, conf. II
361985.3495 2.6777 -3.9419 3 218.9275249 89503 303413111 403010 a-Alanine, conf. II
362018.0362 1.3165 -4.0923 3 232.0012273 89503 303452620 442519 a-Alanine, conf. II
362018.0461 1.3165 -4.0923 3 232.0012273 89503 303452619 442520 a-Alanine, conf. II
362070.7927 8.5093 -3.4239 3 524.4215387 89503 303644519 634518 a-Alanine, conf. II
362070.7927 8.5093 -3.4239 3 524.4215387 89503 303644520 634519 a-Alanine, conf. II
362077.9624 2.0165 -4.4025 3 265.9088303 89503 303502229 492128 a-Alanine, conf. II
362109.0552 13.6417 -2.9776 3 463.7672441 89503 30373 865 72 864 a-Alanine, conf. II
362109.0552 13.6417 -4.1375 3 463.7672441 89503 30373 865 72 964 a-Alanine, conf. II
362109.0552 13.6417 -4.1375 3 463.7672441 89503 30373 965 72 864 a-Alanine, conf. II
362109.0552 13.6417 -2.9776 3 463.7672441 89503 30373 965 72 964 a-Alanine, conf. II
362204.1410 3.3934 -2.9184 3 379.2933363 89503 303602337 592336 a-Alanine, conf. II
362286.8262 1.1922 -4.2468 3 161.4363243 89503 303401526 391327 a-Alanine, conf. II
362298.2490 51.6539 -2.9436 3 472.8392471 89503 30378 177 77 176 a-Alanine, conf. II
362298.2490 51.6539 -4.0454 3 472.8392471 89503 30378 177 77 276 a-Alanine, conf. II
362298.2490 51.6539 -4.0454 3 472.8392471 89503 30378 277 77 176 a-Alanine, conf. II
362298.2490 51.6539 -2.9436 3 472.8392471 89503 30378 277 77 276 a-Alanine, conf. II
362357.4038 8.4568 -3.3919 3 518.1359387 89503 303644420 634419 a-Alanine, conf. II
362357.4038 8.4568 -3.3919 3 518.1359387 89503 303644421 634420 a-Alanine, conf. II
362469.4574 4.5244 -3.8581 3 215.1587231 89503 3033835 3 3734 4 a-Alanine, conf. II
362469.4574 4.5244 -3.8581 3 215.1587231 89503 3033835 4 3734 3 a-Alanine, conf. II
362495.2422 2.2628 -4.6941 3 119.2761189 89503 3033123 8 3021 9 a-Alanine, conf. II
362495.2422 2.2628 -4.6941 3 119.2761189 89503 3033123 9 302110 a-Alanine, conf. II
362592.3969 7.9201 -2.9877 3 458.4412429 89503 303711160 701159 a-Alanine, conf. II
362592.3969 7.9201 -4.1830 3 458.4412429 89503 303711160 701259 a-Alanine, conf. II
362592.3969 7.9201 -4.1830 3 458.4412429 89503 303711260 701159 a-Alanine, conf. II
362592.3969 7.9201 -2.9877 3 458.4412429 89503 303711260 701259 a-Alanine, conf. II
362616.9745 0.6384 -4.7991 3 115.4807219 89503 30336 729 35 530 a-Alanine, conf. II
362616.9781 0.6384 -4.7991 3 115.4807219 89503 30336 829 35 630 a-Alanine, conf. II
362663.9488 5.0559 -4.3263 3 434.2864399 89503 303661848 651947 a-Alanine, conf. II
362663.9582 5.0559 -2.9909 3 434.2864399 89503 303661948 651947 a-Alanine, conf. II
362663.9722 5.0560 -2.9909 3 434.2864399 89503 303661848 651847 a-Alanine, conf. II
362663.9815 5.0560 -4.3263 3 434.2864399 89503 303661948 651847 a-Alanine, conf. II
362666.7743 8.4133 -3.3612 3 512.0054387 89503 303644321 634320 a-Alanine, conf. II
362666.7743 8.4133 -3.3612 3 512.0054387 89503 303644322 634321 a-Alanine, conf. II
362672.2529 3.5955 -4.4521 3 275.8715309 89503 303512230 502129 a-Alanine, conf. II
362679.0272 5.0446 -4.5183 3 401.0200375 89503 303622340 612239 a-Alanine, conf. II
362694.3584 8.1998 -3.0933 3 443.2240381 89503 303633232 623231 a-Alanine, conf. II
362694.4378 8.2001 -3.0933 3 443.2240381 89503 303633231 623230 a-Alanine, conf. II
362786.4975 1.2611 -4.1365 3 237.3191279 89503 303462522 452421 a-Alanine, conf. II
362786.9295 1.2612 -4.1365 3 237.3191279 89503 303462521 452422 a-Alanine, conf. II
362855.9135 0.4371 -4.5908 3 127.5763225 89503 30337 928 36 729 a-Alanine, conf. II
362856.3344 0.4371 -4.5908 3 127.5763225 89503 303371028 36 829 a-Alanine, conf. II
362915.9898 30.9913 -2.9616 3 471.9223459 89503 30376 472 75 471 a-Alanine, conf. II
362915.9898 30.9913 -4.0848 3 471.9223459 89503 30376 472 75 571 a-Alanine, conf. II
362915.9898 30.9913 -4.0848 3 471.9223459 89503 30376 572 75 471 a-Alanine, conf. II
362915.9898 30.9913 -2.9616 3 471.9223459 89503 30376 572 75 571 a-Alanine, conf. II
363001.5308 8.3795 -3.3319 3 506.0311387 89503 303644222 634221 a-Alanine, conf. II
363001.5308 8.3795 -3.3319 3 506.0311387 89503 303644223 634222 a-Alanine, conf. II
363053.0333 1.3595 -4.2579 3 249.3400291 89503 303482326 472225 a-Alanine, conf. II
363112.7108 6.2205 -2.9936 3 451.1757417 89503 303691455 681454 a-Alanine, conf. II
363112.7108 6.2205 -4.2353 3 451.1757417 89503 303691455 681554 a-Alanine, conf. II
363112.7108 6.2205 -4.2353 3 451.1757417 89503 303691555 681454 a-Alanine, conf. II
363112.7108 6.2205 -2.9936 3 451.1757417 89503 303691555 681554 a-Alanine, conf. II
363113.6600 4.1744 -2.9631 3 404.0022375 89503 303622439 612438 a-Alanine, conf. II
363175.7852 8.8783 -2.9963 3 412.6644375 89503 303622736 612735 a-Alanine, conf. II
363212.1660 2.2916 -3.9681 3 222.5034255 89503 303423012 412913 a-Alanine, conf. II
363212.1660 2.2916 -3.9681 3 222.5034255 89503 303423013 412912 a-Alanine, conf. II
363252.8671 1.3013 -4.1897 3 243.0829285 89503 303472424 462323 a-Alanine, conf. II
363266.4348 1.3054 -4.1897 3 243.0826285 89503 303472423 462324 a-Alanine, conf. II
363347.5968 4.0485 -4.5085 3 413.1177381 89503 303632241 622340 a-Alanine, conf. II
363351.6085 1.4645 -4.2573 3 249.3323291 89503 303482325 472226 a-Alanine, conf. II
363364.7432 8.3564 -3.3037 3 500.2145387 89503 303644123 634122 a-Alanine, conf. II
363364.7432 8.3564 -3.3037 3 500.2145387 89503 303644124 634123 a-Alanine, conf. II
363456.1760 17.2510 -2.9762 3 469.1272447 89503 30374 767 73 766 a-Alanine, conf. II
363456.1760 17.2510 -4.1257 3 469.1272447 89503 30374 767 73 866 a-Alanine, conf. II
363456.1760 17.2510 -4.1257 3 469.1272447 89503 30374 867 73 766 a-Alanine, conf. II
363456.1760 17.2510 -2.9762 3 469.1272447 89503 30374 867 73 866 a-Alanine, conf. II
363498.0855 10.3201 -4.6075 3 416.1144381 89503 303632340 622439 a-Alanine, conf. II
363511.6441 1.1311 -4.3178 3 149.7080225 89503 303372017 361818 a-Alanine, conf. II
363574.0252 1.1273 -4.3177 3 149.7059225 89503 303372018 361819 a-Alanine, conf. II
363578.1203 61.6196 -2.9399 3 476.7366477 89503 30379 079 78 078 a-Alanine, conf. II
363578.1203 61.6196 -4.0353 3 476.7366477 89503 30379 079 78 178 a-Alanine, conf. II
363578.1203 61.6196 -4.0353 3 476.7366477 89503 30379 179 78 078 a-Alanine, conf. II
363578.1203 61.6196 -2.9399 3 476.7366477 89503 30379 179 78 178 a-Alanine, conf. II
363624.7583 10.7729 -2.9197 3 381.0795363 89503 303602436 592435 a-Alanine, conf. II
363696.4152 7.1041 -4.5790 3 242.0686291 89503 303482028 471929 a-Alanine, conf. II
363702.5623 8.4389 -3.0730 3 439.1027381 89503 303633133 623132 a-Alanine, conf. II
363703.3590 8.4418 -3.0730 3 439.1027381 89503 303633132 623131 a-Alanine, conf. II
363760.0311 8.3452 -3.2766 3 494.5569387 89503 303644024 634023 a-Alanine, conf. II
363760.0311 8.3452 -3.2766 3 494.5569387 89503 303644025 634024 a-Alanine, conf. II
363765.0374 3.9886 -3.8783 3 217.5073237 89503 3033934 5 3833 6 a-Alanine, conf. II
363765.0374 3.9886 -3.8783 3 217.5073237 89503 3033934 6 3833 5 a-Alanine, conf. II
363827.2757 5.5117 -4.3000 3 441.8804405 89503 303671750 661849 a-Alanine, conf. II
363827.2760 5.5117 -2.9945 3 441.8804405 89503 303671850 661849 a-Alanine, conf. II
363827.2764 5.5117 -2.9945 3 441.8804405 89503 303671750 661749 a-Alanine, conf. II
363827.2767 5.5117 -4.3000 3 441.8804405 89503 303671850 661749 a-Alanine, conf. II
363835.6110 1.8041 -4.5456 3 128.3748201 89503 303332211 322012 a-Alanine, conf. II
363835.6141 1.8041 -4.5456 3 128.3748201 89503 303332212 322013 a-Alanine, conf. II
363851.6620 5.0853 -4.0159 3 210.5227273 89503 303451827 441628 a-Alanine, conf. II
363947.4355 9.5322 -2.9874 3 464.4422435 89503 303721062 711061 a-Alanine, conf. II
363947.4355 9.5322 -4.1694 3 464.4422435 89503 303721062 711161 a-Alanine, conf. II
363947.4355 9.5322 -4.1694 3 464.4422435 89503 303721162 711061 a-Alanine, conf. II
363947.4355 9.5322 -2.9874 3 464.4422435 89503 303721162 711161 a-Alanine, conf. II
364127.6709 3.6103 -2.9714 3 413.1177381 89503 303632341 622340 a-Alanine, conf. II
364135.5143 2.3728 -4.3535 3 256.1103297 89503 303492227 482128 a-Alanine, conf. II
364142.8184 10.9924 -2.9940 3 412.6954375 89503 303622735 612734 a-Alanine, conf. II
364191.7039 8.3475 -3.2506 3 489.0603387 89503 303643925 633924 a-Alanine, conf. II
364191.7039 8.3475 -3.2506 3 489.0603387 89503 303643926 633925 a-Alanine, conf. II
364206.9054 13.4804 -4.5961 3 353.8866351 89503 303582336 572235 a-Alanine, conf. II
364228.8541 37.9589 -2.9588 3 476.4527465 89503 30377 374 76 373 a-Alanine, conf. II
364228.8541 37.9589 -4.0744 3 476.4527465 89503 30377 374 76 473 a-Alanine, conf. II
364228.8541 37.9589 -4.0744 3 476.4527465 89503 30377 474 76 373 a-Alanine, conf. II
364228.8541 37.9589 -2.9588 3 476.4527465 89503 30377 474 76 473 a-Alanine, conf. II
364395.8580 1.9528 -3.9967 3 226.4494261 89503 303432914 422815 a-Alanine, conf. II
364395.8580 1.9528 -3.9967 3 226.4494261 89503 303432915 422814 a-Alanine, conf. II
364397.3095 1.4167 -4.4237 3 138.4966213 89503 303352114 341915 a-Alanine, conf. II
364397.9730 1.4166 -4.4237 3 138.4966213 89503 303352115 341916 a-Alanine, conf. II
364444.5337 6.7056 -2.9947 3 457.8357423 89503 303701357 691356 a-Alanine, conf. II
364444.5337 6.7056 -4.2185 3 457.8357423 89503 303701357 691456 a-Alanine, conf. II
364444.5337 6.7056 -4.2185 3 457.8357423 89503 303701457 691356 a-Alanine, conf. II
364444.5337 6.7056 -2.9947 3 457.8357423 89503 303701457 691456 a-Alanine, conf. II
364464.5696 3.9661 -4.4389 3 421.9065387 89503 303642143 632242 a-Alanine, conf. II
364517.5944 3.9826 -2.9806 3 421.9065387 89503 303642243 632242 a-Alanine, conf. II
364578.3810 4.0015 -2.9805 3 421.9027387 89503 303642143 632142 a-Alanine, conf. II
364631.4058 4.0246 -4.4385 3 421.9027387 89503 303642243 632142 a-Alanine, conf. II
364653.5378 22.7116 -4.7212 3 431.3080387 89503 303642440 632539 a-Alanine, conf. II
364664.9509 8.3653 -3.2256 3 483.7265387 89503 303643826 633825 a-Alanine, conf. II
364664.9509 8.3653 -3.2256 3 483.7265387 89503 303643827 633826 a-Alanine, conf. II
364665.3831 8.1920 -2.9792 3 409.6255375 89503 303622637 612636 a-Alanine, conf. II
364723.0543 5.1753 -4.4691 3 253.7430297 89503 303492128 482029 a-Alanine, conf. II
364795.6036 21.7039 -2.9745 3 474.2904453 89503 30375 669 74 668 a-Alanine, conf. II
364795.6036 21.7039 -4.1144 3 474.2904453 89503 30375 669 74 768 a-Alanine, conf. II
364795.6036 21.7039 -4.1144 3 474.2904453 89503 30375 769 74 668 a-Alanine, conf. II
364795.6036 21.7039 -2.9745 3 474.2904453 89503 30375 769 74 768 a-Alanine, conf. II
364808.2130 0.9851 -4.1913 3 169.7137243 89503 303401922 391723 a-Alanine, conf. II
364815.3271 11.1907 -4.6463 3 675.2647393 89503 3036563 2 6463 1 a-Alanine, conf. II
364815.3271 11.1907 -4.6463 3 675.2647393 89503 3036563 3 6463 2 a-Alanine, conf. II
364883.5464 3.6898 -2.9693 3 413.0664381 89503 303632241 622240 a-Alanine, conf. II
364887.5720 8.7690 -3.0532 3 435.1828381 89503 303633034 623033 a-Alanine, conf. II
364894.3044 6.2305 -2.9674 3 406.7827375 89503 303622538 612537 a-Alanine, conf. II
364894.6114 8.7924 -3.0532 3 435.1830381 89503 303633033 623032 a-Alanine, conf. II
364912.9968 11.0259 -4.4548 3 666.2972393 89503 3036562 3 6462 2 a-Alanine, conf. II
364912.9968 11.0259 -4.4548 3 666.2972393 89503 3036562 4 6462 3 a-Alanine, conf. II
365016.1573 10.8668 -4.3146 3 657.4760393 89503 3036561 4 6461 3 a-Alanine, conf. II
365016.1573 10.8668 -4.3146 3 657.4760393 89503 3036561 5 6461 4 a-Alanine, conf. II
365049.7026 3.4895 -3.8999 3 220.2070243 89503 3034033 7 3932 8 a-Alanine, conf. II
365049.7026 3.4895 -3.8999 3 220.2070243 89503 3034033 8 3932 7 a-Alanine, conf. II
365062.9860 5.9199 -4.2774 3 449.2387411 89503 303681652 671751 a-Alanine, conf. II
365062.9861 5.9199 -2.9973 3 449.2387411 89503 303681652 671651 a-Alanine, conf. II
365062.9861 5.9199 -4.2774 3 449.2387411 89503 303681752 671651 a-Alanine, conf. II
365062.9861 5.9199 -2.9973 3 449.2387411 89503 303681752 671751 a-Alanine, conf. II
365125.1803 10.7135 -4.2029 3 648.8014393 89503 3036560 5 6460 4 a-Alanine, conf. II
365125.1803 10.7135 -4.2029 3 648.8014393 89503 3036560 6 6460 5 a-Alanine, conf. II
365174.3204 4.4650 -4.3922 3 430.3548393 89503 303652045 642144 a-Alanine, conf. II
365177.0511 4.4668 -2.9880 3 430.3548393 89503 303652145 642144 a-Alanine, conf. II
365180.5652 4.4687 -2.9880 3 430.3546393 89503 303652045 642044 a-Alanine, conf. II
365183.2959 4.4705 -4.3922 3 430.3546393 89503 303652145 642044 a-Alanine, conf. II
365186.1045 8.4012 -3.2015 3 478.5582387 89503 303643727 633726 a-Alanine, conf. II
365186.1045 8.4012 -3.2015 3 478.5582387 89503 303643728 633727 a-Alanine, conf. II
365240.4712 10.5659 -4.1091 3 640.2736393 89503 3036559 6 6459 5 a-Alanine, conf. II
365240.4712 10.5659 -4.1091 3 640.2736393 89503 3036559 7 6459 6 a-Alanine, conf. II
365301.3582 11.8244 -2.9868 3 470.2433441 89503 30373 964 72 963 a-Alanine, conf. II
365301.3582 11.8244 -4.1566 3 470.2433441 89503 30373 964 721063 a-Alanine, conf. II
365301.3582 11.8244 -4.1566 3 470.2433441 89503 303731064 72 963 a-Alanine, conf. II
365301.3582 11.8244 -2.9868 3 470.2433441 89503 303731064 721063 a-Alanine, conf. II
365362.4738 10.4241 -4.0280 3 631.8928393 89503 3036558 7 6458 6 a-Alanine, conf. II
365362.4738 10.4241 -4.0280 3 631.8928393 89503 3036558 8 6458 7 a-Alanine, conf. II
365471.6331 5.6177 -3.8246 3 218.2584225 89503 3033737 0 3636 1 a-Alanine, conf. II
365471.6331 5.6177 -3.8246 3 218.2584225 89503 3033737 1 3636 0 a-Alanine, conf. II
365491.6742 10.2882 -3.9561 3 623.6594393 89503 3036557 8 6457 7 a-Alanine, conf. II
365491.6742 10.2882 -3.9561 3 623.6594393 89503 3036557 9 6457 8 a-Alanine, conf. II
365517.0793 1.6721 -4.0281 3 230.7741267 89503 303442816 432717 a-Alanine, conf. II
365517.0793 1.6721 -4.0281 3 230.7741267 89503 303442817 432716 a-Alanine, conf. II
365529.9110 46.0160 -2.9558 3 480.7868471 89503 30378 276 77 275 a-Alanine, conf. II
365529.9110 46.0160 -4.0642 3 480.7868471 89503 30378 276 77 375 a-Alanine, conf. II
365529.9110 46.0160 -4.0642 3 480.7868471 89503 30378 376 77 275 a-Alanine, conf. II
365529.9110 46.0160 -2.9558 3 480.7868471 89503 30378 376 77 375 a-Alanine, conf. II
365562.4179 3.0371 -2.9318 3 391.3751369 89503 303612338 602337 a-Alanine, conf. II
365628.6064 10.1583 -3.8913 3 615.5737393 89503 3036556 9 6456 8 a-Alanine, conf. II
365628.6064 10.1583 -3.8913 3 615.5737393 89503 303655610 6456 9 a-Alanine, conf. II
365663.6206 4.3079 -4.5022 3 413.0664381 89503 303632341 622240 a-Alanine, conf. II
365763.0126 8.4589 -3.1782 3 473.5582387 89503 303643628 633627 a-Alanine, conf. II
365763.0126 8.4589 -3.1782 3 473.5582387 89503 303643629 633628 a-Alanine, conf. II
365773.8586 10.0344 -3.8323 3 607.6361393 89503 303655510 6455 9 a-Alanine, conf. II
365773.8586 10.0344 -3.8323 3 607.6361393 89503 303655511 645510 a-Alanine, conf. II
365789.1466 7.4491 -2.9953 3 464.2880429 89503 303711259 701258 a-Alanine, conf. II
365789.1466 7.4491 -4.2032 3 464.2880429 89503 303711259 701358 a-Alanine, conf. II
365789.1466 7.4491 -4.2032 3 464.2880429 89503 303711359 701258 a-Alanine, conf. II
365789.1466 7.4491 -2.9953 3 464.2880429 89503 303711359 701358 a-Alanine, conf. II
365928.0797 9.9166 -3.7780 3 599.8467393 89503 303655411 645410 a-Alanine, conf. II
365928.0797 9.9166 -3.7780 3 599.8467393 89503 303655412 645411 a-Alanine, conf. II
366085.3807 2.7220 -4.8143 3 116.6404183 89503 3033024 6 2922 7 a-Alanine, conf. II
366085.3807 2.7220 -4.8143 3 116.6404183 89503 3033024 7 2922 8 a-Alanine, conf. II
366090.5100 0.5645 -4.3649 3 149.2212237 89503 303391227 381028 a-Alanine, conf. II
366091.9878 9.8051 -3.7275 3 592.2062393 89503 303655312 645311 a-Alanine, conf. II
366091.9878 9.8051 -3.7275 3 592.2062393 89503 303655313 645312 a-Alanine, conf. II
366094.6274 4.9855 -4.3563 3 438.5033399 89503 303661947 652046 a-Alanine, conf. II
366094.7390 4.9856 -2.9938 3 438.5033399 89503 303662047 652046 a-Alanine, conf. II
366094.8963 4.9857 -2.9938 3 438.5033399 89503 303661947 651946 a-Alanine, conf. II
366095.0080 4.9858 -4.3563 3 438.5033399 89503 303662047 651946 a-Alanine, conf. II
366101.2048 1.5834 -4.1973 3 171.3240249 89503 303411626 401427 a-Alanine, conf. II
366125.9040 27.0619 -2.9725 3 479.2573459 89503 30376 571 75 570 a-Alanine, conf. II
366125.9040 27.0619 -4.1035 3 479.2573459 89503 30376 571 75 670 a-Alanine, conf. II
366125.9040 27.0619 -4.1035 3 479.2573459 89503 30376 671 75 570 a-Alanine, conf. II
366125.9040 27.0619 -2.9725 3 479.2573459 89503 30376 671 75 670 a-Alanine, conf. II
366198.1570 0.5614 -4.3647 3 149.2212237 89503 303391327 381128 a-Alanine, conf. II
366266.3798 9.7000 -3.6805 3 584.7148393 89503 303655213 645212 a-Alanine, conf. II
366266.3798 9.7000 -3.6805 3 584.7148393 89503 303655214 645213 a-Alanine, conf. II
366302.2452 9.2043 -3.0337 3 431.4777381 89503 303632935 622934 a-Alanine, conf. II
366318.0431 3.0280 -3.9230 3 223.2615249 89503 3034132 9 403110 a-Alanine, conf. II
366318.0431 3.0280 -3.9230 3 223.2615249 89503 303413210 4031 9 a-Alanine, conf. II
366345.8656 6.2975 -2.9996 3 456.3719417 89503 303691554 681553 a-Alanine, conf. II
366345.8656 6.2975 -4.2575 3 456.3719417 89503 303691554 681653 a-Alanine, conf. II
366345.8656 6.2975 -4.2575 3 456.3719417 89503 303691654 681553 a-Alanine, conf. II
366345.8656 6.2975 -2.9996 3 456.3719417 89503 303691654 681653 a-Alanine, conf. II
366356.2171 9.3648 -3.0336 3 431.4790381 89503 303632934 622933 a-Alanine, conf. II
366405.5848 8.5432 -3.1557 3 468.7298387 89503 303643530 633529 a-Alanine, conf. II
366405.5849 8.5432 -3.1557 3 468.7298387 89503 303643529 633528 a-Alanine, conf. II
366425.0754 3.4043 -3.9581 3 221.2059279 89503 303461927 451728 a-Alanine, conf. II
366452.1430 9.6014 -3.6363 3 577.3731393 89503 303655114 645113 a-Alanine, conf. II
366452.1430 9.6014 -3.6363 3 577.3731393 89503 303655115 645114 a-Alanine, conf. II
366546.8924 1.4659 -4.0632 3 235.4890273 89503 303452719 442618 a-Alanine, conf. II
366546.8929 1.4659 -4.0632 3 235.4890273 89503 303452718 442619 a-Alanine, conf. II
366650.2681 9.5095 -3.5946 3 570.1815393 89503 303655015 645014 a-Alanine, conf. II
366650.2681 9.5095 -3.5946 3 570.1815393 89503 303655016 645015 a-Alanine, conf. II
366651.2985 14.8787 -2.9859 3 475.8458447 89503 30374 866 73 865 a-Alanine, conf. II
366651.2985 14.8787 -4.1446 3 475.8458447 89503 30374 866 73 965 a-Alanine, conf. II
366651.2985 14.8787 -4.1446 3 475.8458447 89503 30374 966 73 865 a-Alanine, conf. II
366651.2985 14.8787 -2.9859 3 475.8458447 89503 30374 966 73 965 a-Alanine, conf. II
366674.0548 14.6192 -2.9429 3 395.1998369 89503 303612536 602535 a-Alanine, conf. II
366776.2226 5.0095 -3.8430 3 220.1082231 89503 3033836 2 3735 3 a-Alanine, conf. II
366776.2226 5.0095 -3.8430 3 220.1082231 89503 3033836 3 3735 2 a-Alanine, conf. II
366818.5854 55.2505 -2.9526 3 484.9242477 89503 30379 178 78 177 a-Alanine, conf. II
366818.5854 55.2505 -4.0542 3 484.9242477 89503 30379 178 78 277 a-Alanine, conf. II
366818.5854 55.2505 -4.0542 3 484.9242477 89503 30379 278 78 177 a-Alanine, conf. II
366818.5854 55.2505 -2.9526 3 484.9242477 89503 30379 278 78 277 a-Alanine, conf. II
366861.8656 9.4246 -3.5552 3 563.1408393 89503 303654916 644915 a-Alanine, conf. II
366861.8656 9.4246 -3.5552 3 563.1408393 89503 303654917 644916 a-Alanine, conf. II
367088.1850 9.3469 -3.5179 3 556.2514393 89503 303654817 644816 a-Alanine, conf. II
367088.1850 9.3469 -3.5179 3 556.2514393 89503 303654818 644817 a-Alanine, conf. II
367126.6193 8.6612 -3.1340 3 464.0773387 89503 303643431 633430 a-Alanine, conf. II
367126.6209 8.6612 -3.1340 3 464.0773387 89503 303643430 633429 a-Alanine, conf. II
367140.2526 8.6287 -2.9956 3 470.5360435 89503 303721161 711160 a-Alanine, conf. II
367140.2526 8.6287 -4.1891 3 470.5360435 89503 303721161 711260 a-Alanine, conf. II
367140.2526 8.6287 -4.1891 3 470.5360435 89503 303721261 711160 a-Alanine, conf. II
367140.2526 8.6287 -2.9956 3 470.5360435 89503 303721261 711260 a-Alanine, conf. II
367174.0504 5.4949 -4.3269 3 446.3836405 89503 303671849 661948 a-Alanine, conf. II
367174.0541 5.4949 -2.9984 3 446.3836405 89503 303671949 661948 a-Alanine, conf. II
367174.0598 5.4949 -2.9984 3 446.3836405 89503 303671849 661848 a-Alanine, conf. II
367174.0635 5.4949 -4.3269 3 446.3836405 89503 303671949 661848 a-Alanine, conf. II
367330.6382 9.2767 -3.4823 3 549.5140393 89503 303654718 644717 a-Alanine, conf. II
367330.6382 9.2767 -3.4823 3 549.5140393 89503 303654719 644718 a-Alanine, conf. II
367414.6253 4.9338 -4.1011 3 199.9121267 89503 303441727 431528 a-Alanine, conf. II
367440.1105 1.3538 -4.1032 3 240.6093279 89503 303462621 452520 a-Alanine, conf. II
367440.1425 1.3538 -4.1032 3 240.6093279 89503 303462620 452521 a-Alanine, conf. II
367445.9465 33.3946 -2.9703 3 484.0279465 89503 30377 473 76 472 a-Alanine, conf. II
367445.9465 33.3946 -4.0931 3 484.0279465 89503 30377 473 76 572 a-Alanine, conf. II
367445.9465 33.3946 -4.0931 3 484.0279465 89503 30377 573 76 472 a-Alanine, conf. II
367445.9465 33.3946 -2.9703 3 484.0279465 89503 30377 573 76 572 a-Alanine, conf. II
367562.5391 2.6065 -3.9479 3 226.6759255 89503 303423111 413012 a-Alanine, conf. II
367562.5391 2.6065 -3.9479 3 226.6759255 89503 303423112 413011 a-Alanine, conf. II
367590.8281 9.2145 -3.4484 3 542.9296393 89503 303654619 644618 a-Alanine, conf. II
367590.8281 9.2145 -3.4484 3 542.9296393 89503 303654620 644619 a-Alanine, conf. II
367659.3992 6.7018 -3.0013 3 463.2878423 89503 303701456 691455 a-Alanine, conf. II
367659.3992 6.7018 -4.2398 3 463.2878423 89503 303701456 691555 a-Alanine, conf. II
367659.3992 6.7018 -4.2398 3 463.2878423 89503 303701556 691455 a-Alanine, conf. II
367659.3992 6.7018 -3.0013 3 463.2878423 89503 303701556 691555 a-Alanine, conf. II
367718.5537 1.1252 -4.2849 3 156.8698231 89503 303382018 371819 a-Alanine, conf. II
367775.7794 2.2064 -4.6374 3 125.1556195 89503 3033223 9 312110 a-Alanine, conf. II
367775.7795 2.2064 -4.6374 3 125.1556195 89503 303322310 312111 a-Alanine, conf. II
367788.1392 1.4320 -4.2814 3 258.6848297 89503 303492327 482226 a-Alanine, conf. II
367837.6072 4.0543 -2.9697 3 416.1144381 89503 303632440 622439 a-Alanine, conf. II
367870.5834 9.1607 -3.4160 3 536.4989393 89503 303654520 644519 a-Alanine, conf. II
367870.5834 9.1607 -3.4160 3 536.4989393 89503 303654521 644520 a-Alanine, conf. II
367875.5737 1.1160 -4.2846 3 156.8644231 89503 303382019 371820 a-Alanine, conf. II
367943.1111 8.8229 -3.1129 3 459.6059387 89503 303643332 633331 a-Alanine, conf. II
367943.1306 8.8230 -3.1129 3 459.6059387 89503 303643331 633330 a-Alanine, conf. II
367974.0494 9.6433 -3.0145 3 428.0044381 89503 303632836 622835 a-Alanine, conf. II
367995.0381 18.7564 -2.9847 3 481.2508453 89503 30375 768 74 767 a-Alanine, conf. II
367995.0381 18.7564 -4.1332 3 481.2508453 89503 30375 768 74 867 a-Alanine, conf. II
367995.0381 18.7564 -4.1332 3 481.2508453 89503 30375 868 74 767 a-Alanine, conf. II
367995.0381 18.7564 -2.9847 3 481.2508453 89503 30375 868 74 867 a-Alanine, conf. II
368036.1605 8.0790 -4.7042 3 230.6463285 89503 303471928 461829 a-Alanine, conf. II
368075.3916 4.4383 -3.8624 3 222.3042237 89503 3033935 4 3834 5 a-Alanine, conf. II
368075.3916 4.4383 -3.8624 3 222.3042237 89503 3033935 5 3834 4 a-Alanine, conf. II
368077.8575 4.0129 -4.4922 3 425.2636387 89503 303642242 632341 a-Alanine, conf. II
368094.4368 65.7562 -2.9491 3 488.8643483 89503 30380 080 79 079 a-Alanine, conf. II
368094.4368 65.7562 -4.0445 3 488.8643483 89503 30380 080 79 179 a-Alanine, conf. II
368094.4368 65.7562 -4.0445 3 488.8643483 89503 30380 180 79 079 a-Alanine, conf. II
368094.4368 65.7562 -2.9491 3 488.8643483 89503 30380 180 79 179 a-Alanine, conf. II
368099.0431 0.3745 -4.5068 3 136.9427231 89503 303381028 37 829 a-Alanine, conf. II
368101.2956 0.3746 -4.5068 3 136.9427231 89503 303381128 37 929 a-Alanine, conf. II
368121.0254 1.3463 -4.1498 3 246.1562285 89503 303472523 462422 a-Alanine, conf. II
368122.2766 1.3467 -4.1498 3 246.1562285 89503 303472522 462423 a-Alanine, conf. II
368172.0030 9.1160 -3.3850 3 530.2228393 89503 303654421 644420 a-Alanine, conf. II
368172.0030 9.1160 -3.3850 3 530.2228393 89503 303654422 644421 a-Alanine, conf. II
368324.0063 10.5597 -3.0137 3 428.0146381 89503 303632835 622834 a-Alanine, conf. II
368354.4799 5.9630 -4.3022 3 454.0164411 89503 303681751 671850 a-Alanine, conf. II
368354.4800 5.9630 -3.0021 3 454.0164411 89503 303681851 671850 a-Alanine, conf. II
368354.4802 5.9630 -3.0021 3 454.0164411 89503 303681751 671750 a-Alanine, conf. II
368354.4803 5.9630 -4.3022 3 454.0164411 89503 303681851 671750 a-Alanine, conf. II
368383.0295 3.7890 -2.9463 3 403.5689375 89503 303622339 612338 a-Alanine, conf. II
368387.3591 0.5883 -4.6872 3 124.6546225 89503 30337 829 36 630 a-Alanine, conf. II
368387.3848 0.5883 -4.6872 3 124.6546225 89503 30337 929 36 730 a-Alanine, conf. II
368435.7573 1.4241 -4.2065 3 252.1616291 89503 303482425 472324 a-Alanine, conf. II
368463.8239 3.9240 -2.9794 3 425.2636387 89503 303642342 632341 a-Alanine, conf. II
368466.6717 13.5663 -4.5959 3 342.3800345 89503 303572335 562234 a-Alanine, conf. II
368470.8351 1.4372 -4.2064 3 252.1606291 89503 303482424 472325 a-Alanine, conf. II
368471.9051 1.6983 -4.2801 3 258.6674297 89503 303492326 482227 a-Alanine, conf. II
368493.1829 10.4081 -2.9956 3 476.5822441 89503 303731063 721062 a-Alanine, conf. II
368493.1829 10.4081 -4.1760 3 476.5822441 89503 303731063 721162 a-Alanine, conf. II
368493.1829 10.4081 -4.1760 3 476.5822441 89503 303731163 721062 a-Alanine, conf. II
368493.1829 10.4081 -2.9956 3 476.5822441 89503 303731163 721162 a-Alanine, conf. II
368497.5104 9.0810 -3.3553 3 524.1027393 89503 303654322 644321 a-Alanine, conf. II
368497.5104 9.0810 -3.3553 3 524.1027393 89503 303654323 644322 a-Alanine, conf. II
368754.8393 40.7788 -2.9678 3 488.6021471 89503 30378 375 77 374 a-Alanine, conf. II
368754.8393 40.7788 -4.0830 3 488.6021471 89503 30378 375 77 474 a-Alanine, conf. II
368754.8393 40.7788 -4.0830 3 488.6021471 89503 30378 475 77 374 a-Alanine, conf. II
368754.8393 40.7788 -2.9678 3 488.6021471 89503 30378 475 77 474 a-Alanine, conf. II
368765.1931 14.9693 -2.9685 3 409.7934375 89503 303622636 612635 a-Alanine, conf. II
368772.6329 2.2297 -3.9748 3 230.4560261 89503 303433013 422914 a-Alanine, conf. II
368772.6329 2.2297 -3.9748 3 230.4560261 89503 303433014 422913 a-Alanine, conf. II
368849.9245 9.0567 -3.3268 3 518.1396393 89503 303654223 644222 a-Alanine, conf. II
368849.9245 9.0567 -3.3268 3 518.1396393 89503 303654224 644223 a-Alanine, conf. II
368857.9316 3.9835 -2.9784 3 425.2376387 89503 303642242 632241 a-Alanine, conf. II
368865.7254 4.3547 -4.4320 3 434.0655393 89503 303652144 642243 a-Alanine, conf. II
368878.3932 9.0437 -3.0924 3 455.3222387 89503 303643233 633232 a-Alanine, conf. II
368878.6020 9.0446 -3.0924 3 455.3222387 89503 303643232 633231 a-Alanine, conf. II
368890.0086 4.3655 -2.9886 3 434.0655393 89503 303652244 642243 a-Alanine, conf. II
368918.7502 4.3770 -2.9885 3 434.0637393 89503 303652144 642143 a-Alanine, conf. II
368934.9629 1.5506 -4.1306 3 183.5358255 89503 303421825 411626 a-Alanine, conf. II
368936.9204 1.7536 -4.5003 3 134.6637207 89503 303342212 332013 a-Alanine, conf. II
368936.9324 1.7536 -4.5003 3 134.6637207 89503 303342213 332014 a-Alanine, conf. II
368943.0335 4.3892 -4.4318 3 434.0637393 89503 303652244 642143 a-Alanine, conf. II
368992.2692 7.2421 -3.0026 3 469.9923429 89503 303711358 701357 a-Alanine, conf. II
368992.2692 7.2421 -4.2238 3 469.9923429 89503 303711358 701457 a-Alanine, conf. II
368992.2692 7.2421 -4.2238 3 469.9923429 89503 303711458 701357 a-Alanine, conf. II
368992.2692 7.2421 -3.0026 3 469.9923429 89503 303711458 701457 a-Alanine, conf. II
369121.2037 1.0447 -4.1641 3 177.5385249 89503 303411923 401724 a-Alanine, conf. II
369202.5873 1.3796 -4.3856 3 145.2092219 89503 303362115 351916 a-Alanine, conf. II
369204.6318 1.3794 -4.3856 3 145.2092219 89503 303362116 351917 a-Alanine, conf. II
369232.5496 9.0442 -3.2994 3 512.3350393 89503 303654124 644123 a-Alanine, conf. II
369232.5496 9.0442 -3.2994 3 512.3350393 89503 303654125 644124 a-Alanine, conf. II
369243.8981 4.2128 -4.4891 3 425.2376387 89503 303642342 632241 a-Alanine, conf. II
369330.8434 23.5161 -2.9832 3 486.4587459 89503 30376 670 75 669 a-Alanine, conf. II
369330.8434 23.5161 -4.1224 3 486.4587459 89503 30376 670 75 769 a-Alanine, conf. II
369330.8434 23.5161 -4.1224 3 486.4587459 89503 30376 770 75 669 a-Alanine, conf. II
369330.8434 23.5161 -2.9832 3 486.4587459 89503 30376 770 75 769 a-Alanine, conf. II
369365.9278 3.9042 -3.8832 3 224.8494243 89503 3034034 6 3933 7 a-Alanine, conf. II
369365.9278 3.9042 -3.8832 3 224.8494243 89503 3034034 7 3933 6 a-Alanine, conf. II
369600.1763 6.3821 -3.0052 3 461.4159417 89503 303691653 681652 a-Alanine, conf. II
369600.1763 6.3821 -4.2808 3 461.4159417 89503 303691653 681752 a-Alanine, conf. II
369600.1763 6.3821 -4.2808 3 461.4159417 89503 303691753 681652 a-Alanine, conf. II
369600.1763 6.3821 -3.0052 3 461.4159417 89503 303691753 681752 a-Alanine, conf. II
369619.4834 4.8852 -4.3894 3 442.5358399 89503 303662046 652145 a-Alanine, conf. II
369620.6621 4.8861 -2.9958 3 442.5358399 89503 303662146 652145 a-Alanine, conf. II
369622.2142 4.8871 -2.9958 3 442.5357399 89503 303662046 652045 a-Alanine, conf. II
369623.3928 4.8880 -4.3894 3 442.5357399 89503 303662146 652045 a-Alanine, conf. II
369649.2954 9.0450 -3.2730 3 506.6906393 89503 303654025 644024 a-Alanine, conf. II
369649.2954 9.0450 -3.2730 3 506.6906393 89503 303654026 644025 a-Alanine, conf. II
369729.9939 9.6018 -2.9960 3 424.7786381 89503 303632737 622736 a-Alanine, conf. II
369844.4096 12.9070 -2.9953 3 482.4284447 89503 30374 965 73 964 a-Alanine, conf. II
369844.4096 12.9070 -4.1638 3 482.4284447 89503 30374 965 731064 a-Alanine, conf. II
369844.4096 12.9070 -4.1638 3 482.4284447 89503 303741065 73 964 a-Alanine, conf. II
369844.4096 12.9070 -2.9953 3 482.4284447 89503 303741065 731064 a-Alanine, conf. II
369850.5164 0.9143 -4.3057 3 158.9733243 89503 303401327 391128 a-Alanine, conf. II
369933.2661 1.9063 -4.0043 3 234.6093267 89503 303442915 432816 a-Alanine, conf. II
369933.2661 1.9063 -4.0043 3 234.6093267 89503 303442916 432815 a-Alanine, conf. II
369965.5637 9.3466 -3.0725 3 451.2345387 89503 303643134 633133 a-Alanine, conf. II
369967.5401 9.3541 -3.0725 3 451.2345387 89503 303643133 633132 a-Alanine, conf. II
370036.5483 7.2054 -4.5712 3 428.3842387 89503 303642341 632440 a-Alanine, conf. II
370051.8830 49.2984 -2.9651 3 492.9796477 89503 30379 277 78 276 a-Alanine, conf. II
370051.8830 49.2984 -4.0732 3 492.9796477 89503 30379 277 78 376 a-Alanine, conf. II
370051.8830 49.2984 -4.0732 3 492.9796477 89503 30379 377 78 276 a-Alanine, conf. II
370051.8830 49.2984 -2.9651 3 492.9796477 89503 30379 377 78 376 a-Alanine, conf. II
370104.8351 9.0611 -3.2476 3 501.2084393 89503 303653926 643925 a-Alanine, conf. II
370104.8351 9.0611 -3.2476 3 501.2084393 89503 303653927 643926 a-Alanine, conf. II
370167.1208 8.5277 -2.9197 3 393.2087369 89503 303612437 602436 a-Alanine, conf. II
370252.3609 0.8833 -4.3049 3 158.9737243 89503 303401427 391228 a-Alanine, conf. II
370336.4427 8.0784 -3.0036 3 476.4894435 89503 303721260 711259 a-Alanine, conf. II
370336.4427 8.0784 -4.2092 3 476.4894435 89503 303721260 711359 a-Alanine, conf. II
370336.4427 8.0784 -4.2092 3 476.4894435 89503 303721360 711259 a-Alanine, conf. II
370336.4427 8.0784 -3.0036 3 476.4894435 89503 303721360 711359 a-Alanine, conf. II
370354.9106 5.8420 -2.9716 3 418.9543381 89503 303632539 622538 a-Alanine, conf. II
370373.6020 11.9734 -4.6776 3 696.5442399 89503 3036664 2 6564 1 a-Alanine, conf. II
370373.6020 11.9734 -4.6776 3 696.5442399 89503 3036664 3 6564 2 a-Alanine, conf. II
370470.7092 11.8060 -4.4857 3 687.4336399 89503 3036663 3 6563 2 a-Alanine, conf. II
370470.7092 11.8060 -4.4857 3 687.4336399 89503 3036663 4 6563 3 a-Alanine, conf. II
370515.2171 3.5374 -4.3911 3 265.7055303 89503 303502228 492129 a-Alanine, conf. II
370573.2077 11.6443 -4.3452 3 678.4694399 89503 3036662 4 6562 3 a-Alanine, conf. II
370573.2077 11.6443 -4.3452 3 678.4694399 89503 3036662 5 6562 4 a-Alanine, conf. II
370582.3555 5.4321 -4.3560 3 450.7149405 89503 303671948 662047 a-Alanine, conf. II
370582.4014 5.4321 -3.0016 3 450.7149405 89503 303672048 662047 a-Alanine, conf. II
370582.4671 5.4322 -3.0016 3 450.7149405 89503 303671948 661947 a-Alanine, conf. II
370582.5130 5.4322 -4.3560 3 450.7149405 89503 303672048 661947 a-Alanine, conf. II
370604.8234 9.0948 -3.2232 3 495.8905393 89503 303653827 643826 a-Alanine, conf. II
370604.8234 9.0948 -3.2232 3 495.8905393 89503 303653828 643827 a-Alanine, conf. II
370643.4125 3.4078 -3.9052 3 227.7473249 89503 3034133 8 4032 9 a-Alanine, conf. II
370643.4125 3.4078 -3.9052 3 227.7473249 89503 3034133 9 4032 8 a-Alanine, conf. II
370657.3509 29.2215 -2.9815 3 491.4700465 89503 30377 572 76 571 a-Alanine, conf. II
370657.3509 29.2215 -4.1120 3 491.4700465 89503 30377 572 76 671 a-Alanine, conf. II
370657.3509 29.2215 -4.1120 3 491.4700465 89503 30377 672 76 571 a-Alanine, conf. II
370657.3509 29.2215 -2.9815 3 491.4700465 89503 30377 672 76 671 a-Alanine, conf. II
370681.4556 11.4884 -4.2331 3 669.6516399 89503 3036661 5 6561 4 a-Alanine, conf. II
370681.4556 11.4884 -4.2331 3 669.6516399 89503 3036661 6 6561 5 a-Alanine, conf. II
370769.1262 1.8883 -4.1550 3 181.4051255 89503 303421726 411527 a-Alanine, conf. II
370795.8434 11.3384 -4.1390 3 660.9806399 89503 3036660 6 6560 5 a-Alanine, conf. II
370795.8434 11.3384 -4.1390 3 660.9806399 89503 3036660 7 6560 6 a-Alanine, conf. II
370874.8954 8.2716 -2.9806 3 421.7894381 89503 303632638 622637 a-Alanine, conf. II
370888.6027 6.7767 -3.0076 3 468.5919423 89503 303701555 691554 a-Alanine, conf. II
370888.6027 6.7767 -4.2619 3 468.5919423 89503 303701555 691654 a-Alanine, conf. II
370888.6027 6.7767 -4.2619 3 468.5919423 89503 303701655 691554 a-Alanine, conf. II
370888.6027 6.7767 -3.0076 3 468.5919423 89503 303701655 691654 a-Alanine, conf. II
370916.7978 11.1943 -4.0575 3 652.4567399 89503 3036659 7 6559 6 a-Alanine, conf. II
370916.7978 11.1943 -4.0575 3 652.4567399 89503 3036659 8 6559 7 a-Alanine, conf. II
371022.4584 1.6503 -4.0369 3 239.1454273 89503 303452818 442717 a-Alanine, conf. II
371022.4585 1.6503 -4.0369 3 239.1454273 89503 303452817 442718 a-Alanine, conf. II
371044.7854 11.0562 -3.9853 3 644.0800399 89503 3036658 8 6558 7 a-Alanine, conf. II
371044.7854 11.0562 -3.9853 3 644.0800399 89503 3036658 9 6558 8 a-Alanine, conf. II
371081.5778 5.5268 -3.8287 3 225.2051231 89503 3033837 1 3736 2 a-Alanine, conf. II
371081.5778 5.5268 -3.8287 3 225.2051231 89503 3033837 2 3736 1 a-Alanine, conf. II
371156.1988 9.1495 -3.1996 3 490.7395393 89503 303653728 643727 a-Alanine, conf. II
371156.1988 9.1495 -3.1996 3 490.7395393 89503 303653729 643728 a-Alanine, conf. II
371180.3180 10.9241 -3.9202 3 635.8509399 89503 3036657 9 6557 8 a-Alanine, conf. II
371180.3180 10.9241 -3.9202 3 635.8509399 89503 303665710 6557 9 a-Alanine, conf. II
371191.2255 16.2056 -2.9946 3 488.0760453 89503 30375 867 74 866 a-Alanine, conf. II
371191.2255 16.2056 -4.1523 3 488.0760453 89503 30375 867 74 966 a-Alanine, conf. II
371191.2255 16.2056 -4.1523 3 488.0760453 89503 30375 967 74 866 a-Alanine, conf. II
371191.2255 16.2056 -2.9946 3 488.0760453 89503 30375 967 74 966 a-Alanine, conf. II
371219.2741 4.1622 -2.9598 3 415.8569381 89503 303632340 622339 a-Alanine, conf. II
371251.2316 9.7592 -3.0529 3 447.3541387 89503 303643035 633034 a-Alanine, conf. II
371267.6496 9.8157 -3.0529 3 447.3545387 89503 303643034 633033 a-Alanine, conf. II
371323.9581 10.7982 -3.8608 3 627.7698399 89503 303665610 6556 9 a-Alanine, conf. II
371323.9581 10.7982 -3.8608 3 627.7698399 89503 303665611 655610 a-Alanine, conf. II
371336.5350 59.0437 -2.9621 3 497.1599483 89503 30380 179 79 178 a-Alanine, conf. II
371336.5350 59.0437 -4.0636 3 497.1599483 89503 30380 179 79 278 a-Alanine, conf. II
371336.5350 59.0437 -4.0636 3 497.1599483 89503 30380 279 79 178 a-Alanine, conf. II
371336.5350 59.0437 -2.9621 3 497.1599483 89503 30380 279 79 278 a-Alanine, conf. II
371451.0207 2.6615 -4.7454 3 122.3146189 89503 3033124 7 3022 8 a-Alanine, conf. II
371451.0207 2.6615 -4.7454 3 122.3146189 89503 3033124 8 3022 9 a-Alanine, conf. II
371476.3254 10.6785 -3.8061 3 619.8370399 89503 303665511 655510 a-Alanine, conf. II
371476.3254 10.6785 -3.8061 3 619.8370399 89503 303665512 655511 a-Alanine, conf. II
371542.3538 13.5602 -2.9916 3 424.8419381 89503 303632736 622735 a-Alanine, conf. II
371638.1041 10.5652 -3.7553 3 612.0528399 89503 303665412 655411 a-Alanine, conf. II
371638.1041 10.5652 -3.7553 3 612.0528399 89503 303665413 655412 a-Alanine, conf. II
371644.4867 1.1341 -4.2540 3 164.2478237 89503 303392019 381820 a-Alanine, conf. II
371686.0580 9.3943 -3.0041 3 482.7825441 89503 303731162 721161 a-Alanine, conf. II
371686.0580 9.3943 -4.1958 3 482.7825441 89503 303731162 721261 a-Alanine, conf. II
371686.0580 9.3943 -4.1958 3 482.7825441 89503 303731262 721161 a-Alanine, conf. II
371686.0580 9.3943 -3.0041 3 482.7825441 89503 303731262 721261 a-Alanine, conf. II
371687.2775 5.9591 -4.3285 3 458.6312411 89503 303681850 671949 a-Alanine, conf. II
371687.2789 5.9591 -3.0064 3 458.6312411 89503 303681950 671949 a-Alanine, conf. II
371687.2812 5.9591 -3.0064 3 458.6312411 89503 303681850 671849 a-Alanine, conf. II
371687.2827 5.9591 -4.3285 3 458.6312411 89503 303681950 671849 a-Alanine, conf. II
371763.7627 3.6629 -4.1622 3 189.4185261 89503 303431627 421428 a-Alanine, conf. II
371767.6191 9.2296 -3.1768 3 485.7587393 89503 303653629 643628 a-Alanine, conf. II
371767.6191 9.2296 -3.1768 3 485.7587393 89503 303653630 643629 a-Alanine, conf. II
371810.0523 10.4583 -3.7079 3 604.4177399 89503 303665313 655312 a-Alanine, conf. II
371810.0523 10.4583 -3.7079 3 604.4177399 89503 303665314 655313 a-Alanine, conf. II
371901.7522 2.9507 -3.9289 3 231.0020255 89503 303423210 413111 a-Alanine, conf. II
371901.7522 2.9507 -3.9289 3 231.0020255 89503 303423211 413110 a-Alanine, conf. II
371973.4855 35.9441 -2.9796 3 496.2846471 89503 30378 474 77 473 a-Alanine, conf. II
371973.4855 35.9441 -4.1019 3 496.2846471 89503 30378 474 77 573 a-Alanine, conf. II
371973.4855 35.9441 -4.1019 3 496.2846471 89503 30378 574 77 473 a-Alanine, conf. II
371973.4855 35.9441 -2.9796 3 496.2846471 89503 30378 574 77 573 a-Alanine, conf. II
371993.0117 10.3580 -3.6634 3 596.9321399 89503 303665214 655213 a-Alanine, conf. II
371993.0117 10.3580 -3.6634 3 596.9321399 89503 303665215 655214 a-Alanine, conf. II
372007.0451 1.4812 -4.0734 3 244.0768279 89503 303462720 452619 a-Alanine, conf. II
372007.0472 1.4812 -4.0734 3 244.0768279 89503 303462719 452620 a-Alanine, conf. II
372020.0660 1.1133 -4.2533 3 164.2349237 89503 303392020 381821 a-Alanine, conf. II
372168.2882 1.4491 -4.3089 3 268.2565303 89503 303502328 492227 a-Alanine, conf. II
372187.9202 10.2646 -3.6214 3 589.5966399 89503 303665115 655114 a-Alanine, conf. II
372187.9202 10.2646 -3.6214 3 589.5966399 89503 303665116 655115 a-Alanine, conf. II
372204.7805 7.2146 -3.0096 3 475.5516429 89503 303711457 701456 a-Alanine, conf. II
372204.7805 7.2146 -4.2450 3 475.5516429 89503 303711457 701556 a-Alanine, conf. II
372204.7805 7.2146 -4.2450 3 475.5516429 89503 303711557 701456 a-Alanine, conf. II
372204.7805 7.2146 -3.0096 3 475.5516429 89503 303711557 701556 a-Alanine, conf. II
372370.6625 4.1124 -2.9776 3 428.3842387 89503 303642441 632440 a-Alanine, conf. II
372383.4247 4.9194 -3.8475 3 227.2494237 89503 3033936 3 3835 4 a-Alanine, conf. II
372383.4247 4.9194 -3.8475 3 227.2494237 89503 3033936 4 3835 3 a-Alanine, conf. II
372395.8263 10.1782 -3.5816 3 582.4117399 89503 303665016 655015 a-Alanine, conf. II
372395.8263 10.1782 -3.5816 3 582.4117399 89503 303665017 655016 a-Alanine, conf. II
372450.1063 9.3412 -3.1548 3 480.9518393 89503 303653531 643530 a-Alanine, conf. II
372450.1066 9.3412 -3.1548 3 480.9518393 89503 303653530 643529 a-Alanine, conf. II
372531.5287 20.3656 -2.9937 3 493.5258459 89503 30376 769 75 768 a-Alanine, conf. II
372531.5287 20.3656 -4.1414 3 493.5258459 89503 30376 769 75 868 a-Alanine, conf. II
372531.5287 20.3656 -4.1414 3 493.5258459 89503 30376 869 75 768 a-Alanine, conf. II
372531.5287 20.3656 -2.9937 3 493.5258459 89503 30376 869 75 868 a-Alanine, conf. II
372600.7414 1.4684 -4.2532 3 168.9302249 89503 303411427 401228 a-Alanine, conf. II
372601.2539 4.2783 -4.4802 3 437.5543393 89503 303652243 642342 a-Alanine, conf. II
372608.3830 70.1108 -2.9588 3 501.1426489 89503 30381 081 80 080 a-Alanine, conf. II
372608.3830 70.1108 -4.0542 3 501.1426489 89503 30381 081 80 180 a-Alanine, conf. II
372608.3830 70.1108 -4.0542 3 501.1426489 89503 30381 181 80 080 a-Alanine, conf. II
372608.3830 70.1108 -2.9588 3 501.1426489 89503 30381 181 80 180 a-Alanine, conf. II
372617.9068 10.0991 -3.5439 3 575.3780399 89503 303664917 654916 a-Alanine, conf. II
372617.9068 10.0991 -3.5439 3 575.3780399 89503 303664918 654917 a-Alanine, conf. II
372787.4860 10.2701 -3.0336 3 443.6962387 89503 303642936 632935 a-Alanine, conf. II
372787.9662 4.2846 -2.9880 3 437.5543393 89503 303652343 642342 a-Alanine, conf. II
372834.4872 1.4167 -4.1151 3 249.4204285 89503 303472622 462521 a-Alanine, conf. II
372834.5868 1.4167 -4.1151 3 249.4204285 89503 303472621 462522 a-Alanine, conf. II
372855.4873 10.0276 -3.5080 3 568.4961399 89503 303664818 654817 a-Alanine, conf. II
372855.4873 10.0276 -3.5080 3 568.4961399 89503 303664819 654818 a-Alanine, conf. II
372882.7531 6.4390 -4.3051 3 466.3034417 89503 303691752 681851 a-Alanine, conf. II
372882.7531 6.4390 -3.0103 3 466.3034417 89503 303691852 681851 a-Alanine, conf. II
372882.7532 6.4390 -3.0103 3 466.3034417 89503 303691752 681751 a-Alanine, conf. II
372882.7532 6.4390 -4.3051 3 466.3034417 89503 303691852 681751 a-Alanine, conf. II
372904.9920 10.6311 -3.0333 3 443.6994387 89503 303642935 632934 a-Alanine, conf. II
372915.3000 33.7392 -4.7911 3 459.4878399 89503 303662541 652640 a-Alanine, conf. II
372987.2204 4.3277 -2.9874 3 437.5414393 89503 303652243 642242 a-Alanine, conf. II
373012.6285 2.1493 -4.5856 3 131.2321201 89503 303332310 322111 a-Alanine, conf. II
373012.6286 2.1493 -4.5856 3 131.2321201 89503 303332311 322112 a-Alanine, conf. II
373036.7419 11.3528 -3.0044 3 488.8738447 89503 303741064 731063 a-Alanine, conf. II
373036.7419 11.3528 -4.1833 3 488.8738447 89503 303741064 731163 a-Alanine, conf. II
373036.7419 11.3528 -4.1833 3 488.8738447 89503 303741164 731063 a-Alanine, conf. II
373036.7419 11.3528 -3.0044 3 488.8738447 89503 303741164 731163 a-Alanine, conf. II
373036.9712 0.3950 -4.4330 3 146.5302237 89503 303391128 38 929 a-Alanine, conf. II
373047.8187 0.3954 -4.4330 3 146.5302237 89503 303391228 381029 a-Alanine, conf. II
373105.5415 12.0326 -4.5747 3 331.0419339 89503 303562334 552233 a-Alanine, conf. II
373110.0677 9.9641 -3.4737 3 561.7669399 89503 303664719 654718 a-Alanine, conf. II
373110.0677 9.9641 -3.4737 3 561.7669399 89503 303664720 654719 a-Alanine, conf. II
373132.4847 2.5366 -3.9545 3 234.6189261 89503 303433112 423013 a-Alanine, conf. II
373132.4847 2.5366 -3.9545 3 234.6189261 89503 303433113 423012 a-Alanine, conf. II
373173.9327 4.4202 -4.4787 3 437.5414393 89503 303652343 642242 a-Alanine, conf. II
373218.0402 9.4933 -3.1335 3 476.3234393 89503 303653432 643431 a-Alanine, conf. II
373218.0449 9.4933 -3.1335 3 476.3234393 89503 303653431 643430 a-Alanine, conf. II
373269.4954 4.7713 -4.4270 3 446.3703399 89503 303662145 652244 a-Alanine, conf. II
373278.4004 43.7630 -2.9773 3 500.9024477 89503 30379 376 78 375 a-Alanine, conf. II
373278.4004 43.7630 -4.0922 3 500.9024477 89503 30379 376 78 475 a-Alanine, conf. II
373278.4004 43.7630 -4.0922 3 500.9024477 89503 30379 476 78 375 a-Alanine, conf. II
373278.4004 43.7630 -2.9773 3 500.9024477 89503 30379 476 78 475 a-Alanine, conf. II
373280.4428 4.7775 -2.9970 3 446.3703399 89503 303662245 652244 a-Alanine, conf. II
373293.7787 4.7841 -2.9969 3 446.3695399 89503 303662145 652144 a-Alanine, conf. II
373304.7261 4.7906 -4.4269 3 446.3695399 89503 303662245 652144 a-Alanine, conf. II
373383.3540 9.9091 -3.4410 3 555.1911399 89503 303664620 654619 a-Alanine, conf. II
373383.3540 9.9091 -3.4410 3 555.1911399 89503 303664621 654620 a-Alanine, conf. II
373413.9050 1.4578 -4.1643 3 255.1999291 89503 303482524 472423 a-Alanine, conf. II
373417.3928 1.4590 -4.1643 3 255.1998291 89503 303482523 472424 a-Alanine, conf. II
373535.9608 1.5602 -4.2252 3 261.4524297 89503 303492426 482325 a-Alanine, conf. II
373538.3268 7.8177 -3.0112 3 482.3005435 89503 303721359 711358 a-Alanine, conf. II
373538.3268 7.8177 -4.2298 3 482.3005435 89503 303721359 711458 a-Alanine, conf. II
373538.3268 7.8177 -4.2298 3 482.3005435 89503 303721459 711358 a-Alanine, conf. II
373538.3268 7.8177 -3.0112 3 482.3005435 89503 303721459 711458 a-Alanine, conf. II
373570.5253 2.3556 -4.2069 3 179.0831255 89503 303421527 411328 a-Alanine, conf. II
373599.1541 0.7596 -4.7989 3 121.5947225 89503 30337 730 36 531 a-Alanine, conf. II
373599.1554 0.7596 -4.7989 3 121.5947225 89503 30337 830 36 631 a-Alanine, conf. II
373623.2951 1.5983 -4.2250 3 261.4502297 89503 303492425 482326 a-Alanine, conf. II
373670.0141 2.0616 -4.3062 3 268.2188303 89503 303502327 492228 a-Alanine, conf. II
373677.2959 9.8632 -3.4096 3 548.7697399 89503 303664521 654520 a-Alanine, conf. II
373677.2959 9.8632 -3.4096 3 548.7697399 89503 303664522 654521 a-Alanine, conf. II
373678.4707 4.3496 -3.8674 3 229.6412243 89503 3034035 5 3934 6 a-Alanine, conf. II
373678.4707 4.3496 -3.8674 3 229.6412243 89503 3034035 6 3934 5 a-Alanine, conf. II
373863.6731 25.4472 -2.9925 3 498.7783465 89503 30377 671 76 670 a-Alanine, conf. II
373863.6731 25.4472 -4.1309 3 498.7783465 89503 30377 671 76 770 a-Alanine, conf. II
373863.6731 25.4472 -4.1309 3 498.7783465 89503 30377 771 76 670 a-Alanine, conf. II
373863.6731 25.4472 -2.9925 3 498.7783465 89503 30377 771 76 770 a-Alanine, conf. II
373897.4386 1.3475 -4.3499 3 152.1271225 89503 303372116 361917 a-Alanine, conf. II
373903.4199 1.3469 -4.3499 3 152.1269225 89503 303372117 361918 a-Alanine, conf. II
373925.8185 1.1837 -4.1400 3 185.5611255 89503 303421924 411725 a-Alanine, conf. II
373940.2286 1.3139 -4.2509 3 168.9318249 89503 303411527 401328 a-Alanine, conf. II
373947.0548 0.5076 -4.5915 3 134.0566231 89503 30338 929 37 730 a-Alanine, conf. II
373947.2143 0.5076 -4.5915 3 134.0566231 89503 303381029 37 830 a-Alanine, conf. II
373971.9211 1.7042 -4.4582 3 141.1529213 89503 303352213 342014 a-Alanine, conf. II
373971.9643 1.7042 -4.4582 3 141.1529213 89503 303352214 342015 a-Alanine, conf. II
373994.1359 9.8271 -3.3796 3 542.5037399 89503 303664422 654421 a-Alanine, conf. II
373994.1359 9.8271 -3.3796 3 542.5037399 89503 303664423 654422 a-Alanine, conf. II
374039.2451 16.3526 -4.6602 3 443.8331393 89503 303652441 642540 a-Alanine, conf. II
374075.1226 5.3336 -4.3879 3 454.8650405 89503 303672047 662146 a-Alanine, conf. II
374075.6252 5.3340 -3.0042 3 454.8650405 89503 303672147 662146 a-Alanine, conf. II
374076.3012 5.3345 -3.0042 3 454.8650405 89503 303672047 662046 a-Alanine, conf. II
374076.8038 5.3350 -4.3879 3 454.8650405 89503 303672147 662046 a-Alanine, conf. II
374090.7543 9.6988 -3.1128 3 471.8792393 89503 303653333 643332 a-Alanine, conf. II
374090.8072 9.6990 -3.1128 3 471.8792393 89503 303653332 643331 a-Alanine, conf. II
374137.2098 6.8699 -3.0135 3 473.7444423 89503 303701654 691653 a-Alanine, conf. II
374137.2098 6.8699 -4.2849 3 473.7444423 89503 303701654 691753 a-Alanine, conf. II
374137.2098 6.8699 -4.2849 3 473.7444423 89503 303701754 691653 a-Alanine, conf. II
374137.2098 6.8699 -3.0135 3 473.7444423 89503 303701754 691753 a-Alanine, conf. II
374323.7169 2.1722 -3.9823 3 238.6043267 89503 303443014 432915 a-Alanine, conf. II
374323.7169 2.1722 -3.9823 3 238.6043267 89503 303443015 432914 a-Alanine, conf. II
374336.4696 9.8016 -3.3507 3 536.3944399 89503 303664323 654322 a-Alanine, conf. II
374336.4696 9.8016 -3.3507 3 536.3944399 89503 303664324 654323 a-Alanine, conf. II
374376.0700 4.2769 -2.9720 3 428.2394387 89503 303642341 632340 a-Alanine, conf. II
374385.1730 14.0708 -3.0043 3 494.7651453 89503 30375 966 74 965 a-Alanine, conf. II
374385.1730 14.0708 -4.1716 3 494.7651453 89503 30375 966 741065 a-Alanine, conf. II
374385.1730 14.0708 -4.1716 3 494.7651453 89503 303751066 74 965 a-Alanine, conf. II
374385.1730 14.0708 -3.0043 3 494.7651453 89503 303751066 741065 a-Alanine, conf. II
374555.0607 10.6432 -3.0146 3 440.2787387 89503 303642837 632836 a-Alanine, conf. II
374571.4334 52.7645 -2.9748 3 505.3232483 89503 30380 278 79 277 a-Alanine, conf. II
374571.4334 52.7645 -4.0827 3 505.3232483 89503 30380 278 79 377 a-Alanine, conf. II
374571.4334 52.7645 -4.0827 3 505.3232483 89503 30380 378 79 277 a-Alanine, conf. II
374571.4334 52.7645 -2.9748 3 505.3232483 89503 30380 378 79 377 a-Alanine, conf. II
374707.3245 9.7879 -3.3230 3 530.4431399 89503 303664224 654223 a-Alanine, conf. II
374707.3245 9.7879 -3.3230 3 530.4431399 89503 303664225 654224 a-Alanine, conf. II
374861.0845 14.5742 -2.9368 3 407.4307375 89503 303622537 612536 a-Alanine, conf. II
374881.8052 8.7568 -3.0124 3 488.8425441 89503 303731261 721260 a-Alanine, conf. II
374881.8052 8.7568 -4.2159 3 488.8425441 89503 303731261 721360 a-Alanine, conf. II
374881.8052 8.7568 -4.2159 3 488.8425441 89503 303731361 721260 a-Alanine, conf. II
374881.8052 8.7568 -3.0124 3 488.8425441 89503 303731361 721360 a-Alanine, conf. II
374963.0848 3.8177 -3.8886 3 232.3837249 89503 3034134 7 4033 8 a-Alanine, conf. II
374963.0848 3.8177 -3.8886 3 232.3837249 89503 3034134 8 4033 7 a-Alanine, conf. II
375075.6949 5.9057 -4.3568 3 463.0762411 89503 303681949 672048 a-Alanine, conf. II
375075.7136 5.9057 -3.0100 3 463.0762411 89503 303682049 672048 a-Alanine, conf. II
375075.7408 5.9058 -3.0100 3 463.0762411 89503 303681949 671948 a-Alanine, conf. II
375075.7595 5.9058 -4.3568 3 463.0762411 89503 303682049 671948 a-Alanine, conf. II
375095.1568 9.9775 -3.0926 3 467.6266393 89503 303653234 643233 a-Alanine, conf. II
375095.6904 9.9798 -3.0926 3 467.6267393 89503 303653233 643232 a-Alanine, conf. II
375110.2605 9.7874 -3.2963 3 524.6513399 89503 303664125 654124 a-Alanine, conf. II
375110.2605 9.7874 -3.2963 3 524.6513399 89503 303664126 654125 a-Alanine, conf. II
375169.2973 1.1646 -4.2250 3 171.8481243 89503 303402020 391821 a-Alanine, conf. II
375186.3626 31.5162 -2.9911 3 503.8338471 89503 30378 573 77 572 a-Alanine, conf. II
375186.3626 31.5162 -4.1209 3 503.8338471 89503 30378 573 77 672 a-Alanine, conf. II
375186.3626 31.5162 -4.1209 3 503.8338471 89503 30378 673 77 572 a-Alanine, conf. II
375186.3626 31.5162 -2.9911 3 503.8338471 89503 30378 673 77 672 a-Alanine, conf. II
375255.5991 12.5153 -3.0130 3 440.3006387 89503 303642836 632835 a-Alanine, conf. II
375321.0800 5.5728 -2.9270 3 405.5561375 89503 303622438 612437 a-Alanine, conf. II
375385.8572 6.0773 -3.8153 3 230.4492231 89503 3033838 0 3737 1 a-Alanine, conf. II
375385.8572 6.0773 -3.8153 3 230.4492231 89503 3033838 1 3737 0 a-Alanine, conf. II
375430.4137 7.2843 -3.0162 3 480.9634429 89503 303711556 701555 a-Alanine, conf. II
375430.4137 7.2843 -4.2670 3 480.9634429 89503 303711556 701655 a-Alanine, conf. II
375430.4137 7.2843 -4.2670 3 480.9634429 89503 303711656 701555 a-Alanine, conf. II
375430.4137 7.2843 -3.0162 3 480.9634429 89503 303711656 701655 a-Alanine, conf. II
375458.4283 1.8692 -4.0127 3 242.9665273 89503 303452916 442817 a-Alanine, conf. II
375458.4283 1.8692 -4.0127 3 242.9665273 89503 303452917 442816 a-Alanine, conf. II
375458.9669 8.0503 -4.5346 3 263.3475303 89503 303502129 492030 a-Alanine, conf. II
375493.1934 5.4351 -2.9777 3 431.3080387 89503 303642540 632539 a-Alanine, conf. II
375549.5054 9.8019 -3.2706 3 519.0208399 89503 303664026 654025 a-Alanine, conf. II
375549.5054 9.8019 -3.2706 3 519.0208399 89503 303664027 654026 a-Alanine, conf. II
375558.7957 10.5418 -4.5714 3 415.8569381 89503 303632440 622339 a-Alanine, conf. II
375566.0478 5.5292 -4.5460 3 440.8051393 89503 303652342 642441 a-Alanine, conf. II
375584.4172 7.4462 -4.8017 3 219.4440279 89503 303461828 451729 a-Alanine, conf. II
375728.7925 17.6270 -3.0039 3 500.4576459 89503 30376 868 75 867 a-Alanine, conf. II
375728.7925 17.6270 -4.1605 3 500.4576459 89503 30376 868 75 967 a-Alanine, conf. II
375728.7925 17.6270 -4.1605 3 500.4576459 89503 30376 968 75 867 a-Alanine, conf. II
375728.7925 17.6270 -3.0039 3 500.4576459 89503 30376 968 75 967 a-Alanine, conf. II
375852.0738 63.0413 -2.9721 3 509.5464489 89503 30381 180 80 179 a-Alanine, conf. II
375852.0738 63.0413 -4.0735 3 509.5464489 89503 30381 180 80 279 a-Alanine, conf. II
375852.0738 63.0413 -4.0735 3 509.5464489 89503 30381 280 80 179 a-Alanine, conf. II
375852.0738 63.0413 -2.9721 3 509.5464489 89503 30381 280 80 279 a-Alanine, conf. II
375929.4003 12.8018 -4.7098 3 718.1520405 89503 3036765 2 6665 1 a-Alanine, conf. II
375929.4003 12.8018 -4.7098 3 718.1520405 89503 3036765 3 6665 2 a-Alanine, conf. II
375951.5483 1.4836 -4.3415 3 278.0646309 89503 303512329 502228 a-Alanine, conf. II
376021.5845 1.1197 -4.2235 3 171.8186243 89503 303402021 391822 a-Alanine, conf. II
376025.9467 12.6317 -4.5175 3 708.8985405 89503 3036764 3 6664 2 a-Alanine, conf. II
376025.9467 12.6317 -4.5175 3 708.8985405 89503 3036764 4 6664 3 a-Alanine, conf. II
376030.1345 9.8336 -3.2458 3 513.5538399 89503 303663927 653926 a-Alanine, conf. II
376030.1345 9.8336 -3.2458 3 513.5538399 89503 303663928 653927 a-Alanine, conf. II
376104.2180 14.0995 -4.5917 3 403.5689375 89503 303622439 612338 a-Alanine, conf. II
376127.7882 12.4674 -4.3767 3 699.7912405 89503 3036763 4 6663 3 a-Alanine, conf. II
376127.7882 12.4674 -4.3767 3 699.7912405 89503 3036763 5 6663 4 a-Alanine, conf. II
376202.9988 6.4493 -4.3310 3 471.0293417 89503 303691851 681950 a-Alanine, conf. II
376202.9994 6.4493 -3.0149 3 471.0293417 89503 303691951 681950 a-Alanine, conf. II
376203.0003 6.4493 -3.0149 3 471.0293417 89503 303691851 681850 a-Alanine, conf. II
376203.0009 6.4493 -4.3310 3 471.0293417 89503 303691951 681850 a-Alanine, conf. II
376207.9092 10.1365 -2.9970 3 437.1115387 89503 303642738 632737 a-Alanine, conf. II
376229.7497 10.2205 -3.0132 3 495.1806447 89503 303741163 731162 a-Alanine, conf. II
376229.7497 10.2205 -4.2030 3 495.1806447 89503 303741163 731262 a-Alanine, conf. II
376229.7497 10.2205 -4.2030 3 495.1806447 89503 303741263 731162 a-Alanine, conf. II
376229.7497 10.2205 -3.0132 3 495.1806447 89503 303741263 731262 a-Alanine, conf. II
376232.2916 3.3247 -3.9112 3 235.4806255 89503 3034233 9 413210 a-Alanine, conf. II
376232.2916 3.3247 -3.9112 3 235.4806255 89503 303423310 4132 9 a-Alanine, conf. II
376235.2704 12.3091 -4.2642 3 690.8304405 89503 3036762 5 6662 4 a-Alanine, conf. II
376235.2704 12.3091 -4.2642 3 690.8304405 89503 3036762 6 6662 5 a-Alanine, conf. II
376269.6395 10.3578 -3.0729 3 463.5752393 89503 303653135 643134 a-Alanine, conf. II
376274.4057 10.3766 -3.0729 3 463.5753393 89503 303653134 643133 a-Alanine, conf. II
376348.7696 12.1567 -4.1698 3 682.0162405 89503 3036761 6 6661 5 a-Alanine, conf. II
376348.7696 12.1567 -4.1698 3 682.0162405 89503 3036761 7 6661 6 a-Alanine, conf. II
376468.6963 12.0104 -4.0880 3 673.3491405 89503 3036760 7 6660 6 a-Alanine, conf. II
376468.6963 12.0104 -4.0880 3 673.3491405 89503 3036760 8 6660 7 a-Alanine, conf. II
376498.5755 38.6462 -2.9893 3 508.6923477 89503 30379 475 78 474 a-Alanine, conf. II
376498.5755 38.6462 -4.1113 3 508.6923477 89503 30379 475 78 574 a-Alanine, conf. II
376498.5755 38.6462 -4.1113 3 508.6923477 89503 30379 575 78 474 a-Alanine, conf. II
376498.5755 38.6462 -2.9893 3 508.6923477 89503 30379 575 78 574 a-Alanine, conf. II
376511.6203 1.6450 -4.0465 3 247.7157279 89503 303462819 452718 a-Alanine, conf. II
376511.6204 1.6450 -4.0465 3 247.7157279 89503 303462818 452719 a-Alanine, conf. II
376558.3198 9.8857 -3.2219 3 508.2525399 89503 303663828 653827 a-Alanine, conf. II
376558.3198 9.8857 -3.2219 3 508.2525399 89503 303663829 653828 a-Alanine, conf. II
376586.9232 5.9358 -3.9768 3 230.3611285 89503 303471928 461729 a-Alanine, conf. II
376595.4986 11.8701 -4.0154 3 664.8291405 89503 3036759 8 6659 7 a-Alanine, conf. II
376595.4986 11.8701 -4.0154 3 664.8291405 89503 3036759 9 6659 8 a-Alanine, conf. II
376689.6673 5.4328 -3.8334 3 232.3425237 89503 3033937 2 3836 3 a-Alanine, conf. II
376689.6673 5.4328 -3.8334 3 232.3425237 89503 3033937 3 3836 2 a-Alanine, conf. II
376710.1842 7.6088 -4.5525 3 428.2394387 89503 303642441 632340 a-Alanine, conf. II
376729.6675 11.7360 -3.9499 3 656.4567405 89503 3036758 9 6658 8 a-Alanine, conf. II
376729.6675 11.7360 -3.9499 3 656.4567405 89503 303675810 6658 9 a-Alanine, conf. II
376748.7321 7.7613 -3.0185 3 487.9670435 89503 303721458 711457 a-Alanine, conf. II
376748.7321 7.7613 -4.2509 3 487.9670435 89503 303721458 711557 a-Alanine, conf. II
376748.7321 7.7613 -4.2509 3 487.9670435 89503 303721558 711457 a-Alanine, conf. II
376748.7321 7.7613 -3.0185 3 487.9670435 89503 303721558 711557 a-Alanine, conf. II
376778.6767 4.3258 -2.9864 3 440.8051393 89503 303652442 642441 a-Alanine, conf. II
376783.6954 2.5998 -4.6840 3 128.1839195 89503 3033224 8 3122 9 a-Alanine, conf. II
376783.6954 2.5998 -4.6840 3 128.1839195 89503 3033224 9 312210 a-Alanine, conf. II
376826.3000 8.0676 -2.9837 3 434.1605387 89503 303642639 632638 a-Alanine, conf. II
376871.7414 11.6081 -3.8902 3 648.2322405 89503 303675710 6657 9 a-Alanine, conf. II
376871.7414 11.6081 -3.8902 3 648.2322405 89503 303675711 665710 a-Alanine, conf. II
377022.3127 11.4865 -3.8352 3 640.1558405 89503 303675611 665610 a-Alanine, conf. II
377022.3127 11.4865 -3.8352 3 640.1558405 89503 303675612 665611 a-Alanine, conf. II
377029.9299 4.6605 -4.4714 3 449.9891399 89503 303662244 652343 a-Alanine, conf. II
377065.6080 22.0839 -3.0033 3 505.9521465 89503 30377 770 76 769 a-Alanine, conf. II
377065.6080 22.0839 -4.1501 3 505.9521465 89503 30377 770 76 869 a-Alanine, conf. II
377065.6080 22.0839 -4.1501 3 505.9521465 89503 30377 870 76 769 a-Alanine, conf. II
377065.6080 22.0839 -3.0033 3 505.9521465 89503 30377 870 76 869 a-Alanine, conf. II
377100.2508 9.3578 -4.5338 3 319.9171333 89503 303552333 542232 a-Alanine, conf. II
377118.4705 4.6817 -2.9970 3 449.9891399 89503 303662344 652343 a-Alanine, conf. II
377119.9375 74.6918 -2.9691 3 513.5715495 89503 30382 082 81 081 a-Alanine, conf. II
377119.9375 74.6918 -4.0644 3 513.5715495 89503 30382 082 81 181 a-Alanine, conf. II
377119.9375 74.6918 -4.0644 3 513.5715495 89503 30382 182 81 081 a-Alanine, conf. II
377119.9375 74.6918 -2.9691 3 513.5715495 89503 30382 182 81 181 a-Alanine, conf. II
377141.6813 9.9621 -3.1988 3 503.1200399 89503 303663729 653728 a-Alanine, conf. II
377141.6813 9.9621 -3.1988 3 503.1200399 89503 303663730 653729 a-Alanine, conf. II
377169.5029 2.0026 -4.1236 3 191.6809261 89503 303431826 421627 a-Alanine, conf. II
377182.0341 11.3714 -3.7841 3 632.2281405 89503 303675512 665511 a-Alanine, conf. II
377182.0341 11.3714 -3.7841 3 632.2281405 89503 303675513 665512 a-Alanine, conf. II
377216.6422 4.7111 -2.9967 3 449.9829399 89503 303662244 652243 a-Alanine, conf. II
377250.3261 17.6459 -2.9631 3 422.0941381 89503 303632637 622636 a-Alanine, conf. II
377305.1828 4.7540 -4.4707 3 449.9829399 89503 303662344 652243 a-Alanine, conf. II
377351.6272 11.2628 -3.7363 3 624.4493405 89503 303675413 665412 a-Alanine, conf. II
377351.6272 11.2628 -3.7363 3 624.4493405 89503 303675414 665413 a-Alanine, conf. II
377411.7241 6.9409 -3.0190 3 478.7414423 89503 303701753 691752 a-Alanine, conf. II
377411.7241 6.9409 -4.3089 3 478.7414423 89503 303701753 691852 a-Alanine, conf. II
377411.7241 6.9409 -4.3089 3 478.7414423 89503 303701853 691752 a-Alanine, conf. II
377411.7241 6.9409 -3.0190 3 478.7414423 89503 303701853 691852 a-Alanine, conf. II
377445.1885 1.5203 -4.0845 3 252.8658285 89503 303472721 462620 a-Alanine, conf. II
377445.1954 1.5203 -4.0845 3 252.8658285 89503 303472720 462621 a-Alanine, conf. II
377479.2433 2.8736 -3.9355 3 238.9364261 89503 303433211 423112 a-Alanine, conf. II
377479.2433 2.8736 -3.9355 3 238.9364261 89503 303433212 423111 a-Alanine, conf. II
377482.4754 1.8037 -4.2019 3 179.0895255 89503 303421627 411428 a-Alanine, conf. II
377531.8916 11.1609 -3.6914 3 616.8199405 89503 303675314 665313 a-Alanine, conf. II
377531.8916 11.1609 -3.6914 3 616.8199405 89503 303675315 665314 a-Alanine, conf. II
377578.0582 12.3703 -3.0137 3 501.3170453 89503 303751065 741064 a-Alanine, conf. II
377578.0582 12.3703 -4.1911 3 501.3170453 89503 303751065 741164 a-Alanine, conf. II
377578.0582 12.3703 -4.1911 3 501.3170453 89503 303751165 741064 a-Alanine, conf. II
377578.0582 12.3703 -3.0137 3 501.3170453 89503 303751165 741164 a-Alanine, conf. II
377600.1004 0.5890 -4.3675 3 156.3348243 89503 303401228 391029 a-Alanine, conf. II
377647.2774 0.5874 -4.3674 3 156.3349243 89503 303401328 391129 a-Alanine, conf. II
377665.9567 10.8639 -3.0535 3 459.7377393 89503 303653036 643035 a-Alanine, conf. II
377683.0038 5.2163 -4.4236 3 458.8216405 89503 303672146 662245 a-Alanine, conf. II
377687.8681 5.2196 -3.0058 3 458.8216405 89503 303672246 662245 a-Alanine, conf. II
377693.9512 5.2233 -3.0058 3 458.8213405 89503 303672146 662145 a-Alanine, conf. II
377698.8155 5.2267 -4.4236 3 458.8213405 89503 303672246 662145 a-Alanine, conf. II
377703.1195 10.9963 -3.0534 3 459.7387393 89503 303653035 643034 a-Alanine, conf. II
377723.7164 11.0659 -3.6491 3 609.3405405 89503 303675215 665214 a-Alanine, conf. II
377723.7164 11.0659 -3.6491 3 609.3405405 89503 303675216 665215 a-Alanine, conf. II
377789.7959 10.0683 -3.1765 3 498.1595399 89503 303663630 653629 a-Alanine, conf. II
377789.7959 10.0683 -3.1765 3 498.1595399 89503 303663631 653630 a-Alanine, conf. II
377799.5086 46.9186 -2.9874 3 513.3536483 89503 30380 377 79 376 a-Alanine, conf. II
377799.5086 46.9186 -4.1019 3 513.3536483 89503 30380 377 79 476 a-Alanine, conf. II
377799.5086 46.9186 -4.1019 3 513.3536483 89503 30380 477 79 376 a-Alanine, conf. II
377799.5086 46.9186 -2.9874 3 513.3536483 89503 30380 477 79 476 a-Alanine, conf. II
377900.1620 4.4453 -2.9834 3 440.7272393 89503 303652342 642341 a-Alanine, conf. II
377928.0931 10.9781 -3.6090 3 602.0115405 89503 303675116 665115 a-Alanine, conf. II
377928.0931 10.9781 -3.6090 3 602.0115405 89503 303675117 665116 a-Alanine, conf. II
377988.1515 4.8265 -3.8525 3 234.5819243 89503 3034036 4 3935 5 a-Alanine, conf. II
377988.1515 4.8265 -3.8525 3 234.5819243 89503 3034036 5 3935 4 a-Alanine, conf. II
378054.6301 1.8865 -4.0332 3 222.6595279 89503 303462026 451827 a-Alanine, conf. II
378082.6139 8.4354 -3.0203 3 494.7604441 89503 303731360 721359 a-Alanine, conf. II
378082.6139 8.4354 -4.2364 3 494.7604441 89503 303731360 721459 a-Alanine, conf. II
378082.6139 8.4354 -4.2364 3 494.7604441 89503 303731460 721359 a-Alanine, conf. II
378082.6139 8.4354 -3.0203 3 494.7604441 89503 303731460 721459 a-Alanine, conf. II
378099.1700 1.2318 -4.1983 3 179.6793249 89503 303412021 401822 a-Alanine, conf. II
378146.1313 10.8976 -3.5709 3 594.8335405 89503 303675017 665016 a-Alanine, conf. II
378146.1313 10.8976 -3.5709 3 594.8335405 89503 303675018 665017 a-Alanine, conf. II
378153.7878 5.5789 -4.4382 3 275.5083309 89503 303512229 502130 a-Alanine, conf. II
378197.7150 1.5075 -4.1282 3 258.4354291 89503 303482623 472522 a-Alanine, conf. II
378198.0135 1.5076 -4.1282 3 258.4354291 89503 303482622 472523 a-Alanine, conf. II
378201.1524 2.0919 -4.5380 3 137.5063207 89503 303342311 332112 a-Alanine, conf. II
378201.1530 2.0919 -4.5380 3 137.5063207 89503 303342312 332113 a-Alanine, conf. II
378331.5745 9.9239 -4.6557 3 251.4510297 89503 303492029 481930 a-Alanine, conf. II
378379.0778 10.8249 -3.5346 3 587.8072405 89503 303674918 664917 a-Alanine, conf. II
378379.0778 10.8249 -3.5346 3 587.8072405 89503 303674919 664918 a-Alanine, conf. II
378394.0562 27.5031 -3.0023 3 511.2490471 89503 30378 672 77 671 a-Alanine, conf. II
378394.0562 27.5031 -4.1401 3 511.2490471 89503 30378 672 77 771 a-Alanine, conf. II
378394.0562 27.5031 -4.1401 3 511.2490471 89503 30378 772 77 671 a-Alanine, conf. II
378394.0562 27.5031 -3.0023 3 511.2490471 89503 30378 772 77 771 a-Alanine, conf. II
378463.5414 1.3222 -4.3164 3 159.2518231 89503 303382117 371918 a-Alanine, conf. II
378480.1867 1.3208 -4.3164 3 159.2513231 89503 303382118 371919 a-Alanine, conf. II
378514.9651 10.2122 -3.1549 3 493.3754399 89503 303663532 653531 a-Alanine, conf. II
378514.9662 10.2122 -3.1549 3 493.3754399 89503 303663531 653530 a-Alanine, conf. II
378520.3663 1.6949 -4.2461 3 270.9583303 89503 303502427 492326 a-Alanine, conf. II
378538.2138 1.4283 -3.9807 3 231.9721285 89503 303472027 461828 a-Alanine, conf. II
378539.9509 5.8110 -4.3876 3 467.3428411 89503 303682048 672147 a-Alanine, conf. II
378540.1627 5.8112 -3.0130 3 467.3428411 89503 303682148 672147 a-Alanine, conf. II
378540.4534 5.8114 -3.0130 3 467.3428411 89503 303682048 672047 a-Alanine, conf. II
378540.6653 5.8116 -4.3876 3 467.3428411 89503 303682148 672047 a-Alanine, conf. II
378552.9759 17.0759 -4.6087 3 391.3751369 89503 303612438 602337 a-Alanine, conf. II
378628.3391 10.7602 -3.5000 3 580.9332405 89503 303674819 664818 a-Alanine, conf. II
378628.3391 10.7602 -3.5000 3 580.9332405 89503 303674820 664819 a-Alanine, conf. II
378657.9781 1.5945 -4.1803 3 264.4515297 89503 303492525 482424 a-Alanine, conf. II
378667.3463 1.5987 -4.1803 3 264.4513297 89503 303492524 482425 a-Alanine, conf. II
378673.8518 7.3847 -3.0224 3 486.2243429 89503 303711655 701654 a-Alanine, conf. II
378673.8518 7.3847 -4.2897 3 486.2243429 89503 303711655 701754 a-Alanine, conf. II
378673.8518 7.3847 -4.2897 3 486.2243429 89503 303711755 701654 a-Alanine, conf. II
378673.8518 7.3847 -3.0224 3 486.2243429 89503 303711755 701754 a-Alanine, conf. II
378694.4315 2.4695 -3.9618 3 242.7569267 89503 303443113 433014 a-Alanine, conf. II
378694.4315 2.4695 -3.9618 3 242.7569267 89503 303443114 433013 a-Alanine, conf. II
378729.7668 1.7980 -4.2457 3 270.9529303 89503 303502426 492327 a-Alanine, conf. II
378761.7027 2.0146 -4.3809 3 288.1222315 89503 303522330 512229 a-Alanine, conf. II
378859.1126 6.6328 -4.0577 3 219.3347279 89503 303461828 451629 a-Alanine, conf. II
378895.5092 10.7040 -3.4669 3 574.2125405 89503 303674720 664719 a-Alanine, conf. II
378895.5092 10.7040 -3.4669 3 574.2125405 89503 303674721 664720 a-Alanine, conf. II
378923.6004 15.3203 -3.0139 3 507.2533459 89503 30376 967 75 966 a-Alanine, conf. II
378923.6004 15.3203 -4.1799 3 507.2533459 89503 30376 967 751066 a-Alanine, conf. II
378923.6004 15.3203 -4.1799 3 507.2533459 89503 303761067 75 966 a-Alanine, conf. II
378923.6004 15.3203 -3.0139 3 507.2533459 89503 303761067 751066 a-Alanine, conf. II
378932.7780 1.6567 -4.4190 3 147.8435219 89503 303362214 352015 a-Alanine, conf. II
378932.9249 1.6566 -4.4190 3 147.8435219 89503 303362215 352016 a-Alanine, conf. II
379088.5361 56.4220 -2.9851 3 517.8175489 89503 30381 279 80 278 a-Alanine, conf. II
379088.5361 56.4220 -4.0928 3 517.8175489 89503 30381 279 80 378 a-Alanine, conf. II
379088.5361 56.4220 -4.0928 3 517.8175489 89503 30381 379 80 278 a-Alanine, conf. II
379088.5361 56.4220 -2.9851 3 517.8175489 89503 30381 379 80 378 a-Alanine, conf. II
379105.1773 2.6911 -4.3362 3 277.9865309 89503 303512328 502229 a-Alanine, conf. II
379112.7909 5.8885 -4.5366 3 440.7272393 89503 303652442 642341 a-Alanine, conf. II
379182.4040 10.6570 -3.4352 3 567.6458405 89503 303674621 664620 a-Alanine, conf. II
379182.4040 10.6570 -3.4352 3 567.6458405 89503 303674622 664621 a-Alanine, conf. II
379182.9058 3.6810 -2.9401 3 418.0755381 89503 303632439 622438 a-Alanine, conf. II
379252.4944 2.1525 -4.0836 3 213.5524273 89503 303452025 441826 a-Alanine, conf. II
379266.8332 0.4202 -4.5084 3 143.6838237 89503 303391029 38 830 a-Alanine, conf. II
379267.7206 0.4203 -4.5084 3 143.6838237 89503 303391129 38 930 a-Alanine, conf. II
379278.3107 4.2584 -3.8729 3 237.1701249 89503 3034135 6 4034 7 a-Alanine, conf. II
379278.3107 4.2584 -3.8729 3 237.1701249 89503 3034135 7 4034 6 a-Alanine, conf. II
379324.7753 11.4234 -3.0343 3 456.1310393 89503 303652937 642936 a-Alanine, conf. II
379333.4158 10.4049 -3.1339 3 488.7726399 89503 303663433 653432 a-Alanine, conf. II
379333.4288 10.4049 -3.1339 3 488.7726399 89503 303663432 653431 a-Alanine, conf. II
379402.3665 16.8941 -2.9891 3 437.2352387 89503 303642737 632736 a-Alanine, conf. II
379407.8516 0.6964 -4.6879 3 131.0282231 89503 30338 830 37 631 a-Alanine, conf. II
379407.8608 0.6964 -4.6879 3 131.0282231 89503 30338 930 37 731 a-Alanine, conf. II
379425.1605 9.4880 -3.0217 3 501.3472447 89503 303741262 731261 a-Alanine, conf. II
379425.1605 9.4880 -4.2232 3 501.3472447 89503 303741262 731361 a-Alanine, conf. II
379425.1605 9.4880 -4.2232 3 501.3472447 89503 303741362 731261 a-Alanine, conf. II
379425.1605 9.4880 -3.0217 3 501.3472447 89503 303741362 731361 a-Alanine, conf. II
379475.9602 1.4594 -4.1204 3 193.7726261 89503 303431925 421726 a-Alanine, conf. II
379491.1031 10.6198 -3.4048 3 561.2342405 89503 303674522 664521 a-Alanine, conf. II
379491.1031 10.6198 -3.4048 3 561.2342405 89503 303674523 664522 a-Alanine, conf. II
379572.1218 12.2055 -3.0338 3 456.1381393 89503 303652936 642935 a-Alanine, conf. II
379573.6786 6.4071 -4.3585 3 475.5874417 89503 303691950 682049 a-Alanine, conf. II
379573.6861 6.4071 -3.0189 3 475.5874417 89503 303692050 682049 a-Alanine, conf. II
379573.6972 6.4072 -3.0189 3 475.5874417 89503 303691950 681949 a-Alanine, conf. II
379573.7048 6.4072 -4.3585 3 475.5874417 89503 303692050 681949 a-Alanine, conf. II
379586.1039 6.2886 -4.4815 3 309.0439327 89503 303542332 532231 a-Alanine, conf. II
379712.9055 33.9524 -3.0011 3 516.3486477 89503 30379 574 78 573 a-Alanine, conf. II
379712.9055 33.9524 -4.1305 3 516.3486477 89503 30379 574 78 673 a-Alanine, conf. II
379712.9055 33.9524 -4.1305 3 516.3486477 89503 30379 674 78 573 a-Alanine, conf. II
379712.9055 33.9524 -3.0011 3 516.3486477 89503 30379 674 78 673 a-Alanine, conf. II
379824.0037 10.5933 -3.3756 3 554.9788405 89503 303674423 664422 a-Alanine, conf. II
379824.0037 10.5933 -3.3756 3 554.9788405 89503 303674424 664423 a-Alanine, conf. II
379864.4667 2.1218 -3.9904 3 246.9489273 89503 303453015 442916 a-Alanine, conf. II
379864.4667 2.1218 -3.9904 3 246.9489273 89503 303453016 442915 a-Alanine, conf. II
379927.1021 1.1360 -4.1954 3 179.6157249 89503 303412022 401823 a-Alanine, conf. II
379971.1391 7.8222 -3.0254 3 493.4864435 89503 303721557 711556 a-Alanine, conf. II
379971.1391 7.8222 -4.2727 3 493.4864435 89503 303721557 711656 a-Alanine, conf. II
379971.1391 7.8222 -4.2727 3 493.4864435 89503 303721657 711556 a-Alanine, conf. II
379971.1391 7.8222 -3.0254 3 493.4864435 89503 303721657 711656 a-Alanine, conf. II
380114.6577 3.6439 -4.4281 3 298.4448321 89503 303532331 522230 a-Alanine, conf. II
380153.9580 1.3695 -4.1735 3 187.7540255 89503 303422022 411823 a-Alanine, conf. II
380183.8877 10.5785 -3.3476 3 548.8809405 89503 303674324 664323 a-Alanine, conf. II
380183.8877 10.5785 -3.3476 3 548.8809405 89503 303674325 664324 a-Alanine, conf. II
380263.9562 19.1481 -3.0137 3 512.9906465 89503 30377 869 76 868 a-Alanine, conf. II
380263.9562 19.1481 -4.1693 3 512.9906465 89503 30377 869 76 968 a-Alanine, conf. II
380263.9562 19.1481 -4.1693 3 512.9906465 89503 30377 969 76 868 a-Alanine, conf. II
380263.9562 19.1481 -3.0137 3 512.9906465 89503 30377 969 76 968 a-Alanine, conf. II
380267.2539 10.6631 -3.1135 3 484.3575399 89503 303663334 653333 a-Alanine, conf. II
380267.3930 10.6638 -3.1135 3 484.3575399 89503 303663333 653332 a-Alanine, conf. II
380343.0259 5.1453 -2.9854 3 443.8331393 89503 303652541 642540 a-Alanine, conf. II
380365.1785 67.2515 -2.9826 3 522.0835495 89503 30382 181 81 180 a-Alanine, conf. II
380365.1785 67.2515 -4.0839 3 522.0835495 89503 30382 181 81 280 a-Alanine, conf. II
380365.1785 67.2515 -4.0839 3 522.0835495 89503 30382 281 81 180 a-Alanine, conf. II
380365.1785 67.2515 -2.9826 3 522.0835495 89503 30382 281 81 280 a-Alanine, conf. II
380505.1241 4.9935 -4.5285 3 453.3731399 89503 303662343 652442 a-Alanine, conf. II
380556.0561 3.7292 -3.8946 3 240.1106255 89503 3034234 8 4133 9 a-Alanine, conf. II
380556.0561 3.7292 -3.8946 3 240.1106255 89503 3034234 9 4133 8 a-Alanine, conf. II
380574.0088 10.5767 -3.3205 3 542.9420405 89503 303674225 664224 a-Alanine, conf. II
380574.0088 10.5767 -3.3205 3 542.9420405 89503 303674226 664225 a-Alanine, conf. II
380596.2398 1.9577 -4.1215 3 204.6873267 89503 303442024 431825 a-Alanine, conf. II
380720.6651 6.9663 -4.3343 3 483.5781423 89503 303701852 691951 a-Alanine, conf. II
380720.6653 6.9663 -3.0239 3 483.5781423 89503 303701952 691951 a-Alanine, conf. II
380720.6657 6.9663 -3.0239 3 483.5781423 89503 303701852 691851 a-Alanine, conf. II
380720.6659 6.9663 -4.3343 3 483.5781423 89503 303701952 691851 a-Alanine, conf. II
380771.2662 11.1112 -3.0228 3 507.7303453 89503 303751164 741163 a-Alanine, conf. II
380771.2662 11.1112 -4.2109 3 507.7303453 89503 303751164 741263 a-Alanine, conf. II
380771.2662 11.1112 -4.2109 3 507.7303453 89503 303751264 741163 a-Alanine, conf. II
380771.2662 11.1112 -3.0228 3 507.7303453 89503 303751264 741263 a-Alanine, conf. II
380970.1044 1.8454 -4.0219 3 251.5214279 89503 303462917 452818 a-Alanine, conf. II
380970.1044 1.8454 -4.0219 3 251.5214279 89503 303462918 452817 a-Alanine, conf. II
380994.5267 5.9794 -3.8201 3 237.5831237 89503 3033938 1 3837 2 a-Alanine, conf. II
380994.5267 5.9794 -3.8201 3 237.5831237 89503 3033938 2 3837 1 a-Alanine, conf. II
380998.2067 10.5897 -3.2945 3 537.1636405 89503 303674126 664125 a-Alanine, conf. II
380998.2067 10.5897 -3.2945 3 537.1636405 89503 303674127 664126 a-Alanine, conf. II
381021.1856 41.5077 -2.9996 3 521.2509483 89503 30380 476 79 475 a-Alanine, conf. II
381021.1856 41.5077 -4.1212 3 521.2509483 89503 30380 476 79 575 a-Alanine, conf. II
381021.1856 41.5077 -4.1212 3 521.2509483 89503 30380 576 79 475 a-Alanine, conf. II
381021.1856 41.5077 -2.9996 3 521.2509483 89503 30380 576 79 575 a-Alanine, conf. II
381026.5218 1.6227 -4.1493 3 196.0866261 89503 303432023 421824 a-Alanine, conf. II
381117.4879 4.6475 -2.9958 3 453.3731399 89503 303662443 652442 a-Alanine, conf. II
381138.9930 11.5829 -3.0157 3 452.7725393 89503 303652838 642837 a-Alanine, conf. II
381291.1385 8.3443 -3.0278 3 500.5340441 89503 303731459 721458 a-Alanine, conf. II
381291.1385 8.3443 -4.2575 3 500.5340441 89503 303731459 721558 a-Alanine, conf. II
381291.1385 8.3443 -4.2575 3 500.5340441 89503 303731559 721458 a-Alanine, conf. II
381291.1385 8.3443 -3.0278 3 500.5340441 89503 303731559 721558 a-Alanine, conf. II
381347.6319 11.0122 -3.0937 3 480.1385399 89503 303663235 653234 a-Alanine, conf. II
381348.9591 11.0183 -3.0937 3 480.1385399 89503 303663234 653233 a-Alanine, conf. II
381394.4252 2.2529 -4.1582 3 189.4411261 89503 303431727 421528 a-Alanine, conf. II
381423.0638 5.0947 -4.4650 3 462.5685405 89503 303672245 662344 a-Alanine, conf. II
381461.0586 10.6197 -3.2694 3 531.5478405 89503 303674027 664026 a-Alanine, conf. II
381461.0586 10.6197 -3.2694 3 531.5478405 89503 303674028 664027 a-Alanine, conf. II
381464.3050 5.1117 -3.0064 3 462.5685405 89503 303672345 662344 a-Alanine, conf. II
381474.1396 11.2853 -4.6176 3 456.5199399 89503 303662442 652541 a-Alanine, conf. II
381482.6727 13.6778 -4.7428 3 740.0882411 89503 3036866 2 6766 1 a-Alanine, conf. II
381482.6727 13.6778 -4.7428 3 740.0882411 89503 3036866 3 6766 2 a-Alanine, conf. II
381511.6043 5.1304 -3.0063 3 462.5655405 89503 303672245 662244 a-Alanine, conf. II
381552.8455 5.1526 -4.4647 3 462.5655405 89503 303672345 662244 a-Alanine, conf. II
381578.6595 13.5051 -4.5502 3 730.6917411 89503 3036865 3 6765 2 a-Alanine, conf. II
381578.6595 13.5051 -4.5502 3 730.6917411 89503 3036865 4 6765 3 a-Alanine, conf. II
381597.2363 23.9167 -3.0133 3 518.5296471 89503 30378 771 77 770 a-Alanine, conf. II
381597.2363 23.9167 -4.1593 3 518.5296471 89503 30378 771 77 870 a-Alanine, conf. II
381597.2363 23.9167 -4.1593 3 518.5296471 89503 30378 871 77 770 a-Alanine, conf. II
381597.2363 23.9167 -3.0133 3 518.5296471 89503 30378 871 77 870 a-Alanine, conf. II
381629.0796 79.5080 -2.9798 3 526.1508501 89503 30383 083 82 082 a-Alanine, conf. II
381629.0796 79.5080 -4.0751 3 526.1508501 89503 30383 083 82 182 a-Alanine, conf. II
381629.0796 79.5080 -4.0751 3 526.1508501 89503 30383 183 82 082 a-Alanine, conf. II
381629.0796 79.5080 -2.9798 3 526.1508501 89503 30383 183 82 182 a-Alanine, conf. II
381666.6039 0.9561 -4.3090 3 166.3521249 89503 303411328 401129 a-Alanine, conf. II
381679.8487 13.3384 -4.4091 3 721.4414411 89503 3036864 4 6764 3 a-Alanine, conf. II
381679.8487 13.3384 -4.4091 3 721.4414411 89503 3036864 5 6764 4 a-Alanine, conf. II
381717.7530 4.7320 -2.9943 3 453.3326399 89503 303662343 652342 a-Alanine, conf. II
381786.5739 13.1777 -4.2963 3 712.3375411 89503 3036863 5 6763 4 a-Alanine, conf. II
381786.5739 13.1777 -4.2963 3 712.3375411 89503 3036863 6 6763 5 a-Alanine, conf. II
381815.8008 3.2411 -3.9178 3 243.4073261 89503 303433310 423211 a-Alanine, conf. II
381815.8008 3.2411 -3.9178 3 243.4073261 89503 303433311 423210 a-Alanine, conf. II
381852.0549 0.9393 -4.3086 3 166.3523249 89503 303411428 401229 a-Alanine, conf. II
381899.1980 13.0230 -4.2015 3 703.3802411 89503 3036862 6 6762 5 a-Alanine, conf. II
381899.1980 13.0230 -4.2015 3 703.3802411 89503 3036862 7 6762 6 a-Alanine, conf. II
381941.0625 7.4696 -3.0282 3 491.3305429 89503 303711754 701753 a-Alanine, conf. II
381941.0625 7.4696 -4.3135 3 491.3305429 89503 303711754 701853 a-Alanine, conf. II
381941.0625 7.4696 -4.3135 3 491.3305429 89503 303711854 701753 a-Alanine, conf. II
381941.0625 7.4696 -3.0282 3 491.3305429 89503 303711854 701853 a-Alanine, conf. II
381968.0853 10.6694 -3.2452 3 526.0968405 89503 303673928 663927 a-Alanine, conf. II
381968.0853 10.6694 -3.2452 3 526.0968405 89503 303673929 663928 a-Alanine, conf. II
381982.8706 1.6607 -4.0569 3 256.4857285 89503 303472820 462719 a-Alanine, conf. II
381982.8710 1.6607 -4.0569 3 256.4857285 89503 303472819 462720 a-Alanine, conf. II
382018.1160 12.8744 -4.1193 3 694.5699411 89503 3036861 7 6761 6 a-Alanine, conf. II
382018.1160 12.8744 -4.1193 3 694.5699411 89503 3036861 8 6761 7 a-Alanine, conf. II
382080.0356 2.5369 -4.6286 3 134.2492201 89503 3033324 9 322210 a-Alanine, conf. II
382080.0357 2.5369 -4.6286 3 134.2492201 89503 303332410 322211 a-Alanine, conf. II
382108.2925 5.6912 -4.4217 3 471.4199411 89503 303682147 672246 a-Alanine, conf. II
382110.4251 5.6929 -3.0152 3 471.4199411 89503 303682247 672246 a-Alanine, conf. II
382113.1568 5.6949 -3.0151 3 471.4198411 89503 303682147 672146 a-Alanine, conf. II
382115.2895 5.6966 -4.4217 3 471.4198411 89503 303682247 672146 a-Alanine, conf. II
382117.0783 13.4649 -3.0235 3 513.9116459 89503 303761066 751065 a-Alanine, conf. II
382117.0783 13.4649 -4.1995 3 513.9116459 89503 303761066 751165 a-Alanine, conf. II
382117.0783 13.4649 -4.1995 3 513.9116459 89503 303761166 751065 a-Alanine, conf. II
382117.0783 13.4649 -3.0235 3 513.9116459 89503 303761166 751165 a-Alanine, conf. II
382120.7693 12.5423 -2.9352 3 419.9348381 89503 303632538 622537 a-Alanine, conf. II
382143.7588 12.7321 -4.0464 3 685.9067411 89503 3036860 8 6760 7 a-Alanine, conf. II
382143.7588 12.7321 -4.0464 3 685.9067411 89503 3036860 9 6760 8 a-Alanine, conf. II
382170.4362 4.2884 -2.9561 3 430.7237387 89503 303642440 632439 a-Alanine, conf. II
382253.8689 3.0695 -3.9473 3 241.4496291 89503 303482028 471829 a-Alanine, conf. II
382276.5975 12.5959 -3.9806 3 677.3910411 89503 3036859 9 6759 8 a-Alanine, conf. II
382276.5975 12.5959 -3.9806 3 677.3910411 89503 303685910 6759 9 a-Alanine, conf. II
382295.6038 5.3357 -3.8386 3 239.6708243 89503 3034037 3 3936 4 a-Alanine, conf. II
382295.6038 5.3357 -3.8386 3 239.6708243 89503 3034037 4 3936 3 a-Alanine, conf. II
382318.1355 50.2528 -2.9979 3 525.9557489 89503 30381 378 80 377 a-Alanine, conf. II
382318.1355 50.2528 -4.1122 3 525.9557489 89503 30381 378 80 477 a-Alanine, conf. II
382318.1355 50.2528 -4.1122 3 525.9557489 89503 30381 478 80 377 a-Alanine, conf. II
382318.1355 50.2528 -2.9979 3 525.9557489 89503 30381 478 80 477 a-Alanine, conf. II
382330.1168 5.2741 -4.5238 3 453.3326399 89503 303662443 652342 a-Alanine, conf. II
382417.1483 12.4661 -3.9205 3 669.0231411 89503 303685810 6758 9 a-Alanine, conf. II
382417.1483 12.4661 -3.9205 3 669.0231411 89503 303685811 675810 a-Alanine, conf. II
382467.9244 7.6291 -2.9888 3 446.7301393 89503 303652640 642639 a-Alanine, conf. II
382480.3866 15.1939 -3.0126 3 452.8178393 89503 303652837 642836 a-Alanine, conf. II
382526.0367 10.7425 -3.2218 3 520.8131405 89503 303673829 663828 a-Alanine, conf. II
382526.0367 10.7425 -3.2218 3 520.8131405 89503 303673830 663829 a-Alanine, conf. II
382538.2766 10.3839 -2.9994 3 449.6604393 89503 303652739 642738 a-Alanine, conf. II
382565.9776 12.3427 -3.8651 3 660.8033411 89503 303685711 675710 a-Alanine, conf. II
382565.9776 12.3427 -3.8651 3 660.8033411 89503 303685712 675711 a-Alanine, conf. II
382618.7576 11.4853 -3.0742 3 476.1262399 89503 303663136 653135 a-Alanine, conf. II
382622.9774 18.2801 -4.6143 3 379.2933363 89503 303602437 592336 a-Alanine, conf. II
382625.0419 9.0983 -3.0299 3 507.3719447 89503 303741361 731360 a-Alanine, conf. II
382625.0419 9.0983 -4.2437 3 507.3719447 89503 303741361 731460 a-Alanine, conf. II
382625.0419 9.0983 -4.2437 3 507.3719447 89503 303741461 731360 a-Alanine, conf. II
382625.0419 9.0983 -3.0299 3 507.3719447 89503 303741461 731460 a-Alanine, conf. II
382629.9291 11.5311 -3.0741 3 476.1265399 89503 303663135 653134 a-Alanine, conf. II
382723.7088 12.2258 -3.8137 3 652.7319411 89503 303685612 675611 a-Alanine, conf. II
382723.7088 12.2258 -3.8137 3 652.7319411 89503 303685613 675612 a-Alanine, conf. II
382858.8479 1.5869 -4.0965 3 261.8568291 89503 303482722 472621 a-Alanine, conf. II
382858.8701 1.5869 -4.0965 3 261.8568291 89503 303482721 472622 a-Alanine, conf. II
382875.7104 1.3064 -4.2848 3 166.5856237 89503 303392118 381919 a-Alanine, conf. II
382891.0295 12.1155 -3.7655 3 644.8095411 89503 303685513 675512 a-Alanine, conf. II
382891.0295 12.1155 -3.7655 3 644.8095411 89503 303685514 675513 a-Alanine, conf. II
382919.8366 1.3028 -4.2847 3 166.5841237 89503 303392119 381920 a-Alanine, conf. II
382921.9562 29.6894 -3.0127 3 523.8709477 89503 30379 673 78 672 a-Alanine, conf. II
382921.9562 29.6894 -4.1497 3 523.8709477 89503 30379 673 78 772 a-Alanine, conf. II
382921.9562 29.6894 -4.1497 3 523.8709477 89503 30379 773 78 672 a-Alanine, conf. II
382921.9562 29.6894 -3.0127 3 523.8709477 89503 30379 773 78 772 a-Alanine, conf. II
383012.6338 6.3182 -4.3884 3 479.9696417 89503 303692049 682148 a-Alanine, conf. II
383012.7222 6.3183 -3.0223 3 479.9696417 89503 303692149 682148 a-Alanine, conf. II
383012.8457 6.3184 -3.0223 3 479.9695417 89503 303692049 682048 a-Alanine, conf. II
383012.9340 6.3185 -4.3884 3 479.9695417 89503 303692149 682048 a-Alanine, conf. II
383049.8641 2.7981 -3.9428 3 247.0652267 89503 303443212 433113 a-Alanine, conf. II
383049.8641 2.7981 -3.9428 3 247.0652267 89503 303443213 433112 a-Alanine, conf. II
383068.7003 12.0121 -3.7203 3 637.0364411 89503 303685414 675413 a-Alanine, conf. II
383068.7003 12.0121 -3.7203 3 637.0364411 89503 303685415 675414 a-Alanine, conf. II
383143.3008 10.8441 -3.1991 3 515.7001405 89503 303673730 663729 a-Alanine, conf. II
383143.3008 10.8441 -3.1991 3 515.7001405 89503 303673731 663730 a-Alanine, conf. II
383209.8883 7.9279 -3.0319 3 498.8555435 89503 303721656 711655 a-Alanine, conf. II
383209.8883 7.9279 -4.2953 3 498.8555435 89503 303721656 711755 a-Alanine, conf. II
383209.8883 7.9279 -4.2953 3 498.8555435 89503 303721756 711655 a-Alanine, conf. II
383209.8883 7.9279 -3.0319 3 498.8555435 89503 303721756 711755 a-Alanine, conf. II
383257.5648 11.9156 -3.6776 3 629.4130411 89503 303685315 675314 a-Alanine, conf. II
383257.5648 11.9156 -3.6776 3 629.4130411 89503 303685316 675315 a-Alanine, conf. II
383329.5197 1.8001 -4.2697 3 280.6831309 89503 303512428 502327 a-Alanine, conf. II
383336.1959 2.0346 -4.4941 3 143.9792213 89503 303352312 342113 a-Alanine, conf. II
383336.1983 2.0346 -4.4941 3 143.9792213 89503 303352313 342114 a-Alanine, conf. II
383458.5619 11.8264 -3.6372 3 621.9400411 89503 303685216 675215 a-Alanine, conf. II
383458.5619 11.8264 -3.6372 3 621.9400411 89503 303685217 675216 a-Alanine, conf. II
383459.6442 16.6603 -3.0240 3 519.8928465 89503 30377 968 76 967 a-Alanine, conf. II
383459.6442 16.6603 -4.1888 3 519.8928465 89503 30377 968 761067 a-Alanine, conf. II
383459.6442 16.6603 -4.1888 3 519.8928465 89503 303771068 76 967 a-Alanine, conf. II
383459.6442 16.6603 -3.0240 3 519.8928465 89503 303771068 761067 a-Alanine, conf. II
383525.7119 1.6274 -4.1425 3 267.6556297 89503 303492624 482523 a-Alanine, conf. II
383526.5734 1.6277 -4.1425 3 267.6556297 89503 303492623 482524 a-Alanine, conf. II
383590.0572 4.7307 -3.8581 3 242.1058249 89503 3034136 5 4035 6 a-Alanine, conf. II
383590.0572 4.7307 -3.8581 3 242.1058249 89503 3034136 6 4035 5 a-Alanine, conf. II
383603.1651 60.2786 -2.9959 3 530.4626495 89503 30382 280 81 279 a-Alanine, conf. II
383603.1651 60.2786 -4.1034 3 530.4626495 89503 30382 280 81 379 a-Alanine, conf. II
383603.1651 60.2786 -4.1034 3 530.4626495 89503 30382 380 81 279 a-Alanine, conf. II
383603.1651 60.2786 -2.9959 3 530.4626495 89503 30382 380 81 379 a-Alanine, conf. II
383672.7395 11.7446 -3.5988 3 614.6178411 89503 303685117 675116 a-Alanine, conf. II
383672.7395 11.7446 -3.5988 3 614.6178411 89503 303685118 675117 a-Alanine, conf. II
383785.4378 5.4220 -4.1253 3 208.4041273 89503 303451728 441529 a-Alanine, conf. II
383804.2799 25.3498 -4.7213 3 472.4228405 89503 303672542 662641 a-Alanine, conf. II
383810.4043 1.6122 -4.3824 3 154.7366225 89503 303372215 362016 a-Alanine, conf. II
383810.8773 1.6122 -4.3824 3 154.7365225 89503 303372216 362017 a-Alanine, conf. II
383812.8093 2.0601 -4.2688 3 280.6707309 89503 303512427 502328 a-Alanine, conf. II
383830.5033 10.9810 -3.1772 3 510.7612405 89503 303673632 663631 a-Alanine, conf. II
383830.5035 10.9810 -3.1772 3 510.7612405 89503 303673631 663630 a-Alanine, conf. II
383832.8754 1.1684 -4.1687 3 187.6247255 89503 303422023 411824 a-Alanine, conf. II
383843.1439 1.7533 -4.1979 3 273.9129303 89503 303502526 492425 a-Alanine, conf. II
383867.4057 1.7661 -4.1979 3 273.9122303 89503 303502525 492426 a-Alanine, conf. II
383901.2721 11.6706 -3.5621 3 607.4471411 89503 303685018 675017 a-Alanine, conf. II
383901.2721 11.6706 -3.5621 3 607.4471411 89503 303685019 675018 a-Alanine, conf. II
383966.4368 10.2753 -3.0316 3 514.0035453 89503 303751263 741262 a-Alanine, conf. II
383966.4368 10.2753 -4.2310 3 514.0035453 89503 303751263 741362 a-Alanine, conf. II
383966.4368 10.2753 -4.2310 3 514.0035453 89503 303751363 741262 a-Alanine, conf. II
383966.4368 10.2753 -3.0316 3 514.0035453 89503 303751363 741362 a-Alanine, conf. II
384075.4694 6.9370 -4.3612 3 488.2486423 89503 303701951 692050 a-Alanine, conf. II
384075.4724 6.9370 -3.0284 3 488.2486423 89503 303702051 692050 a-Alanine, conf. II
384075.4769 6.9370 -3.0284 3 488.2486423 89503 303701951 691950 a-Alanine, conf. II
384075.4800 6.9370 -4.3612 3 488.2486423 89503 303702051 691950 a-Alanine, conf. II
384134.5629 12.0880 -3.0549 3 472.3353399 89503 303663037 653036 a-Alanine, conf. II
384145.4807 11.6048 -3.5272 3 600.4285411 89503 303684919 674918 a-Alanine, conf. II
384145.4807 11.6048 -3.5272 3 600.4285411 89503 303684920 674919 a-Alanine, conf. II
384216.1407 12.3882 -3.0547 3 472.3375399 89503 303663036 653035 a-Alanine, conf. II
384236.9459 36.5363 -3.0117 3 529.0145483 89503 30380 575 79 574 a-Alanine, conf. II
384236.9459 36.5363 -4.1405 3 529.0145483 89503 30380 575 79 674 a-Alanine, conf. II
384236.9459 36.5363 -4.1405 3 529.0145483 89503 30380 675 79 574 a-Alanine, conf. II
384236.9459 36.5363 -3.0117 3 529.0145483 89503 30380 675 79 674 a-Alanine, conf. II
384247.5733 2.4075 -3.9698 3 251.0904273 89503 303453114 443015 a-Alanine, conf. II
384247.5733 2.4075 -3.9698 3 251.0904273 89503 303453115 443014 a-Alanine, conf. II
384308.4344 0.4155 -4.4354 3 153.5330243 89503 303401129 39 930 a-Alanine, conf. II
384312.8862 0.4157 -4.4354 3 153.5330243 89503 303401229 391030 a-Alanine, conf. II
384406.8579 11.5475 -3.4938 3 593.5629411 89503 303684820 674819 a-Alanine, conf. II
384406.8579 11.5475 -3.4938 3 593.5629411 89503 303684821 674820 a-Alanine, conf. II
384510.6311 8.3923 -3.0351 3 506.1608441 89503 303731558 721557 a-Alanine, conf. II
384510.6311 8.3923 -4.2792 3 506.1608441 89503 303731558 721657 a-Alanine, conf. II
384510.6311 8.3923 -4.2792 3 506.1608441 89503 303731658 721557 a-Alanine, conf. II
384510.6311 8.3923 -3.0351 3 506.1608441 89503 303731658 721657 a-Alanine, conf. II
384601.4256 11.1629 -3.1560 3 506.0013405 89503 303673533 663532 a-Alanine, conf. II
384601.4287 11.1630 -3.1560 3 506.0013405 89503 303673532 663531 a-Alanine, conf. II
384687.0981 11.4995 -3.4617 3 586.8511411 89503 303684721 674720 a-Alanine, conf. II
384687.0981 11.4995 -3.4617 3 586.8511411 89503 303684722 674721 a-Alanine, conf. II
384796.6736 20.7739 -3.0241 3 525.6748471 89503 30378 870 77 869 a-Alanine, conf. II
384796.6736 20.7739 -4.1787 3 525.6748471 89503 30378 870 77 969 a-Alanine, conf. II
384796.6736 20.7739 -4.1787 3 525.6748471 89503 30378 970 77 869 a-Alanine, conf. II
384796.6736 20.7739 -3.0241 3 525.6748471 89503 30378 970 77 969 a-Alanine, conf. II
384874.5078 4.1649 -3.8789 3 244.8911255 89503 3034235 7 4134 8 a-Alanine, conf. II
384874.5078 4.1649 -3.8789 3 244.8911255 89503 3034235 8 4134 7 a-Alanine, conf. II
384875.8258 71.6826 -2.9936 3 534.7711501 89503 30383 182 82 181 a-Alanine, conf. II
384875.8258 71.6826 -4.0948 3 534.7711501 89503 30383 182 82 281 a-Alanine, conf. II
384875.8258 71.6826 -4.0948 3 534.7711501 89503 30383 282 82 181 a-Alanine, conf. II
384875.8258 71.6826 -2.9936 3 534.7711501 89503 30383 282 82 281 a-Alanine, conf. II
384878.9006 5.0898 -2.9720 3 443.4715393 89503 303652441 642440 a-Alanine, conf. II
384962.2432 5.0628 -2.9944 3 456.5199399 89503 303662542 652541 a-Alanine, conf. II
384988.1347 11.4612 -3.4310 3 580.2940411 89503 303684622 674621 a-Alanine, conf. II
384988.1347 11.4612 -3.4310 3 580.2940411 89503 303684623 674622 a-Alanine, conf. II
384990.5963 1.5114 -4.2568 3 176.5766255 89503 303421428 411229 a-Alanine, conf. II
385018.4742 0.5967 -4.5930 3 140.6901237 89503 30339 930 38 731 a-Alanine, conf. II
385018.5338 0.5967 -4.5930 3 140.6901237 89503 303391030 38 831 a-Alanine, conf. II
385061.9270 3.8439 -4.3717 3 287.9689315 89503 303522329 512230 a-Alanine, conf. II
385125.9420 5.0957 -4.5160 3 466.0858405 89503 303672344 662443 a-Alanine, conf. II
385239.7952 7.5109 -4.3384 3 496.2776429 89503 303711853 701952 a-Alanine, conf. II
385239.7953 7.5109 -3.0335 3 496.2776429 89503 303711953 701952 a-Alanine, conf. II
385239.7954 7.5109 -3.0335 3 496.2776429 89503 303711853 701852 a-Alanine, conf. II
385239.7955 7.5109 -4.3384 3 496.2776429 89503 303711953 701852 a-Alanine, conf. II
385298.3142 6.5601 -3.8076 3 242.9707237 89503 3033939 0 3838 1 a-Alanine, conf. II
385298.3142 6.5601 -3.8076 3 242.9707237 89503 3033939 1 3838 0 a-Alanine, conf. II
385310.5470 12.0704 -3.0329 3 520.4314459 89503 303761165 751164 a-Alanine, conf. II
385310.5470 12.0704 -4.2194 3 520.4314459 89503 303761165 751264 a-Alanine, conf. II
385310.5470 12.0704 -4.2194 3 520.4314459 89503 303761265 751164 a-Alanine, conf. II
385310.5470 12.0704 -3.0329 3 520.4314459 89503 303761265 751264 a-Alanine, conf. II
385312.1872 11.4337 -3.4014 3 573.8927411 89503 303684523 674522 a-Alanine, conf. II
385312.1872 11.4337 -3.4014 3 573.8927411 89503 303684524 674523 a-Alanine, conf. II
385393.8576 2.0818 -3.9993 3 255.4904279 89503 303463016 452917 a-Alanine, conf. II
385393.8576 2.0818 -3.9993 3 255.4904279 89503 303463017 452916 a-Alanine, conf. II
385427.8241 5.0393 -3.0059 3 466.0858405 89503 303672444 662443 a-Alanine, conf. II
385474.4645 11.4042 -3.1353 3 501.4258405 89503 303673434 663433 a-Alanine, conf. II
385474.4995 11.4044 -3.1353 3 501.4258405 89503 303673433 663432 a-Alanine, conf. II
385532.5074 9.9176 -4.7640 3 239.7839291 89503 303481929 471830 a-Alanine, conf. II
385541.2847 44.5355 -3.0105 3 533.9604489 89503 30381 477 80 476 a-Alanine, conf. II
385541.2847 44.5355 -4.1316 3 533.9604489 89503 30381 477 80 576 a-Alanine, conf. II
385541.2847 44.5355 -4.1316 3 533.9604489 89503 30381 577 80 476 a-Alanine, conf. II
385541.2847 44.5355 -3.0105 3 533.9604489 89503 30381 577 80 576 a-Alanine, conf. II
385647.3241 1.4216 -4.2556 3 176.5773255 89503 303421528 411329 a-Alanine, conf. II
385661.8193 11.4179 -3.3730 3 567.6484411 89503 303684424 674423 a-Alanine, conf. II
385661.8193 11.4179 -3.3730 3 567.6484411 89503 303684425 674424 a-Alanine, conf. II
385721.1676 3.0365 -4.7356 3 131.3677195 89503 3033225 7 3123 8 a-Alanine, conf. II
385721.1676 3.0365 -4.7356 3 131.3677195 89503 3033225 8 3123 9 a-Alanine, conf. II
385738.3058 5.1009 -3.0051 3 466.0654405 89503 303672344 662343 a-Alanine, conf. II
385742.1462 18.7887 -2.9580 3 434.6778387 89503 303642638 632637 a-Alanine, conf. II
385809.7162 5.5637 -4.4607 3 475.2927411 89503 303682246 672345 a-Alanine, conf. II
385828.6153 5.5743 -3.0164 3 475.2927411 89503 303682346 672345 a-Alanine, conf. II
385831.8908 8.9661 -3.0378 3 513.2525447 89503 303741460 731459 a-Alanine, conf. II
385831.8908 8.9661 -4.2647 3 513.2525447 89503 303741460 731559 a-Alanine, conf. II
385831.8908 8.9661 -4.2647 3 513.2525447 89503 303741560 731459 a-Alanine, conf. II
385831.8908 8.9661 -3.0378 3 513.2525447 89503 303741560 731559 a-Alanine, conf. II
385850.9574 5.5856 -3.0163 3 475.2914411 89503 303682246 672245 a-Alanine, conf. II
385869.8566 5.5975 -4.4606 3 475.2914411 89503 303682346 672245 a-Alanine, conf. II
385904.2240 12.6262 -3.0360 3 468.7839399 89503 303662938 652937 a-Alanine, conf. II
385993.2842 1.9060 -4.1063 3 202.1631267 89503 303441926 431727 a-Alanine, conf. II
386040.0145 11.4150 -3.3457 3 561.5625411 89503 303684325 674324 a-Alanine, conf. II
386040.0145 11.4150 -3.3457 3 561.5625411 89503 303684326 674325 a-Alanine, conf. II
386040.1879 5.3022 -4.5137 3 466.0654405 89503 303672444 662343 a-Alanine, conf. II
386126.3744 25.8695 -3.0239 3 531.2583477 89503 30379 772 78 771 a-Alanine, conf. II
386126.3744 25.8695 -4.1691 3 531.2583477 89503 30379 772 78 871 a-Alanine, conf. II
386126.3744 25.8695 -4.1691 3 531.2583477 89503 30379 872 78 771 a-Alanine, conf. II
386126.3744 25.8695 -3.0239 3 531.2583477 89503 30379 872 78 871 a-Alanine, conf. II
386135.7888 84.5682 -2.9911 3 538.8806507 89503 30384 084 83 083 a-Alanine, conf. II
386135.7888 84.5682 -4.0863 3 538.8806507 89503 30384 084 83 183 a-Alanine, conf. II
386135.7888 84.5682 -4.0863 3 538.8806507 89503 30384 184 83 083 a-Alanine, conf. II
386135.7888 84.5682 -2.9911 3 538.8806507 89503 30384 184 83 183 a-Alanine, conf. II
386144.3652 3.6396 -3.9012 3 248.0303261 89503 3034334 9 423310 a-Alanine, conf. II
386144.3652 3.6396 -3.9012 3 248.0303261 89503 303433410 4233 9 a-Alanine, conf. II
386406.3758 14.2502 -3.0348 3 468.7993399 89503 303662937 652936 a-Alanine, conf. II
386450.2735 11.4267 -3.3193 3 555.6366411 89503 303684226 674225 a-Alanine, conf. II
386450.2735 11.4267 -3.3193 3 555.6366411 89503 303684227 674226 a-Alanine, conf. II
386466.9422 1.8393 -4.0319 3 260.2748285 89503 303472918 462819 a-Alanine, conf. II
386466.9422 1.8393 -4.0319 3 260.2748285 89503 303472919 462818 a-Alanine, conf. II
386470.4722 8.0262 -3.0380 3 504.0707435 89503 303721755 711754 a-Alanine, conf. II
386470.4722 8.0262 -4.3188 3 504.0707435 89503 303721755 711854 a-Alanine, conf. II
386470.4722 8.0262 -4.3188 3 504.0707435 89503 303721855 711754 a-Alanine, conf. II
386470.4722 8.0262 -3.0380 3 504.0707435 89503 303721855 711854 a-Alanine, conf. II
386475.0244 11.7263 -3.1153 3 497.0419405 89503 303673335 663334 a-Alanine, conf. II
386475.3803 11.7281 -3.1153 3 497.0419405 89503 303673334 663333 a-Alanine, conf. II
386483.6671 2.5225 -4.1225 3 199.9841267 89503 303441827 431628 a-Alanine, conf. II
386545.1342 6.1976 -4.4212 3 484.1658417 89503 303692148 682247 a-Alanine, conf. II
386546.0576 6.1984 -3.0250 3 484.1658417 89503 303692248 682247 a-Alanine, conf. II
386547.2668 6.1994 -3.0250 3 484.1657417 89503 303692148 682147 a-Alanine, conf. II
386548.1902 6.2003 -4.4212 3 484.1657417 89503 303692248 682147 a-Alanine, conf. II
386601.3173 5.8782 -3.8254 3 244.9075243 89503 3034038 2 3937 3 a-Alanine, conf. II
386601.3173 5.8782 -3.8254 3 244.9075243 89503 3034038 3 3937 2 a-Alanine, conf. II
386653.7498 14.6411 -3.0339 3 526.6577465 89503 303771067 761066 a-Alanine, conf. II
386653.7498 14.6411 -4.2085 3 526.6577465 89503 303771067 761166 a-Alanine, conf. II
386653.7498 14.6411 -4.2085 3 526.6577465 89503 303771167 761066 a-Alanine, conf. II
386653.7498 14.6411 -3.0339 3 526.6577465 89503 303771167 761166 a-Alanine, conf. II
386834.2528 53.7731 -3.0090 3 538.7084495 89503 30382 379 81 378 a-Alanine, conf. II
386834.2528 53.7731 -4.1229 3 538.7084495 89503 30382 379 81 478 a-Alanine, conf. II
386834.2528 53.7731 -4.1229 3 538.7084495 89503 30382 479 81 378 a-Alanine, conf. II
386834.2528 53.7731 -3.0090 3 538.7084495 89503 30382 479 81 478 a-Alanine, conf. II
386896.7420 11.4551 -3.2939 3 549.8724411 89503 303684127 674126 a-Alanine, conf. II
386896.7420 11.4551 -3.2939 3 549.8724411 89503 303684128 674127 a-Alanine, conf. II
386926.0231 3.6833 -4.1697 3 197.6162267 89503 303441628 431429 a-Alanine, conf. II
387033.3693 14.6037 -4.7768 3 762.3526417 89503 3036967 2 6867 1 a-Alanine, conf. II
387033.3693 14.6037 -4.7768 3 762.3526417 89503 3036967 3 6867 2 a-Alanine, conf. II
387053.7237 2.3583 -4.2106 3 187.0014261 89503 303431528 421329 a-Alanine, conf. II
387096.7360 1.3028 -4.2551 3 174.1310243 89503 303402119 391920 a-Alanine, conf. II
387128.7976 14.4284 -4.5838 3 752.8131417 89503 3036966 3 6866 2 a-Alanine, conf. II
387128.7976 14.4284 -4.5838 3 752.8131417 89503 3036966 4 6866 3 a-Alanine, conf. II
387165.5261 9.8096 -3.0401 3 520.1349453 89503 303751362 741361 a-Alanine, conf. II
387165.5261 9.8096 -4.2516 3 520.1349453 89503 303751362 741461 a-Alanine, conf. II
387165.5261 9.8096 -4.2516 3 520.1349453 89503 303751462 741361 a-Alanine, conf. II
387165.5261 9.8096 -3.0401 3 520.1349453 89503 303751462 741461 a-Alanine, conf. II
387208.2491 1.2944 -4.2549 3 174.1272243 89503 303402120 391921 a-Alanine, conf. II
387229.3387 14.2593 -4.4423 3 743.4198417 89503 3036965 4 6865 3 a-Alanine, conf. II
387229.3387 14.2593 -4.4423 3 743.4198417 89503 3036965 5 6865 4 a-Alanine, conf. II
387335.3150 14.0962 -4.3292 3 734.1728417 89503 3036964 5 6864 4 a-Alanine, conf. II
387335.3150 14.0962 -4.3292 3 734.1728417 89503 3036964 6 6864 5 a-Alanine, conf. II
387336.3624 2.4731 -4.5781 3 140.5110207 89503 303342410 332211 a-Alanine, conf. II
387336.3624 2.4731 -4.5781 3 140.5110207 89503 303342411 332212 a-Alanine, conf. II
387384.3827 11.5027 -3.2693 3 544.2720411 89503 303684028 674027 a-Alanine, conf. II
387384.3827 11.5027 -3.2693 3 544.2720411 89503 303684029 674028 a-Alanine, conf. II
387393.3705 3.1580 -3.9250 3 251.5278267 89503 303443311 433212 a-Alanine, conf. II
387393.3705 3.1580 -3.9250 3 251.5278267 89503 303443312 433211 a-Alanine, conf. II
387434.3306 1.7019 -4.0683 3 265.4560291 89503 303482821 472720 a-Alanine, conf. II
387434.3321 1.7019 -4.0683 3 265.4560291 89503 303482820 472721 a-Alanine, conf. II
387447.0764 13.9393 -4.2341 3 725.0725417 89503 3036963 6 6863 5 a-Alanine, conf. II
387447.0764 13.9393 -4.2341 3 725.0725417 89503 3036963 7 6863 6 a-Alanine, conf. II
387447.3370 32.0124 -3.0235 3 536.6438483 89503 30380 674 79 673 a-Alanine, conf. II
387447.3370 32.0124 -4.1599 3 536.6438483 89503 30380 674 79 773 a-Alanine, conf. II
387447.3370 32.0124 -4.1599 3 536.6438483 89503 30380 774 79 673 a-Alanine, conf. II
387447.3370 32.0124 -3.0235 3 536.6438483 89503 30380 774 79 773 a-Alanine, conf. II
387491.9343 6.8560 -4.3903 3 492.7455423 89503 303702050 692149 a-Alanine, conf. II
387491.9707 6.8561 -3.0322 3 492.7455423 89503 303702150 692149 a-Alanine, conf. II
387492.0226 6.8561 -3.0322 3 492.7455423 89503 303702050 692049 a-Alanine, conf. II
387492.0591 6.8562 -4.3903 3 492.7455423 89503 303702150 692049 a-Alanine, conf. II
387540.0025 17.2613 -4.6011 3 367.3594357 89503 303592436 582335 a-Alanine, conf. II
387561.7518 8.0378 -4.5887 3 469.3609405 89503 303672443 662542 a-Alanine, conf. II
387565.0035 13.7886 -4.1515 3 716.1190417 89503 3036962 7 6862 6 a-Alanine, conf. II
387565.0035 13.7886 -4.1515 3 716.1190417 89503 3036962 8 6862 7 a-Alanine, conf. II
387639.2238 12.1610 -3.0956 3 492.8589405 89503 303673236 663235 a-Alanine, conf. II
387642.4358 12.1760 -3.0956 3 492.8589405 89503 303673235 663234 a-Alanine, conf. II
387678.4451 12.3516 -3.0180 3 465.4859399 89503 303662839 652838 a-Alanine, conf. II
387689.5109 13.6441 -4.0782 3 707.3126417 89503 3036961 8 6861 7 a-Alanine, conf. II
387689.5109 13.6441 -4.0782 3 707.3126417 89503 3036961 9 6861 8 a-Alanine, conf. II
387738.0862 8.8019 -4.4977 3 285.5112315 89503 303522230 512131 a-Alanine, conf. II
387745.1239 8.5010 -3.0419 3 511.6380441 89503 303731657 721656 a-Alanine, conf. II
387745.1239 8.5010 -4.3016 3 511.6380441 89503 303731657 721756 a-Alanine, conf. II
387745.1239 8.5010 -4.3016 3 511.6380441 89503 303731757 721656 a-Alanine, conf. II
387745.1239 8.5010 -3.0419 3 511.6380441 89503 303731757 721756 a-Alanine, conf. II
387745.9345 20.5264 -2.9861 3 449.8907393 89503 303652738 642737 a-Alanine, conf. II
387777.9205 5.3043 -2.9867 3 456.3097399 89503 303662442 652441 a-Alanine, conf. II
387779.7671 7.0787 -2.9957 3 459.4878399 89503 303662641 652640 a-Alanine, conf. II
387821.0511 13.5060 -4.0121 3 698.6536417 89503 3036960 9 6860 8 a-Alanine, conf. II
387821.0511 13.5060 -4.0121 3 698.6536417 89503 303696010 6860 9 a-Alanine, conf. II
387855.8564 1.8354 -4.2967 3 290.6321315 89503 303522429 512328 a-Alanine, conf. II
387896.1798 1.2378 -4.1439 3 195.8422261 89503 303432024 421825 a-Alanine, conf. II
387899.0743 5.2356 -3.8443 3 247.1902249 89503 3034137 4 4036 5 a-Alanine, conf. II
387899.0743 5.2356 -3.8443 3 247.1902249 89503 3034137 5 4036 4 a-Alanine, conf. II
387919.2109 11.5730 -3.2456 3 538.8379411 89503 303683929 673928 a-Alanine, conf. II
387919.2109 11.5730 -3.2456 3 538.8379411 89503 303683930 673929 a-Alanine, conf. II
387960.1189 13.3743 -3.9517 3 690.1424417 89503 303695910 6859 9 a-Alanine, conf. II
387960.1189 13.3743 -3.9517 3 690.1424417 89503 303695911 685910 a-Alanine, conf. II
387993.2577 18.0956 -3.0346 3 532.6836471 89503 30378 969 77 968 a-Alanine, conf. II
387993.2577 18.0956 -4.1983 3 532.6836471 89503 30378 969 771068 a-Alanine, conf. II
387993.2577 18.0956 -4.1983 3 532.6836471 89503 303781069 77 968 a-Alanine, conf. II
387993.2577 18.0956 -3.0346 3 532.6836471 89503 303781069 771068 a-Alanine, conf. II
388053.6522 9.0391 -2.9404 3 432.6809387 89503 303642539 632538 a-Alanine, conf. II
388107.2568 13.2491 -3.8960 3 681.7791417 89503 303695811 685810 a-Alanine, conf. II
388107.2568 13.2491 -3.8960 3 681.7791417 89503 303695812 685811 a-Alanine, conf. II
388115.2948 64.3423 -3.0072 3 543.2582501 89503 30383 281 82 280 a-Alanine, conf. II
388115.2948 64.3423 -4.1145 3 543.2582501 89503 30383 281 82 380 a-Alanine, conf. II
388115.2948 64.3423 -4.1145 3 543.2582501 89503 30383 381 82 280 a-Alanine, conf. II
388115.2948 64.3423 -3.0072 3 543.2582501 89503 30383 381 82 380 a-Alanine, conf. II
388245.2068 1.6835 -4.1097 3 271.0507297 89503 303492723 482622 a-Alanine, conf. II
388245.2755 1.6836 -4.1097 3 271.0507297 89503 303492722 482623 a-Alanine, conf. II
388263.0605 13.1305 -3.8441 3 673.5643417 89503 303695712 685711 a-Alanine, conf. II
388263.0605 13.1305 -3.8441 3 673.5643417 89503 303695713 685712 a-Alanine, conf. II
388411.9870 1.9782 -4.4534 3 150.6516219 89503 303362313 352114 a-Alanine, conf. II
388411.9958 1.9781 -4.4534 3 150.6516219 89503 303362314 352115 a-Alanine, conf. II
388428.1860 13.0187 -3.7957 3 665.4982417 89503 303695613 685612 a-Alanine, conf. II
388428.1860 13.0187 -3.7957 3 665.4982417 89503 303695614 685613 a-Alanine, conf. II
388505.5650 11.1227 -3.0420 3 526.8112459 89503 303761264 751263 a-Alanine, conf. II
388505.5650 11.1227 -4.2395 3 526.8112459 89503 303761264 751363 a-Alanine, conf. II
388505.5650 11.1227 -4.2395 3 526.8112459 89503 303761364 751263 a-Alanine, conf. II
388505.5650 11.1227 -3.0420 3 526.8112459 89503 303761364 751363 a-Alanine, conf. II
388508.6246 11.6705 -3.2226 3 533.5728411 89503 303683830 673829 a-Alanine, conf. II
388508.6246 11.6705 -3.2226 3 533.5728411 89503 303683831 673830 a-Alanine, conf. II
388580.3431 7.4961 -4.3649 3 501.0600429 89503 303711952 702051 a-Alanine, conf. II
388580.3443 7.4961 -3.0383 3 501.0600429 89503 303712052 702051 a-Alanine, conf. II
388580.3461 7.4961 -3.0383 3 501.0600429 89503 303711952 701951 a-Alanine, conf. II
388580.3473 7.4961 -4.3649 3 501.0600429 89503 303712052 701951 a-Alanine, conf. II
388594.0626 1.5723 -4.3481 3 161.8334231 89503 303382216 372017 a-Alanine, conf. II
388595.5093 1.5721 -4.3481 3 161.8334231 89503 303382217 372018 a-Alanine, conf. II
388603.3574 12.9137 -3.7501 3 657.5814417 89503 303695514 685513 a-Alanine, conf. II
388603.3574 12.9137 -3.7501 3 657.5814417 89503 303695515 685514 a-Alanine, conf. II
388612.9215 2.7259 -3.9507 3 255.3888273 89503 303453213 443114 a-Alanine, conf. II
388612.9215 2.7259 -3.9507 3 255.3888273 89503 303453214 443113 a-Alanine, conf. II
388645.8304 10.2830 -3.0035 3 462.4205399 89503 303662740 652739 a-Alanine, conf. II
388758.4505 39.2747 -3.0228 3 541.8312489 89503 30381 576 80 575 a-Alanine, conf. II
388758.4505 39.2747 -4.1511 3 541.8312489 89503 30381 576 80 675 a-Alanine, conf. II
388758.4505 39.2747 -4.1511 3 541.8312489 89503 30381 676 80 575 a-Alanine, conf. II
388758.4505 39.2747 -3.0228 3 541.8312489 89503 30381 676 80 675 a-Alanine, conf. II
388789.3764 12.8158 -3.7071 3 649.8142417 89503 303695415 685414 a-Alanine, conf. II
388789.3764 12.8158 -3.7071 3 649.8142417 89503 303695416 685415 a-Alanine, conf. II
388813.5023 1.7760 -4.1581 3 277.0822303 89503 303502625 492524 a-Alanine, conf. II
388815.9003 1.7773 -4.1581 3 277.0822303 89503 303502624 492525 a-Alanine, conf. II
388903.5805 11.6800 -4.6103 3 273.1371309 89503 303512130 502031 a-Alanine, conf. II
388928.2772 2.4413 -4.2947 3 290.6050315 89503 303522428 512329 a-Alanine, conf. II
388953.8766 1.9271 -4.2173 3 283.5860309 89503 303512527 502426 a-Alanine, conf. II
388987.1329 12.7252 -3.6663 3 642.1971417 89503 303695316 685315 a-Alanine, conf. II
388987.1329 12.7252 -3.6663 3 642.1971417 89503 303695317 685316 a-Alanine, conf. II
389014.4863 1.9636 -4.2172 3 283.5844309 89503 303512526 502427 a-Alanine, conf. II
389016.9686 12.7415 -3.0763 3 488.8890405 89503 303673137 663136 a-Alanine, conf. II
389017.9978 0.6094 -4.3707 3 163.6004249 89503 303411229 401030 a-Alanine, conf. II
389038.2181 0.6087 -4.3707 3 163.6004249 89503 303411329 401130 a-Alanine, conf. II
389042.4122 12.8494 -3.0762 3 488.8897405 89503 303673136 663135 a-Alanine, conf. II
389048.7515 8.9967 -3.0453 3 518.9867447 89503 303741559 731558 a-Alanine, conf. II
389048.7515 8.9967 -4.2863 3 518.9867447 89503 303741559 731658 a-Alanine, conf. II
389048.7515 8.9967 -4.2863 3 518.9867447 89503 303741659 731558 a-Alanine, conf. II
389048.7515 8.9967 -3.0453 3 518.9867447 89503 303741659 731658 a-Alanine, conf. II
389126.3915 2.0010 -4.2074 3 187.0042261 89503 303431628 421429 a-Alanine, conf. II
389161.8811 11.8014 -3.2004 3 528.4803411 89503 303683731 673730 a-Alanine, conf. II
389161.8811 11.8014 -3.2004 3 528.4803411 89503 303683732 673731 a-Alanine, conf. II
389188.7790 4.6324 -3.8643 3 249.8215255 89503 3034236 6 4135 7 a-Alanine, conf. II
389188.7790 4.6324 -3.8643 3 249.8215255 89503 3034236 7 4135 6 a-Alanine, conf. II
389197.6181 12.6422 -3.6275 3 634.7308417 89503 303695217 685216 a-Alanine, conf. II
389197.6181 12.6422 -3.6275 3 634.7308417 89503 303695218 685217 a-Alanine, conf. II
389326.9022 22.5097 -3.0350 3 538.5102477 89503 30379 871 78 870 a-Alanine, conf. II
389326.9022 22.5097 -4.1886 3 538.5102477 89503 30379 871 78 970 a-Alanine, conf. II
389326.9022 22.5097 -4.1886 3 538.5102477 89503 30379 971 78 870 a-Alanine, conf. II
389326.9022 22.5097 -3.0350 3 538.5102477 89503 30379 971 78 970 a-Alanine, conf. II
389383.9927 76.3431 -3.0051 3 547.6091507 89503 30384 183 83 182 a-Alanine, conf. II
389383.9927 76.3431 -4.1062 3 547.6091507 89503 30384 183 83 282 a-Alanine, conf. II
389383.9927 76.3431 -4.1062 3 547.6091507 89503 30384 283 83 182 a-Alanine, conf. II
389383.9927 76.3431 -3.0051 3 547.6091507 89503 30384 283 83 282 a-Alanine, conf. II
389418.0642 5.1967 -3.0045 3 469.3609405 89503 303672543 662542 a-Alanine, conf. II
389421.9399 12.5670 -3.5906 3 627.4157417 89503 303695118 685117 a-Alanine, conf. II
389421.9399 12.5670 -3.5906 3 627.4157417 89503 303695119 685118 a-Alanine, conf. II
389589.8135 5.4643 -4.5073 3 478.9423411 89503 303682345 672444 a-Alanine, conf. II
389661.3411 12.5001 -3.5553 3 620.2526417 89503 303695019 685018 a-Alanine, conf. II
389661.3411 12.5001 -3.5553 3 620.2526417 89503 303695020 685019 a-Alanine, conf. II
389735.5392 5.4796 -3.0164 3 478.9423411 89503 303682445 672444 a-Alanine, conf. II
389759.9647 8.0841 -4.3434 3 509.1278435 89503 303721854 711953 a-Alanine, conf. II
389759.9648 8.0841 -3.0436 3 509.1278435 89503 303721854 711853 a-Alanine, conf. II
389759.9648 8.0841 -3.0436 3 509.1278435 89503 303721954 711953 a-Alanine, conf. II
389759.9649 8.0841 -4.3434 3 509.1278435 89503 303721954 711853 a-Alanine, conf. II
389791.0472 2.3533 -3.9785 3 259.6199279 89503 303463115 453016 a-Alanine, conf. II
389791.0472 2.3533 -3.9785 3 259.6199279 89503 303463116 453015 a-Alanine, conf. II
389847.5333 13.1024 -3.0435 3 533.2840465 89503 303771166 761165 a-Alanine, conf. II
389847.5333 13.1024 -4.2284 3 533.2840465 89503 303771166 761265 a-Alanine, conf. II
389847.5333 13.1024 -4.2284 3 533.2840465 89503 303771266 761165 a-Alanine, conf. II
389847.5333 13.1024 -3.0435 3 533.2840465 89503 303771266 761265 a-Alanine, conf. II
389890.8087 11.9742 -3.1789 3 523.5645411 89503 303683633 673632 a-Alanine, conf. II
389890.8095 11.9742 -3.1789 3 523.5645411 89503 303683632 673631 a-Alanine, conf. II
389891.6955 5.5234 -3.0160 3 478.9322411 89503 303682345 672344 a-Alanine, conf. II
389917.2219 12.4418 -3.5215 3 613.2422417 89503 303694920 684919 a-Alanine, conf. II
389917.2219 12.4418 -3.5215 3 613.2422417 89503 303694921 684920 a-Alanine, conf. II
390037.4212 5.6071 -4.5062 3 478.9322411 89503 303682445 672344 a-Alanine, conf. II
390058.8424 47.7367 -3.0218 3 546.8207495 89503 30382 478 81 477 a-Alanine, conf. II
390058.8424 47.7367 -4.1425 3 546.8207495 89503 30382 478 81 577 a-Alanine, conf. II
390058.8424 47.7367 -4.1425 3 546.8207495 89503 30382 578 81 477 a-Alanine, conf. II
390058.8424 47.7367 -3.0218 3 546.8207495 89503 30382 578 81 577 a-Alanine, conf. II
390113.6260 18.8059 -3.0123 3 465.5759399 89503 303662838 652837 a-Alanine, conf. II
390179.7371 6.3408 -3.9491 3 251.0558297 89503 303492029 481830 a-Alanine, conf. II
390191.1665 12.3927 -3.4891 3 606.3853417 89503 303694821 684820 a-Alanine, conf. II
390191.1665 12.3927 -3.4891 3 606.3853417 89503 303694822 684821 a-Alanine, conf. II
390202.8438 6.0645 -4.4582 3 488.1626417 89503 303692247 682346 a-Alanine, conf. II
390211.3759 6.0706 -3.0267 3 488.1626417 89503 303692347 682346 a-Alanine, conf. II
390221.7429 6.0771 -3.0267 3 488.1620417 89503 303692247 682246 a-Alanine, conf. II
390230.2750 6.0834 -4.4581 3 488.1620417 89503 303692347 682246 a-Alanine, conf. II
390370.8859 9.6296 -3.0482 3 526.1225453 89503 303751461 741460 a-Alanine, conf. II
390370.8859 9.6296 -4.2726 3 526.1225453 89503 303751461 741560 a-Alanine, conf. II
390370.8859 9.6296 -4.2726 3 526.1225453 89503 303751561 741460 a-Alanine, conf. II
390370.8859 9.6296 -3.0482 3 526.1225453 89503 303751561 741560 a-Alanine, conf. II
390382.6374 8.3849 -4.0173 3 239.6221291 89503 303481929 471730 a-Alanine, conf. II
390405.4468 0.4816 -4.5107 3 150.5779243 89503 303401030 39 831 a-Alanine, conf. II
390405.7912 0.4817 -4.5107 3 150.5779243 89503 303401130 39 931 a-Alanine, conf. II
390416.9978 0.8268 -4.6892 3 137.5550237 89503 30339 831 38 632 a-Alanine, conf. II
390417.0011 0.8268 -4.6892 3 137.5550237 89503 30339 931 38 732 a-Alanine, conf. II
390466.6371 4.0696 -3.8856 3 252.8046261 89503 3034335 8 4234 9 a-Alanine, conf. II
390466.6371 4.0696 -3.8856 3 252.8046261 89503 3034335 9 4234 8 a-Alanine, conf. II
390484.9762 12.3536 -3.4580 3 599.6829417 89503 303694722 684721 a-Alanine, conf. II
390484.9762 12.3536 -3.4580 3 599.6829417 89503 303694723 684722 a-Alanine, conf. II
390640.0448 89.8815 -3.0028 3 551.7607513 89503 30385 085 84 084 a-Alanine, conf. II
390640.0448 89.8815 -4.0980 3 551.7607513 89503 30385 085 84 184 a-Alanine, conf. II
390640.0448 89.8815 -4.0980 3 551.7607513 89503 30385 185 84 084 a-Alanine, conf. II
390640.0448 89.8815 -3.0028 3 551.7607513 89503 30385 185 84 184 a-Alanine, conf. II
390652.9833 27.9482 -3.0351 3 544.1381483 89503 30380 773 79 772 a-Alanine, conf. II
390652.9833 27.9482 -4.1794 3 544.1381483 89503 30380 773 79 872 a-Alanine, conf. II
390652.9833 27.9482 -4.1794 3 544.1381483 89503 30380 873 79 772 a-Alanine, conf. II
390652.9833 27.9482 -3.0351 3 544.1381483 89503 30380 873 79 872 a-Alanine, conf. II
390657.0883 13.4244 -3.0572 3 485.1487405 89503 303673038 663037 a-Alanine, conf. II
390710.9107 12.2013 -3.1580 3 518.8302411 89503 303683534 673533 a-Alanine, conf. II
390710.9192 12.2013 -3.1580 3 518.8302411 89503 303683533 673532 a-Alanine, conf. II
390800.7109 12.3251 -3.4281 3 593.1358417 89503 303694623 684622 a-Alanine, conf. II
390800.7109 12.3251 -3.4281 3 593.1358417 89503 303694624 684623 a-Alanine, conf. II
390830.5438 14.0815 -3.0568 3 485.1536405 89503 303673037 663036 a-Alanine, conf. II
390905.6703 6.4548 -3.8131 3 250.2917243 89503 3034039 1 3938 2 a-Alanine, conf. II
390905.6703 6.4548 -3.8131 3 250.2917243 89503 3034039 2 3938 1 a-Alanine, conf. II
390910.7826 2.0561 -4.0090 3 264.2292285 89503 303473017 462918 a-Alanine, conf. II
390910.7826 2.0561 -4.0090 3 264.2292285 89503 303473018 462917 a-Alanine, conf. II
390992.4116 6.7365 -4.4219 3 497.0596423 89503 303702149 692248 a-Alanine, conf. II
390992.8068 6.7369 -3.0353 3 497.0596423 89503 303702249 692248 a-Alanine, conf. II
390993.3350 6.7374 -3.0352 3 497.0595423 89503 303702149 692148 a-Alanine, conf. II
390993.7301 6.7378 -4.4219 3 497.0595423 89503 303702249 692148 a-Alanine, conf. II
390999.6863 8.6119 -3.0483 3 516.9620441 89503 303731756 721755 a-Alanine, conf. II
390999.6863 8.6119 -4.3249 3 516.9620441 89503 303731756 721855 a-Alanine, conf. II
390999.6863 8.6119 -4.3249 3 516.9620441 89503 303731856 721755 a-Alanine, conf. II
390999.6863 8.6119 -3.0483 3 516.9620441 89503 303731856 721855 a-Alanine, conf. II
391049.8553 5.3936 -3.0002 3 469.2446405 89503 303672443 662442 a-Alanine, conf. II
391064.8491 2.9682 -4.6755 3 137.4233201 89503 3033325 8 3223 9 a-Alanine, conf. II
391064.8491 2.9682 -4.6755 3 137.4233201 89503 3033325 9 322310 a-Alanine, conf. II
391067.9146 1.3154 -4.2272 3 181.8916249 89503 303412120 401921 a-Alanine, conf. II
391140.7399 12.3083 -3.3994 3 586.7453417 89503 303694524 684523 a-Alanine, conf. II
391140.7399 12.3083 -3.3994 3 586.7453417 89503 303694525 684524 a-Alanine, conf. II
391182.6815 16.2728 -4.6085 3 443.4715393 89503 303652541 642440 a-Alanine, conf. II
391188.0209 15.9033 -3.0448 3 539.5551471 89503 303781068 771067 a-Alanine, conf. II
391188.0209 15.9033 -4.2180 3 539.5551471 89503 303781068 771167 a-Alanine, conf. II
391188.0209 15.9033 -4.2180 3 539.5551471 89503 303781168 771067 a-Alanine, conf. II
391188.0209 15.9033 -3.0448 3 539.5551471 89503 303781168 771167 a-Alanine, conf. II
391266.0240 11.7930 -4.5904 3 456.3097399 89503 303662542 652441 a-Alanine, conf. II
391336.5451 1.2965 -4.2267 3 181.8824249 89503 303412121 401922 a-Alanine, conf. II
391347.8326 57.4870 -3.0205 3 551.6118501 89503 30383 380 82 379 a-Alanine, conf. II
391347.8326 57.4870 -4.1342 3 551.6118501 89503 30383 380 82 479 a-Alanine, conf. II
391347.8326 57.4870 -4.1342 3 551.6118501 89503 30383 480 82 379 a-Alanine, conf. II
391347.8326 57.4870 -3.0205 3 551.6118501 89503 30383 480 82 479 a-Alanine, conf. II
391507.8073 12.3044 -3.3717 3 580.5127417 89503 303694425 684424 a-Alanine, conf. II
391507.8073 12.3044 -3.3717 3 580.5127417 89503 303694426 684425 a-Alanine, conf. II
391643.1474 12.5008 -3.1377 3 514.2838411 89503 303683435 673434 a-Alanine, conf. II
391643.2396 12.5013 -3.1377 3 514.2838411 89503 303683434 673433 a-Alanine, conf. II
391703.9848 10.5727 -3.0507 3 533.0493459 89503 303761363 751362 a-Alanine, conf. II
391703.9848 10.5727 -4.2601 3 533.0493459 89503 303761363 751462 a-Alanine, conf. II
391703.9848 10.5727 -4.2601 3 533.0493459 89503 303761463 751362 a-Alanine, conf. II
391703.9848 10.5727 -3.0507 3 533.0493459 89503 303761463 751462 a-Alanine, conf. II
391727.5096 3.5495 -3.9084 3 256.1433267 89503 303443410 433311 a-Alanine, conf. II
391727.5096 3.5495 -3.9084 3 256.1433267 89503 303443411 433310 a-Alanine, conf. II
391905.1156 12.3150 -3.3450 3 574.4394417 89503 303694326 684325 a-Alanine, conf. II
391905.1156 12.3150 -3.3450 3 574.4394417 89503 303694327 684326 a-Alanine, conf. II
391910.0871 1.8056 -4.3280 3 300.8132321 89503 303532430 522329 a-Alanine, conf. II
391947.4612 1.8557 -4.0427 3 269.2272291 89503 303482920 472819 a-Alanine, conf. II
391947.4613 1.8557 -4.0427 3 269.2272291 89503 303482919 472820 a-Alanine, conf. II
391970.1626 34.4783 -3.0349 3 549.5676489 89503 30381 675 80 674 a-Alanine, conf. II
391970.1626 34.4783 -4.1706 3 549.5676489 89503 30381 675 80 774 a-Alanine, conf. II
391970.1626 34.4783 -4.1706 3 549.5676489 89503 30381 775 80 674 a-Alanine, conf. II
391970.1626 34.4783 -3.0349 3 549.5676489 89503 30381 775 80 774 a-Alanine, conf. II
391976.7556 7.4252 -4.3931 3 505.6708429 89503 303712051 702150 a-Alanine, conf. II
391976.7705 7.4252 -3.0425 3 505.6708429 89503 303712151 702150 a-Alanine, conf. II
391976.7921 7.4252 -3.0425 3 505.6708429 89503 303712051 702050 a-Alanine, conf. II
391976.8070 7.4252 -4.3931 3 505.6708429 89503 303712151 702050 a-Alanine, conf. II
391996.6001 5.9138 -4.4149 3 298.1623321 89503 303532330 522231 a-Alanine, conf. II
392205.9448 5.7737 -3.8313 3 252.4228249 89503 3034138 3 4037 4 a-Alanine, conf. II
392205.9448 5.7737 -3.8313 3 252.4228249 89503 3034138 4 4037 3 a-Alanine, conf. II
392276.4098 14.3639 -4.5669 3 355.6186351 89503 303582435 572334 a-Alanine, conf. II
392279.3784 9.1056 -3.0524 3 524.5718447 89503 303741658 731657 a-Alanine, conf. II
392279.3784 9.1056 -4.3086 3 524.5718447 89503 303741658 731757 a-Alanine, conf. II
392279.3784 9.1056 -4.3086 3 524.5718447 89503 303741758 731657 a-Alanine, conf. II
392279.3784 9.1056 -3.0524 3 524.5718447 89503 303741758 731757 a-Alanine, conf. II
392333.3138 1.3952 -4.1215 3 204.2620267 89503 303442025 431826 a-Alanine, conf. II
392336.4346 12.3419 -3.3192 3 568.5272417 89503 303694227 684226 a-Alanine, conf. II
392336.4346 12.3419 -3.3192 3 568.5272417 89503 303694228 684227 a-Alanine, conf. II
392385.3919 17.7728 -4.6710 3 485.5244411 89503 303682543 672642 a-Alanine, conf. II
392504.0922 13.8046 -3.0386 3 481.6563405 89503 303672939 662938 a-Alanine, conf. II
392524.3944 19.6311 -3.0457 3 545.6257477 89503 30379 970 78 969 a-Alanine, conf. II
392524.3944 19.6311 -4.2083 3 545.6257477 89503 30379 970 781069 a-Alanine, conf. II
392524.3944 19.6311 -4.2083 3 545.6257477 89503 303791070 78 969 a-Alanine, conf. II
392524.3944 19.6311 -3.0457 3 545.6257477 89503 303791070 781069 a-Alanine, conf. II
392548.6394 2.4088 -4.5319 3 146.9701213 89503 303352411 342212 a-Alanine, conf. II
392548.6395 2.4088 -4.5319 3 146.9701213 89503 303352412 342213 a-Alanine, conf. II
392576.0258 5.4653 -2.9524 3 445.6250393 89503 303652540 642539 a-Alanine, conf. II
392609.3723 2.5972 -4.1638 3 197.6269267 89503 303441728 431529 a-Alanine, conf. II
392624.9001 68.6212 -3.0190 3 556.2043507 89503 30384 282 83 281 a-Alanine, conf. II
392624.9001 68.6212 -4.1261 3 556.2043507 89503 30384 282 83 381 a-Alanine, conf. II
392624.9001 68.6212 -4.1261 3 556.2043507 89503 30384 382 83 281 a-Alanine, conf. II
392624.9001 68.6212 -3.0190 3 556.2043507 89503 30384 382 83 381 a-Alanine, conf. II
392676.3103 15.4039 -4.6183 3 775.2626423 89503 3037067 3 6967 2 a-Alanine, conf. II
392676.3103 15.4039 -4.6183 3 775.2626423 89503 3037067 4 6967 3 a-Alanine, conf. II
392716.8449 12.9003 -3.1179 3 509.9333411 89503 303683336 673335 a-Alanine, conf. II
392717.7323 12.9051 -3.1179 3 509.9333411 89503 303683335 673334 a-Alanine, conf. II
392776.2072 15.2323 -4.4764 3 765.7263423 89503 3037066 4 6966 3 a-Alanine, conf. II
392776.2072 15.2323 -4.4764 3 765.7263423 89503 3037066 5 6966 4 a-Alanine, conf. II
392777.5973 6.5840 -3.0044 3 472.4228405 89503 303672642 662641 a-Alanine, conf. II
392806.2461 12.3877 -3.2943 3 562.7778417 89503 303694128 684127 a-Alanine, conf. II
392806.2461 12.3877 -3.2943 3 562.7778417 89503 303694129 684128 a-Alanine, conf. II
392815.8921 6.5082 -4.5690 3 482.3505411 89503 303682444 672543 a-Alanine, conf. II
392863.9042 1.7724 -4.0805 3 274.6276297 89503 303492822 482721 a-Alanine, conf. II
392863.9090 1.7724 -4.0805 3 274.6276297 89503 303492821 482722 a-Alanine, conf. II
392881.4419 15.0669 -4.3629 3 756.3364423 89503 3037065 5 6965 4 a-Alanine, conf. II
392881.4419 15.0669 -4.3629 3 756.3364423 89503 3037065 6 6965 5 a-Alanine, conf. II
392906.1678 8.5556 -4.5746 3 469.2446405 89503 303672543 662442 a-Alanine, conf. II
392964.3974 3.0768 -3.9328 3 259.8424273 89503 303453312 443213 a-Alanine, conf. II
392964.3974 3.0768 -3.9328 3 259.8424273 89503 303453313 443212 a-Alanine, conf. II
392992.3523 14.9078 -4.2675 3 747.0930423 89503 3037064 6 6964 5 a-Alanine, conf. II
392992.3523 14.9078 -4.2675 3 747.0930423 89503 3037064 7 6964 6 a-Alanine, conf. II
393010.0918 20.7572 -4.6257 3 430.7237387 89503 303642540 632439 a-Alanine, conf. II
393042.4776 12.0340 -3.0529 3 539.7704465 89503 303771265 761264 a-Alanine, conf. II
393042.4776 12.0340 -4.2486 3 539.7704465 89503 303771265 761364 a-Alanine, conf. II
393042.4776 12.0340 -4.2486 3 539.7704465 89503 303771365 761264 a-Alanine, conf. II
393042.4776 12.0340 -3.0529 3 539.7704465 89503 303771365 761364 a-Alanine, conf. II
393087.6703 8.0853 -4.3693 3 514.0216435 89503 303721953 712052 a-Alanine, conf. II
393087.6707 8.0853 -3.0488 3 514.0216435 89503 303722053 712052 a-Alanine, conf. II
393087.6715 8.0853 -3.0488 3 514.0216435 89503 303721953 711952 a-Alanine, conf. II
393087.6719 8.0853 -4.3693 3 514.0216435 89503 303722053 711952 a-Alanine, conf. II
393109.3052 14.7550 -4.1846 3 737.9963423 89503 3037063 7 6963 6 a-Alanine, conf. II
393109.3052 14.7550 -4.1846 3 737.9963423 89503 3037063 8 6963 7 a-Alanine, conf. II
393232.6998 14.6086 -4.1110 3 729.0468423 89503 3037062 8 6962 7 a-Alanine, conf. II
393232.6998 14.6086 -4.1110 3 729.0468423 89503 3037062 9 6962 8 a-Alanine, conf. II
393270.7178 1.5388 -4.3159 3 169.1356237 89503 303392217 382018 a-Alanine, conf. II
393274.9312 1.5383 -4.3159 3 169.1354237 89503 303392218 382019 a-Alanine, conf. II
393277.3863 42.1742 -3.0344 3 554.7988495 89503 30382 577 81 576 a-Alanine, conf. II
393277.3863 42.1742 -4.1622 3 554.7988495 89503 30382 577 81 676 a-Alanine, conf. II
393277.3863 42.1742 -4.1622 3 554.7988495 89503 30382 677 81 576 a-Alanine, conf. II
393277.3863 42.1742 -3.0344 3 554.7988495 89503 30382 677 81 676 a-Alanine, conf. II
393309.9463 0.9961 -4.3130 3 173.8820255 89503 303421329 411130 a-Alanine, conf. II
393319.9390 12.4555 -3.2703 3 557.1937417 89503 303694029 684028 a-Alanine, conf. II
393319.9390 12.4555 -3.2703 3 557.1937417 89503 303694030 684029 a-Alanine, conf. II
393362.9708 14.4686 -4.0445 3 720.2446423 89503 3037061 9 6961 8 a-Alanine, conf. II
393362.9708 14.4686 -4.0445 3 720.2446423 89503 303706110 6961 9 a-Alanine, conf. II
393393.2697 0.9875 -4.3128 3 173.8820255 89503 303421429 411230 a-Alanine, conf. II
393422.0111 1.9233 -4.4156 3 157.5245225 89503 303372314 362115 a-Alanine, conf. II
393422.0425 1.9233 -4.4156 3 157.5245225 89503 303372315 362116 a-Alanine, conf. II
393483.3531 17.0128 -3.0364 3 481.6884405 89503 303672938 662937 a-Alanine, conf. II
393499.7508 5.1325 -3.8505 3 254.9010255 89503 3034237 5 4136 6 a-Alanine, conf. II
393499.7508 5.1325 -3.8505 3 254.9010255 89503 3034237 6 4136 5 a-Alanine, conf. II
393500.5934 14.3350 -3.9837 3 711.5900423 89503 303706010 6960 9 a-Alanine, conf. II
393500.5934 14.3350 -3.9837 3 711.5900423 89503 303706011 696010 a-Alanine, conf. II
393585.3713 9.6377 -3.0560 3 531.9640453 89503 303751560 741559 a-Alanine, conf. II
393585.3713 9.6377 -4.2941 3 531.9640453 89503 303751560 741659 a-Alanine, conf. II
393585.3713 9.6377 -4.2941 3 531.9640453 89503 303751660 741559 a-Alanine, conf. II
393585.3713 9.6377 -3.0560 3 531.9640453 89503 303751660 741659 a-Alanine, conf. II
393601.0204 1.8118 -4.1239 3 280.4487303 89503 303502724 492623 a-Alanine, conf. II
393601.2256 1.8119 -4.1239 3 280.4487303 89503 303502723 492624 a-Alanine, conf. II
393617.3618 2.5120 -4.0984 3 210.7229273 89503 303451927 441728 a-Alanine, conf. II
393622.0185 17.4764 -2.9557 3 447.5448393 89503 303652639 642638 a-Alanine, conf. II
393646.0872 14.2081 -3.9277 3 703.0833423 89503 303705911 695910 a-Alanine, conf. II
393646.0872 14.2081 -3.9277 3 703.0833423 89503 303705912 695911 a-Alanine, conf. II
393773.4258 5.4979 -3.0154 3 482.3505411 89503 303682544 672543 a-Alanine, conf. II
393800.0221 14.0879 -3.8755 3 694.7250423 89503 303705812 695811 a-Alanine, conf. II
393800.0221 14.0879 -3.8755 3 694.7250423 89503 303705813 695812 a-Alanine, conf. II
393854.5997 24.3609 -3.0463 3 551.4968483 89503 30380 872 79 871 a-Alanine, conf. II
393854.5997 24.3609 -4.1991 3 551.4968483 89503 30380 872 79 971 a-Alanine, conf. II
393854.5997 24.3609 -4.1991 3 551.4968483 89503 30380 972 79 871 a-Alanine, conf. II
393854.5997 24.3609 -3.0463 3 551.4968483 89503 30380 972 79 971 a-Alanine, conf. II
393884.0798 12.5494 -3.2470 3 551.7774417 89503 303693930 683929 a-Alanine, conf. II
393884.0798 12.5494 -3.2470 3 551.7774417 89503 303693931 683930 a-Alanine, conf. II
393889.6568 81.2418 -3.0172 3 560.5976513 89503 30385 184 84 183 a-Alanine, conf. II
393889.6568 81.2418 -4.1181 3 560.5976513 89503 30385 184 84 283 a-Alanine, conf. II
393889.6568 81.2418 -4.1181 3 560.5976513 89503 30385 284 84 183 a-Alanine, conf. II
393889.6568 81.2418 -3.0172 3 560.5976513 89503 30385 284 84 283 a-Alanine, conf. II
393963.0245 13.9744 -3.8267 3 686.5154423 89503 303705713 695712 a-Alanine, conf. II
393963.0245 13.9744 -3.8267 3 686.5154423 89503 303705714 695713 a-Alanine, conf. II
393964.3463 2.1014 -4.2387 3 293.4734315 89503 303522528 512427 a-Alanine, conf. II
393973.7361 13.4379 -3.0984 3 505.7891411 89503 303683237 673236 a-Alanine, conf. II
393981.2995 13.4746 -3.0984 3 505.7893411 89503 303683236 673235 a-Alanine, conf. II
393985.7372 5.9363 -4.5014 3 491.9425417 89503 303692346 682445 a-Alanine, conf. II
394054.7390 1.9519 -4.1750 3 286.7167309 89503 303512626 502525 a-Alanine, conf. II
394054.7766 5.9594 -3.0274 3 491.9425417 89503 303692446 682445 a-Alanine, conf. II
394061.1801 1.9560 -4.1750 3 286.7165309 89503 303512625 502526 a-Alanine, conf. II
394108.9788 12.8241 -3.0216 3 478.4175405 89503 303672840 662839 a-Alanine, conf. II
394110.4130 2.1989 -4.2384 3 293.4696315 89503 303522527 512428 a-Alanine, conf. II
394131.4629 5.9888 -3.0272 3 491.9376417 89503 303692346 682345 a-Alanine, conf. II
394135.7845 13.8680 -3.7808 3 678.4548423 89503 303705614 695613 a-Alanine, conf. II
394135.7845 13.8680 -3.7808 3 678.4548423 89503 303705615 695614 a-Alanine, conf. II
394167.6776 2.6593 -3.9592 3 263.9075279 89503 303463214 453115 a-Alanine, conf. II
394167.6776 2.6593 -3.9592 3 263.9075279 89503 303463215 453114 a-Alanine, conf. II
394192.9334 3.0669 -4.3242 3 300.7563321 89503 303532429 522330 a-Alanine, conf. II
394200.5023 6.0290 -4.5008 3 491.9376417 89503 303692446 682345 a-Alanine, conf. II
394280.7972 8.6869 -4.3491 3 522.1288441 89503 303731855 721954 a-Alanine, conf. II
394280.7972 8.6869 -3.0543 3 522.1288441 89503 303731955 721954 a-Alanine, conf. II
394280.7973 8.6869 -3.0543 3 522.1288441 89503 303731855 721854 a-Alanine, conf. II
394280.7973 8.6869 -4.3491 3 522.1288441 89503 303731955 721854 a-Alanine, conf. II
394319.0647 13.7687 -3.7374 3 670.5438423 89503 303705515 695514 a-Alanine, conf. II
394319.0647 13.7687 -3.7374 3 670.5438423 89503 303705516 695515 a-Alanine, conf. II
394382.1670 14.2114 -3.0547 3 546.2879471 89503 303781167 771166 a-Alanine, conf. II
394382.1670 14.2114 -4.2380 3 546.2879471 89503 303781167 771266 a-Alanine, conf. II
394382.1670 14.2114 -4.2380 3 546.2879471 89503 303781267 771166 a-Alanine, conf. II
394382.1670 14.2114 -3.0547 3 546.2879471 89503 303781267 771266 a-Alanine, conf. II
394466.2466 9.8469 -3.0094 3 475.3844405 89503 303672741 662740 a-Alanine, conf. II
394506.7952 12.6751 -3.2245 3 546.5321417 89503 303693831 683830 a-Alanine, conf. II
394506.7952 12.6751 -3.2245 3 546.5321417 89503 303693832 683831 a-Alanine, conf. II
394513.7098 13.6769 -3.6963 3 662.7828423 89503 303705416 695415 a-Alanine, conf. II
394513.7098 13.6769 -3.6963 3 662.7828423 89503 303705417 695416 a-Alanine, conf. II
394573.8282 51.1186 -3.0336 3 559.8316501 89503 30383 479 82 478 a-Alanine, conf. II
394573.8282 51.1186 -4.1540 3 559.8316501 89503 30383 479 82 578 a-Alanine, conf. II
394573.8282 51.1186 -4.1540 3 559.8316501 89503 30383 579 82 478 a-Alanine, conf. II
394573.8282 51.1186 -3.0336 3 559.8316501 89503 30383 579 82 578 a-Alanine, conf. II
394607.2760 6.5984 -4.4572 3 501.1786423 89503 303702248 692347 a-Alanine, conf. II
394611.0750 6.6017 -3.0375 3 501.1786423 89503 303702348 692347 a-Alanine, conf. II
394615.8081 6.6052 -3.0375 3 501.1784423 89503 303702248 692247 a-Alanine, conf. II
394619.6071 6.6085 -4.4572 3 501.1784423 89503 303702348 692247 a-Alanine, conf. II
394672.2045 5.6254 -3.0131 3 482.2886411 89503 303682444 672443 a-Alanine, conf. II
394692.8408 1.3506 -4.2012 3 189.8723255 89503 303422121 411922 a-Alanine, conf. II
394720.6584 13.5926 -3.6572 3 655.1723423 89503 303705317 695316 a-Alanine, conf. II
394720.6584 13.5926 -3.6572 3 655.1723423 89503 303705318 695317 a-Alanine, conf. II
394783.9356 4.5317 -3.8710 3 257.7292261 89503 3034336 7 4235 8 a-Alanine, conf. II
394783.9356 4.5317 -3.8710 3 257.7292261 89503 3034336 8 4235 7 a-Alanine, conf. II
394908.0253 10.3377 -3.0592 3 539.1439459 89503 303761462 751461 a-Alanine, conf. II
394908.0253 10.3377 -4.2811 3 539.1439459 89503 303761462 751561 a-Alanine, conf. II
394908.0253 10.3377 -4.2811 3 539.1439459 89503 303761562 751461 a-Alanine, conf. II
394908.0253 10.3377 -3.0592 3 539.1439459 89503 303761562 751561 a-Alanine, conf. II
394940.9573 13.5163 -3.6199 3 647.7130423 89503 303705218 695217 a-Alanine, conf. II
394940.9573 13.5163 -3.6199 3 647.7130423 89503 303705219 695218 a-Alanine, conf. II
395141.8279 95.4573 -3.0151 3 564.7911519 89503 30386 086 85 085 a-Alanine, conf. II
395141.8279 95.4573 -4.1102 3 564.7911519 89503 30386 086 85 185 a-Alanine, conf. II
395141.8279 95.4573 -4.1102 3 564.7911519 89503 30386 186 85 085 a-Alanine, conf. II
395141.8279 95.4573 -3.0151 3 564.7911519 89503 30386 186 85 185 a-Alanine, conf. II
395175.7775 13.4483 -3.5842 3 640.4054423 89503 303705119 695118 a-Alanine, conf. II
395175.7775 13.4483 -3.5842 3 640.4054423 89503 303705120 695119 a-Alanine, conf. II
395177.0241 30.1588 -3.0467 3 557.1689489 89503 30381 774 80 773 a-Alanine, conf. II
395177.0241 30.1588 -4.1903 3 557.1689489 89503 30381 774 80 873 a-Alanine, conf. II
395177.0241 30.1588 -4.1903 3 557.1689489 89503 30381 874 80 773 a-Alanine, conf. II
395177.0241 30.1588 -3.0467 3 557.1689489 89503 30381 874 80 873 a-Alanine, conf. II
395181.5400 2.0703 -4.3652 3 311.2379327 89503 303542431 532330 a-Alanine, conf. II
395198.3319 12.8402 -3.2027 3 541.4614417 89503 303693733 683732 a-Alanine, conf. II
395198.3320 12.8402 -3.2027 3 541.4614417 89503 303693732 683731 a-Alanine, conf. II
395208.9536 7.0664 -3.8015 3 255.8229243 89503 3034040 0 3939 1 a-Alanine, conf. II
395208.9536 7.0664 -3.8015 3 255.8229243 89503 3034040 1 3939 0 a-Alanine, conf. II
395270.4046 12.6573 -4.7252 3 261.0032303 89503 303502030 491931 a-Alanine, conf. II
395307.7851 7.6293 -4.0908 3 228.2635285 89503 303471829 461630 a-Alanine, conf. II
395309.0024 1.3098 -4.2001 3 189.8510255 89503 303422122 411923 a-Alanine, conf. II
395323.9280 2.3104 -3.9880 3 268.3458285 89503 303473116 463017 a-Alanine, conf. II
395323.9280 2.3104 -3.9880 3 268.3458285 89503 303473117 463016 a-Alanine, conf. II
395426.4345 13.3890 -3.5501 3 633.2503423 89503 303705020 695019 a-Alanine, conf. II
395426.4345 13.3890 -3.5501 3 633.2503423 89503 303705021 695020 a-Alanine, conf. II
395448.7553 7.3089 -4.4238 3 510.1017429 89503 303712150 702249 a-Alanine, conf. II
395448.9225 7.3091 -3.0460 3 510.1017429 89503 303712250 702249 a-Alanine, conf. II
395449.1504 7.3094 -3.0460 3 510.1017429 89503 303712150 702149 a-Alanine, conf. II
395449.3176 7.3096 -4.4238 3 510.1017429 89503 303712250 702149 a-Alanine, conf. II
395467.7809 14.1354 -3.0793 3 501.8652411 89503 303683138 673137 a-Alanine, conf. II
395524.0554 14.3818 -3.0792 3 501.8667411 89503 303683137 673136 a-Alanine, conf. II
395528.4625 9.2280 -3.0591 3 530.0043447 89503 303741757 731756 a-Alanine, conf. II
395528.4625 9.2280 -4.3316 3 530.0043447 89503 303741757 731856 a-Alanine, conf. II
395528.4625 9.2280 -4.3316 3 530.0043447 89503 303741857 731756 a-Alanine, conf. II
395528.4625 9.2280 -3.0591 3 530.0043447 89503 303741857 731856 a-Alanine, conf. II
395536.1998 0.4422 -4.4385 3 160.6883249 89503 303411130 40 931 a-Alanine, conf. II
395537.9956 0.4423 -4.4385 3 160.6883249 89503 303411230 401031 a-Alanine, conf. II
395629.7382 6.9090 -4.5619 3 482.2886411 89503 303682544 672443 a-Alanine, conf. II
395694.4124 13.3390 -3.5174 3 626.2485423 89503 303704921 694920 a-Alanine, conf. II
395694.4124 13.3390 -3.5174 3 626.2485423 89503 303704922 694921 a-Alanine, conf. II
395719.8404 17.2564 -3.0562 3 552.6037477 89503 303791069 781068 a-Alanine, conf. II
395719.8404 17.2564 -4.2281 3 552.6037477 89503 303791069 781168 a-Alanine, conf. II
395719.8404 17.2564 -4.2281 3 552.6037477 89503 303791169 781068 a-Alanine, conf. II
395719.8404 17.2564 -3.0562 3 552.6037477 89503 303791169 781168 a-Alanine, conf. II
395838.7320 10.4143 -4.5171 3 344.1143345 89503 303572434 562333 a-Alanine, conf. II
395858.8472 61.4024 -3.0326 3 564.6658507 89503 30384 381 83 380 a-Alanine, conf. II
395858.8472 61.4024 -4.1460 3 564.6658507 89503 30384 381 83 480 a-Alanine, conf. II
395858.8472 61.4024 -4.1460 3 564.6658507 89503 30384 481 83 380 a-Alanine, conf. II
395858.8472 61.4024 -3.0326 3 564.6658507 89503 30384 481 83 480 a-Alanine, conf. II
395935.9004 4.6812 -2.9689 3 458.7199399 89503 303662541 652540 a-Alanine, conf. II
395971.9041 13.0553 -3.1815 3 536.5698417 89503 303693634 683633 a-Alanine, conf. II
395971.9061 13.0553 -3.1815 3 536.5698417 89503 303693633 683632 a-Alanine, conf. II
395981.3929 13.2990 -3.4860 3 619.4007423 89503 303704822 694821 a-Alanine, conf. II
395981.3929 13.2990 -3.4860 3 619.4007423 89503 303704823 694822 a-Alanine, conf. II
396054.2519 3.9730 -3.8928 3 260.9107267 89503 3034435 9 433410 a-Alanine, conf. II
396054.2519 3.9730 -3.8928 3 260.9107267 89503 303443510 4334 9 a-Alanine, conf. II
396072.9474 0.7072 -4.5951 3 147.4767243 89503 30340 931 39 732 a-Alanine, conf. II
396072.9694 0.7072 -4.5951 3 147.4767243 89503 303401031 39 832 a-Alanine, conf. II
396240.3393 11.3912 -3.0619 3 546.1152465 89503 303771364 761363 a-Alanine, conf. II
396240.3393 11.3912 -4.2692 3 546.1152465 89503 303771364 761463 a-Alanine, conf. II
396240.3393 11.3912 -4.2692 3 546.1152465 89503 303771464 761363 a-Alanine, conf. II
396240.3393 11.3912 -3.0619 3 546.1152465 89503 303771464 761463 a-Alanine, conf. II
396289.2923 13.2696 -3.4558 3 612.7080423 89503 303704723 694722 a-Alanine, conf. II
396289.2923 13.2696 -3.4558 3 612.7080423 89503 303704724 694723 a-Alanine, conf. II
396353.8036 23.1329 -2.9827 3 462.8245399 89503 303662739 652738 a-Alanine, conf. II
396374.9140 2.8984 -4.6213 3 143.6744207 89503 3033425 9 332310 a-Alanine, conf. II
396374.9140 2.8984 -4.6213 3 143.6744207 89503 303342510 332311 a-Alanine, conf. II
396414.0413 2.0495 -4.0194 3 273.1659291 89503 303483018 472919 a-Alanine, conf. II
396414.0413 2.0495 -4.0194 3 273.1659291 89503 303483019 472918 a-Alanine, conf. II
396466.1428 8.0264 -4.3969 3 518.7458435 89503 303722052 712151 a-Alanine, conf. II
396466.1488 8.0264 -3.0533 3 518.7458435 89503 303722152 712151 a-Alanine, conf. II
396466.1577 8.0264 -3.0533 3 518.7458435 89503 303722052 712051 a-Alanine, conf. II
396466.1637 8.0264 -4.3969 3 518.7458435 89503 303722152 712051 a-Alanine, conf. II
396490.3974 37.0935 -3.0467 3 562.6423495 89503 30382 676 81 675 a-Alanine, conf. II
396490.3974 37.0935 -4.1819 3 562.6423495 89503 30382 676 81 775 a-Alanine, conf. II
396490.3974 37.0935 -4.1819 3 562.6423495 89503 30382 776 81 675 a-Alanine, conf. II
396490.3974 37.0935 -3.0467 3 562.6423495 89503 30382 776 81 775 a-Alanine, conf. II
396511.1219 6.3460 -3.8190 3 257.8032249 89503 3034139 2 4038 3 a-Alanine, conf. II
396511.1219 6.3460 -3.8190 3 257.8032249 89503 3034139 3 4038 2 a-Alanine, conf. II
396620.3056 13.2520 -3.4267 3 606.1715423 89503 303704624 694623 a-Alanine, conf. II
396620.3056 13.2520 -3.4267 3 606.1715423 89503 303704625 694624 a-Alanine, conf. II
396699.8042 23.5802 -4.6355 3 418.0755381 89503 303632539 622438 a-Alanine, conf. II
396733.1489 3.0625 -4.1259 3 208.4403273 89503 303451828 441629 a-Alanine, conf. II
396812.4854 9.7436 -3.0634 3 537.6568453 89503 303751659 741658 a-Alanine, conf. II
396812.4854 9.7436 -4.3162 3 537.6568453 89503 303751659 741758 a-Alanine, conf. II
396812.4854 9.7436 -4.3162 3 537.6568453 89503 303751759 741658 a-Alanine, conf. II
396812.4854 9.7436 -3.0634 3 537.6568453 89503 303751759 741758 a-Alanine, conf. II
396845.0302 13.3360 -3.1610 3 531.8629417 89503 303693535 683534 a-Alanine, conf. II
396845.0533 13.3362 -3.1610 3 531.8629417 89503 303693534 683533 a-Alanine, conf. II
396976.9639 13.2472 -3.3986 3 599.7924423 89503 303704525 694524 a-Alanine, conf. II
396976.9639 13.2472 -3.3986 3 599.7924423 89503 303704526 694525 a-Alanine, conf. II
397025.7177 1.5658 -4.2614 3 184.3728261 89503 303431429 421230 a-Alanine, conf. II
397053.0082 21.2721 -3.0574 3 558.7189483 89503 30380 971 79 970 a-Alanine, conf. II
397053.0082 21.2721 -4.2188 3 558.7189483 89503 30380 971 791070 a-Alanine, conf. II
397053.0082 21.2721 -4.2188 3 558.7189483 89503 303801071 79 970 a-Alanine, conf. II
397053.0082 21.2721 -3.0574 3 558.7189483 89503 303801071 791070 a-Alanine, conf. II
397131.9558 73.1238 -3.0313 3 569.3009513 89503 30385 283 84 282 a-Alanine, conf. II
397131.9558 73.1238 -4.1382 3 569.3009513 89503 30385 283 84 382 a-Alanine, conf. II
397131.9558 73.1238 -4.1382 3 569.3009513 89503 30385 383 84 282 a-Alanine, conf. II
397131.9558 73.1238 -3.0313 3 569.3009513 89503 30385 383 84 382 a-Alanine, conf. II
397224.4324 3.5301 -4.4097 3 321.9212333 89503 303552432 542331 a-Alanine, conf. II
397228.0335 14.8434 -3.0604 3 498.1796411 89503 303683039 673038 a-Alanine, conf. II
397304.9590 3.4601 -3.9162 3 264.4499273 89503 303453411 443312 a-Alanine, conf. II
397304.9590 3.4601 -3.9162 3 264.4499273 89503 303453412 443311 a-Alanine, conf. II
397336.9102 1.5163 -4.2608 3 184.3731261 89503 303431529 421330 a-Alanine, conf. II
397362.2064 13.2567 -3.3716 3 593.5720423 89503 303704426 694425 a-Alanine, conf. II
397362.2064 13.2567 -3.3716 3 593.5720423 89503 303704427 694426 a-Alanine, conf. II
397396.9768 1.7167 -4.1026 3 212.8758273 89503 303452026 441827 a-Alanine, conf. II
397410.0325 1.8992 -4.0544 3 278.3794297 89503 303492921 482820 a-Alanine, conf. II
397410.0328 1.8992 -4.0544 3 278.3794297 89503 303492920 482821 a-Alanine, conf. II
397507.5780 6.2957 -3.0145 3 485.5244411 89503 303682643 672642 a-Alanine, conf. II
397543.8912 6.4808 -4.4617 3 332.8779339 89503 303562433 552332 a-Alanine, conf. II
397577.1087 13.0134 -3.0643 3 552.8809471 89503 303781266 771265 a-Alanine, conf. II
397577.1087 13.0134 -4.2583 3 552.8809471 89503 303781266 771365 a-Alanine, conf. II
397577.1087 13.0134 -4.2583 3 552.8809471 89503 303781366 771265 a-Alanine, conf. II
397577.1087 13.0134 -3.0643 3 552.8809471 89503 303781366 771365 a-Alanine, conf. II
397584.5861 16.2269 -3.0596 3 498.1903411 89503 303683038 673037 a-Alanine, conf. II
397596.9010 8.7052 -4.3746 3 527.1336441 89503 303731954 722053 a-Alanine, conf. II
397596.9012 8.7052 -3.0597 3 527.1336441 89503 303732054 722053 a-Alanine, conf. II
397596.9015 8.7052 -3.0597 3 527.1336441 89503 303731954 721953 a-Alanine, conf. II
397596.9017 8.7052 -4.3746 3 527.1336441 89503 303732054 721953 a-Alanine, conf. II
397597.0906 6.1697 -4.5557 3 495.4854417 89503 303692445 682544 a-Alanine, conf. II
397673.2988 2.0750 -3.9935 3 252.6439297 89503 303492128 481929 a-Alanine, conf. II
397712.4154 2.3443 -4.4893 3 153.6273219 89503 303362412 352213 a-Alanine, conf. II
397712.4159 2.3443 -4.4893 3 153.6273219 89503 303362413 352214 a-Alanine, conf. II
397779.4737 13.2823 -3.3455 3 587.5120423 89503 303704327 694326 a-Alanine, conf. II
397779.4737 13.2823 -3.3455 3 587.5120423 89503 303704328 694327 a-Alanine, conf. II
397793.7205 45.2418 -3.0465 3 567.9172501 89503 30383 578 82 577 a-Alanine, conf. II
397793.7205 45.2418 -4.1738 3 567.9172501 89503 30383 578 82 677 a-Alanine, conf. II
397793.7205 45.2418 -4.1738 3 567.9172501 89503 30383 678 82 577 a-Alanine, conf. II
397793.7205 45.2418 -3.0465 3 567.9172501 89503 30383 678 82 677 a-Alanine, conf. II
397808.1110 5.6660 -3.8376 3 260.1291255 89503 3034238 4 4137 5 a-Alanine, conf. II
397808.1110 5.6660 -3.8376 3 260.1291255 89503 3034238 5 4137 4 a-Alanine, conf. II
397813.5000 1.4236 -4.1770 3 198.0806261 89503 303432122 421923 a-Alanine, conf. II
397823.9034 1.5138 -4.2857 3 176.6446243 89503 303402218 392019 a-Alanine, conf. II
397835.6088 1.5126 -4.2856 3 176.6442243 89503 303402219 392020 a-Alanine, conf. II
397841.7134 13.7057 -3.1409 3 527.3476417 89503 303693436 683435 a-Alanine, conf. II
397841.9499 13.7071 -3.1409 3 527.3476417 89503 303693435 683434 a-Alanine, conf. II
398078.3548 5.9084 -3.0268 3 495.4854417 89503 303692545 682544 a-Alanine, conf. II
398120.3688 10.3176 -3.0673 3 545.0926459 89503 303761561 751560 a-Alanine, conf. II
398120.3688 10.3176 -4.3025 3 545.0926459 89503 303761561 751660 a-Alanine, conf. II
398120.3688 10.3176 -4.3025 3 545.0926459 89503 303761661 751560 a-Alanine, conf. II
398120.3688 10.3176 -3.0673 3 545.0926459 89503 303761661 751660 a-Alanine, conf. II
398221.1466 16.4336 -4.6536 3 798.0401429 89503 3037168 3 7068 2 a-Alanine, conf. II
398221.1466 16.4336 -4.6536 3 798.0401429 89503 3037168 4 7068 3 a-Alanine, conf. II
398232.8301 13.3265 -3.3203 3 581.6141423 89503 303704228 694227 a-Alanine, conf. II
398232.8301 13.3265 -3.3203 3 581.6141423 89503 303704229 694228 a-Alanine, conf. II
398242.8558 23.1989 -3.0116 3 478.5887405 89503 303672839 662838 a-Alanine, conf. II
398269.2358 1.8753 -4.0938 3 284.0012303 89503 303502823 492722 a-Alanine, conf. II
398269.2511 1.8753 -4.0938 3 284.0012303 89503 303502822 492723 a-Alanine, conf. II
398320.4026 16.2597 -4.5114 3 788.3609429 89503 3037167 4 7067 3 a-Alanine, conf. II
398320.4026 16.2597 -4.5114 3 788.3609429 89503 3037167 5 7067 4 a-Alanine, conf. II
398358.8449 1.8712 -4.3803 3 164.5989231 89503 303382315 372116 a-Alanine, conf. II
398358.9501 1.8712 -4.3803 3 164.5989231 89503 303382316 372117 a-Alanine, conf. II
398359.6418 6.4592 -4.4977 3 505.0867423 89503 303702347 692446 a-Alanine, conf. II
398379.7242 26.3333 -3.0582 3 564.6344489 89503 30381 873 80 872 a-Alanine, conf. II
398379.7242 26.3333 -4.2101 3 564.6344489 89503 30381 873 80 972 a-Alanine, conf. II
398379.7242 26.3333 -4.2101 3 564.6344489 89503 30381 973 80 872 a-Alanine, conf. II
398379.7242 26.3333 -3.0582 3 564.6344489 89503 30381 973 80 972 a-Alanine, conf. II
398391.8003 6.4763 -3.0387 3 505.0867423 89503 303702447 692446 a-Alanine, conf. II
398392.7956 86.3876 -3.0297 3 573.7363519 89503 30386 185 85 184 a-Alanine, conf. II
398392.7956 86.3876 -4.1305 3 573.7363519 89503 30386 185 85 284 a-Alanine, conf. II
398392.7956 86.3876 -4.1305 3 573.7363519 89503 30386 285 85 184 a-Alanine, conf. II
398392.7956 86.3876 -3.0297 3 573.7363519 89503 30386 285 85 284 a-Alanine, conf. II
398424.9026 16.0921 -4.3976 3 778.8279429 89503 3037166 5 7066 4 a-Alanine, conf. II
398424.9026 16.0921 -4.3976 3 778.8279429 89503 3037166 6 7066 5 a-Alanine, conf. II
398428.6812 6.4948 -3.0387 3 505.0844423 89503 303702347 692346 a-Alanine, conf. II
398460.8397 6.5159 -4.4974 3 505.0844423 89503 303702447 692346 a-Alanine, conf. II
398528.2424 2.9993 -3.9413 3 268.3515279 89503 303463313 453214 a-Alanine, conf. II
398528.2424 2.9993 -3.9413 3 268.3515279 89503 303463314 453213 a-Alanine, conf. II
398534.9728 15.9309 -4.3018 3 769.4415429 89503 3037165 6 7065 5 a-Alanine, conf. II
398534.9728 15.9309 -4.3018 3 769.4415429 89503 3037165 7 7065 6 a-Alanine, conf. II
398535.0088 2.8697 -4.0434 3 242.9227291 89503 303482127 471928 a-Alanine, conf. II
398554.6242 5.9963 -3.0257 3 495.4534417 89503 303692445 682444 a-Alanine, conf. II
398650.9672 15.7761 -4.2186 3 760.2018429 89503 3037164 7 7064 6 a-Alanine, conf. II
398650.9672 15.7761 -4.2186 3 760.2018429 89503 3037164 8 7064 7 a-Alanine, conf. II
398668.7470 5.9497 -2.9868 3 471.9269405 89503 303672542 662541 a-Alanine, conf. II
398727.1271 13.3921 -3.2959 3 575.8804423 89503 303704129 694128 a-Alanine, conf. II
398727.1271 13.3921 -3.2959 3 575.8804423 89503 303704130 694129 a-Alanine, conf. II
398773.2700 15.6277 -4.1446 3 751.1091429 89503 3037163 8 7063 7 a-Alanine, conf. II
398773.2700 15.6277 -4.1446 3 751.1091429 89503 3037163 9 7063 8 a-Alanine, conf. II
398801.9562 9.3202 -3.0654 3 535.2806447 89503 303741856 731855 a-Alanine, conf. II
398801.9562 9.3202 -4.3556 3 535.2806447 89503 303741856 731955 a-Alanine, conf. II
398801.9562 9.3202 -4.3556 3 535.2806447 89503 303741956 731855 a-Alanine, conf. II
398801.9562 9.3202 -3.0654 3 535.2806447 89503 303741956 731955 a-Alanine, conf. II
398829.1276 2.2480 -4.2625 3 303.5782321 89503 303532529 522428 a-Alanine, conf. II
398902.2996 15.4858 -4.0778 3 742.1636429 89503 3037162 9 7062 8 a-Alanine, conf. II
398902.2996 15.4858 -4.0778 3 742.1636429 89503 303716210 7062 9 a-Alanine, conf. II
398914.3914 15.4019 -3.0664 3 559.4431477 89503 303791168 781167 a-Alanine, conf. II
398914.3914 15.4019 -4.2482 3 559.4431477 89503 303791168 781267 a-Alanine, conf. II
398914.3914 15.4019 -4.2482 3 559.4431477 89503 303791268 781167 a-Alanine, conf. II
398914.3914 15.4019 -3.0664 3 559.4431477 89503 303791268 781267 a-Alanine, conf. II
398922.4879 1.9719 -4.1392 3 290.0517309 89503 303512725 502624 a-Alanine, conf. II
398923.0786 1.9723 -4.1392 3 290.0517309 89503 303512724 502625 a-Alanine, conf. II
398995.9028 14.1991 -3.1213 3 523.0329417 89503 303693337 683336 a-Alanine, conf. II
398998.0575 14.2110 -3.1213 3 523.0330417 89503 303693336 683335 a-Alanine, conf. II
399023.9969 7.1670 -4.4576 3 514.3415429 89503 303712249 702348 a-Alanine, conf. II
399025.6667 7.1687 -3.0488 3 514.3415429 89503 303712349 702348 a-Alanine, conf. II
399027.7958 7.1706 -3.0488 3 514.3413429 89503 303712249 702248 a-Alanine, conf. II
399029.4657 7.1723 -4.4576 3 514.3413429 89503 303712349 702248 a-Alanine, conf. II
399035.8885 6.4641 -4.5522 3 495.4534417 89503 303692545 682444 a-Alanine, conf. II
399038.5123 15.3505 -4.0167 3 733.3657429 89503 303716110 7061 9 a-Alanine, conf. II
399038.5123 15.3505 -4.0167 3 733.3657429 89503 303716111 706110 a-Alanine, conf. II
399086.2120 54.6886 -3.0460 3 572.9932507 89503 30384 480 83 479 a-Alanine, conf. II
399086.2120 54.6886 -4.1659 3 572.9932507 89503 30384 480 83 579 a-Alanine, conf. II
399086.2120 54.6886 -4.1659 3 572.9932507 89503 30384 580 83 479 a-Alanine, conf. II
399086.2120 54.6886 -3.0460 3 572.9932507 89503 30384 580 83 579 a-Alanine, conf. II
399086.6003 14.8436 -3.0422 3 494.7489411 89503 303682940 672939 a-Alanine, conf. II
399097.2894 5.0266 -3.8573 3 262.8034261 89503 3034337 6 4236 7 a-Alanine, conf. II
399097.2894 5.0266 -3.8573 3 262.8034261 89503 3034337 7 4236 6 a-Alanine, conf. II
399155.4613 1.3349 -4.1748 3 198.0340261 89503 303432123 421924 a-Alanine, conf. II
399168.6070 2.4926 -4.2619 3 303.5695321 89503 303532528 522429 a-Alanine, conf. II
399182.4063 15.2218 -3.9603 3 724.7157429 89503 303716011 706010 a-Alanine, conf. II
399182.4063 15.2218 -3.9603 3 724.7157429 89503 303716012 706011 a-Alanine, conf. II
399236.0729 12.2422 -4.6369 3 498.7838417 89503 303692544 682643 a-Alanine, conf. II
399240.7835 2.1517 -4.1934 3 296.5605315 89503 303522627 512526 a-Alanine, conf. II
399257.4906 2.1638 -4.1934 3 296.5601315 89503 303522626 512527 a-Alanine, conf. II
399268.2264 13.4829 -3.2723 3 570.3135423 89503 303704030 694029 a-Alanine, conf. II
399268.2264 13.4829 -3.2723 3 570.3135423 89503 303704031 694030 a-Alanine, conf. II
399323.8465 2.3533 -3.9506 3 262.5514303 89503 303502129 491930 a-Alanine, conf. II
399334.5273 15.1000 -3.9078 3 716.2139429 89503 303715912 705911 a-Alanine, conf. II
399334.5273 15.1000 -3.9078 3 716.2139429 89503 303715913 705912 a-Alanine, conf. II
399443.2152 11.0934 -3.0707 3 552.3166465 89503 303771463 761462 a-Alanine, conf. II
399443.2152 11.0934 -4.2901 3 552.3166465 89503 303771463 761562 a-Alanine, conf. II
399443.2152 11.0934 -4.2901 3 552.3166465 89503 303771563 761462 a-Alanine, conf. II
399443.2152 11.0934 -3.0707 3 552.3166465 89503 303771563 761562 a-Alanine, conf. II
399495.4740 14.9851 -3.8586 3 707.8608429 89503 303715813 705812 a-Alanine, conf. II
399495.4740 14.9851 -3.8586 3 707.8608429 89503 303715814 705813 a-Alanine, conf. II
399641.1186101.3051 -3.0278 3 577.9716525 89503 30387 087 86 086 a-Alanine, conf. II
399641.1186101.3051 -4.1229 3 577.9716525 89503 30387 087 86 186 a-Alanine, conf. II
399641.1186101.3051 -4.1229 3 577.9716525 89503 30387 187 86 086 a-Alanine, conf. II
399641.1186101.3051 -3.0278 3 577.9716525 89503 30387 187 86 186 a-Alanine, conf. II
399665.9048 14.8772 -3.8124 3 699.6565429 89503 303715714 705713 a-Alanine, conf. II
399665.9048 14.8772 -3.8124 3 699.6565429 89503 303715715 705714 a-Alanine, conf. II
399681.4752 5.5340 -4.1380 3 217.0292279 89503 303461729 451530 a-Alanine, conf. II
399698.4583 32.5072 -3.0588 3 570.3506495 89503 30382 775 81 774 a-Alanine, conf. II
399698.4583 32.5072 -4.2017 3 570.3506495 89503 30382 775 81 874 a-Alanine, conf. II
399698.4583 32.5072 -4.2017 3 570.3506495 89503 30382 875 81 774 a-Alanine, conf. II
399698.4583 32.5072 -3.0588 3 570.3506495 89503 30382 875 81 874 a-Alanine, conf. II
399713.3458 2.6014 -3.9685 3 272.6219285 89503 303473215 463116 a-Alanine, conf. II
399713.3458 2.6014 -3.9685 3 272.6219285 89503 303473216 463115 a-Alanine, conf. II
399824.9741 4.1856 -4.3581 3 311.1240327 89503 303542430 532331 a-Alanine, conf. II
399835.8786 2.3875 -4.2154 3 195.0671267 89503 303441529 431330 a-Alanine, conf. II
399846.5458 14.7766 -3.7686 3 691.6018429 89503 303715615 705614 a-Alanine, conf. II
399846.5458 14.7766 -3.7686 3 691.6018429 89503 303715616 705615 a-Alanine, conf. II
399863.3109 13.6042 -3.2495 3 564.9160423 89503 303703931 693930 a-Alanine, conf. II
399863.3109 13.6042 -3.2495 3 564.9160423 89503 303703932 693931 a-Alanine, conf. II
399895.6855 13.2062 -4.5697 3 295.7048321 89503 303532231 522132 a-Alanine, conf. II
399912.8160 7.9158 -4.4267 3 523.2924435 89503 303722151 712250 a-Alanine, conf. II
399912.8861 7.9159 -3.0573 3 523.2924435 89503 303722251 712250 a-Alanine, conf. II
399912.9833 7.9160 -3.0573 3 523.2924435 89503 303722151 712150 a-Alanine, conf. II
399913.0533 7.9161 -4.4267 3 523.2924435 89503 303722251 712150 a-Alanine, conf. II
399960.8199 9.1803 -3.0172 3 488.5423411 89503 303682742 672741 a-Alanine, conf. II
399986.2137 3.4447 -4.7274 3 140.7521201 89503 3033326 7 3224 8 a-Alanine, conf. II
399986.2137 3.4447 -4.7274 3 140.7521201 89503 3033326 8 3224 9 a-Alanine, conf. II
400038.1996 14.6835 -3.7272 3 683.6969429 89503 303715516 705515 a-Alanine, conf. II
400038.1996 14.6835 -3.7272 3 683.6969429 89503 303715517 705516 a-Alanine, conf. II
400056.5799 9.8760 -3.0705 3 543.1977453 89503 303751758 741757 a-Alanine, conf. II
400056.5799 9.8760 -4.3391 3 543.1977453 89503 303751758 741857 a-Alanine, conf. II
400056.5799 9.8760 -4.3391 3 543.1977453 89503 303751858 741757 a-Alanine, conf. II
400056.5799 9.8760 -3.0705 3 543.1977453 89503 303751858 741857 a-Alanine, conf. II
400186.9437 1.5747 -4.1548 3 206.5273267 89503 303442123 431924 a-Alanine, conf. II
400241.7564 14.5981 -3.6877 3 675.9424429 89503 303715417 705416 a-Alanine, conf. II
400241.7564 14.5981 -3.6877 3 675.9424429 89503 303715418 705417 a-Alanine, conf. II
400249.1580 18.7052 -3.0681 3 565.8035483 89503 303801070 791069 a-Alanine, conf. II
400249.1580 18.7052 -4.2388 3 565.8035483 89503 303801070 791169 a-Alanine, conf. II
400249.1580 18.7052 -4.2388 3 565.8035483 89503 303801170 791069 a-Alanine, conf. II
400249.1580 18.7052 -3.0681 3 565.8035483 89503 303801170 791169 a-Alanine, conf. II
400261.8447 2.8511 -4.0839 3 233.4285285 89503 303472126 461927 a-Alanine, conf. II
400340.3859 13.8562 -2.9589 3 460.6746399 89503 303662640 652639 a-Alanine, conf. II
400355.2175 14.8579 -3.1021 3 518.9307417 89503 303693238 683237 a-Alanine, conf. II
400355.8104 12.8972 -3.0267 3 491.5635411 89503 303682841 672840 a-Alanine, conf. II
400367.0855 0.6258 -4.3746 3 171.0180255 89503 303421230 411031 a-Alanine, conf. II
400367.2692 65.5274 -3.0452 3 577.8702513 89503 30385 382 84 381 a-Alanine, conf. II
400367.2692 65.5274 -4.1583 3 577.8702513 89503 30385 382 84 481 a-Alanine, conf. II
400367.2692 65.5274 -4.1583 3 577.8702513 89503 30385 482 84 381 a-Alanine, conf. II
400367.2692 65.5274 -3.0452 3 577.8702513 89503 30385 482 84 481 a-Alanine, conf. II
400372.5421 14.9448 -3.1021 3 518.9311417 89503 303693237 683236 a-Alanine, conf. II
400375.1270 4.4291 -3.8783 3 265.8291267 89503 3034436 8 4335 9 a-Alanine, conf. II
400375.1270 4.4291 -3.8783 3 265.8291267 89503 3034436 9 4335 8 a-Alanine, conf. II
400375.5813 0.6255 -4.3746 3 171.0180255 89503 303421330 411131 a-Alanine, conf. II
400458.2064 14.5207 -3.6501 3 668.3388429 89503 303715318 705317 a-Alanine, conf. II
400458.2064 14.5207 -3.6501 3 668.3388429 89503 303715319 705318 a-Alanine, conf. II
400521.3303 13.7626 -3.2274 3 559.6914423 89503 303703833 693832 a-Alanine, conf. II
400521.3304 13.7626 -3.2274 3 559.6914423 89503 303703832 693831 a-Alanine, conf. II
400544.6442 9.3497 -4.4688 3 308.5604327 89503 303542331 532232 a-Alanine, conf. II
400688.6546 14.4517 -3.6141 3 660.8868429 89503 303715219 705218 a-Alanine, conf. II
400688.6546 14.4517 -3.6141 3 660.8868429 89503 303715220 705219 a-Alanine, conf. II
400774.5136 12.2689 -3.0737 3 559.3323471 89503 303781365 771364 a-Alanine, conf. II
400774.5136 12.2689 -4.2789 3 559.3323471 89503 303781365 771464 a-Alanine, conf. II
400774.5136 12.2689 -4.2789 3 559.3323471 89503 303781465 771364 a-Alanine, conf. II
400774.5136 12.2689 -3.0737 3 559.3323471 89503 303781465 771464 a-Alanine, conf. II
400814.9577 6.9534 -3.8076 3 263.3309249 89503 3034140 1 4039 2 a-Alanine, conf. II
400814.9577 6.9534 -3.8076 3 263.3309249 89503 3034140 2 4039 1 a-Alanine, conf. II
400845.2202 2.2831 -3.9981 3 277.2686291 89503 303483117 473018 a-Alanine, conf. II
400845.2202 2.2831 -3.9981 3 277.2686291 89503 303483118 473017 a-Alanine, conf. II
400883.1303 2.1737 -4.2136 3 195.0683267 89503 303441629 431430 a-Alanine, conf. II
400908.7745 20.7908 -3.0381 3 494.8136411 89503 303682939 672938 a-Alanine, conf. II
400934.3390 14.3915 -3.5796 3 653.5871429 89503 303715120 705119 a-Alanine, conf. II
400934.3390 14.3915 -3.5796 3 653.5871429 89503 303715121 705120 a-Alanine, conf. II
400959.2679 8.6604 -4.4017 3 531.9705441 89503 303732053 722152 a-Alanine, conf. II
400959.2703 8.6604 -3.0647 3 531.9705441 89503 303732153 722152 a-Alanine, conf. II
400959.2739 8.6604 -3.0647 3 531.9705441 89503 303732053 722052 a-Alanine, conf. II
400959.2763 8.6604 -4.4017 3 531.9705441 89503 303732153 722052 a-Alanine, conf. II
401008.0058 39.8647 -3.0591 3 575.8678501 89503 30383 677 82 676 a-Alanine, conf. II
401008.0058 39.8647 -4.1937 3 575.8678501 89503 30383 677 82 776 a-Alanine, conf. II
401008.0058 39.8647 -4.1937 3 575.8678501 89503 30383 777 82 676 a-Alanine, conf. II
401008.0058 39.8647 -3.0591 3 575.8678501 89503 30383 777 82 776 a-Alanine, conf. II
401067.2202 3.6437 -4.1750 3 205.9566273 89503 303451629 441430 a-Alanine, conf. II
401196.6523 14.3406 -3.5466 3 646.4403429 89503 303715021 705020 a-Alanine, conf. II
401196.6523 14.3406 -3.5466 3 646.4403429 89503 303715022 705021 a-Alanine, conf. II
401253.6621 13.9676 -3.2059 3 554.6438423 89503 303703734 693733 a-Alanine, conf. II
401253.6626 13.9676 -3.2059 3 554.6438423 89503 303703733 693732 a-Alanine, conf. II
401344.2903 10.4169 -3.0750 3 550.8930459 89503 303761660 751659 a-Alanine, conf. II
401344.2903 10.4169 -4.3245 3 550.8930459 89503 303761660 751759 a-Alanine, conf. II
401344.2903 10.4169 -4.3245 3 550.8930459 89503 303761760 751659 a-Alanine, conf. II
401344.2903 10.4169 -3.0750 3 550.8930459 89503 303761760 751759 a-Alanine, conf. II
401358.7092 6.5533 -3.0039 3 485.2251411 89503 303682543 672542 a-Alanine, conf. II
401416.2974 0.9825 -4.6911 3 144.2350243 89503 30340 832 39 633 a-Alanine, conf. II
401416.2985 0.9825 -4.6911 3 144.2350243 89503 30340 932 39 733 a-Alanine, conf. II
401477.1679 14.2998 -3.5148 3 639.4474429 89503 303714922 704921 a-Alanine, conf. II
401477.1679 14.2998 -3.5148 3 639.4474429 89503 303714923 704922 a-Alanine, conf. II
401492.9932 2.3708 -4.1123 3 224.1920279 89503 303462125 451926 a-Alanine, conf. II
401498.9067 1.8800 -4.1341 3 215.2265273 89503 303452124 441925 a-Alanine, conf. II
401519.3051 0.5627 -4.5136 3 157.6248249 89503 303411031 40 832 a-Alanine, conf. II
401519.4368 0.5627 -4.5136 3 157.6248249 89503 303411131 40 932 a-Alanine, conf. II
401579.0536 23.0238 -3.0695 3 571.9632489 89503 30381 972 80 971 a-Alanine, conf. II
401579.0536 23.0238 -4.2300 3 571.9632489 89503 30381 972 801071 a-Alanine, conf. II
401579.0536 23.0238 -4.2300 3 571.9632489 89503 303811072 80 971 a-Alanine, conf. II
401579.0536 23.0238 -3.0695 3 571.9632489 89503 303811072 801071 a-Alanine, conf. II
401636.4373 77.8586 -3.0441 3 582.5478519 89503 30386 284 85 283 a-Alanine, conf. II
401636.4373 77.8586 -4.1508 3 582.5478519 89503 30386 284 85 383 a-Alanine, conf. II
401636.4373 77.8586 -4.1508 3 582.5478519 89503 30386 384 85 283 a-Alanine, conf. II
401636.4373 77.8586 -3.0441 3 582.5478519 89503 30386 384 85 383 a-Alanine, conf. II
401636.8821 3.8763 -3.9007 3 269.2099273 89503 303453510 443411 a-Alanine, conf. II
401636.8821 3.8763 -3.9007 3 269.2099273 89503 303453511 443410 a-Alanine, conf. II
401648.1093 2.8276 -4.5722 3 150.1218213 89503 303352510 342311 a-Alanine, conf. II
401648.1093 2.8276 -4.5722 3 150.1218213 89503 303352511 342312 a-Alanine, conf. II
401665.9736 23.6512 -4.6296 3 405.5561375 89503 303622538 612437 a-Alanine, conf. II
401777.6717 14.2697 -3.4842 3 632.6092429 89503 303714823 704822 a-Alanine, conf. II
401777.6717 14.2697 -3.4842 3 632.6092429 89503 303714824 704823 a-Alanine, conf. II
401902.3276 2.0668 -4.0307 3 282.3012297 89503 303493019 482920 a-Alanine, conf. II
401902.3276 2.0668 -4.0307 3 282.3012297 89503 303493020 482919 a-Alanine, conf. II
401972.9238 15.6662 -3.0831 3 515.0566417 89503 303693139 683138 a-Alanine, conf. II
402033.7297 6.2812 -3.0258 3 498.7838417 89503 303692644 682643 a-Alanine, conf. II
402075.1271 14.2326 -3.1851 3 549.7780423 89503 303703635 693634 a-Alanine, conf. II
402075.1328 14.2326 -3.1851 3 549.7780423 89503 303703634 693633 a-Alanine, conf. II
402093.6752 16.2104 -3.0828 3 515.0600417 89503 303693138 683137 a-Alanine, conf. II
402100.2027 14.2512 -3.4548 3 625.9268429 89503 303714724 704723 a-Alanine, conf. II
402100.2027 14.2512 -3.4548 3 625.9268429 89503 303714725 704724 a-Alanine, conf. II
402107.5519 9.3569 -4.3807 3 540.3960447 89503 303741955 732054 a-Alanine, conf. II
402107.5520 9.3569 -3.0712 3 540.3960447 89503 303742055 732054 a-Alanine, conf. II
402107.5521 9.3569 -3.0712 3 540.3960447 89503 303741955 731954 a-Alanine, conf. II
402107.5522 9.3569 -4.3807 3 540.3960447 89503 303742055 731954 a-Alanine, conf. II
402109.3941 14.0649 -3.0763 3 566.1426477 89503 303791267 781266 a-Alanine, conf. II
402109.3941 14.0649 -4.2685 3 566.1426477 89503 303791267 781366 a-Alanine, conf. II
402109.3941 14.0649 -4.2685 3 566.1426477 89503 303791367 781266 a-Alanine, conf. II
402109.3941 14.0649 -3.0763 3 566.1426477 89503 303791367 781366 a-Alanine, conf. II
402114.3974 6.2338 -3.8255 3 265.5054255 89503 3034239 3 4138 4 a-Alanine, conf. II
402114.3974 6.2338 -3.8255 3 265.5054255 89503 3034239 4 4138 3 a-Alanine, conf. II
402130.8108 6.4185 -4.5468 3 508.7638423 89503 303702446 692545 a-Alanine, conf. II
402231.6390 1.4999 -4.2573 3 184.3624249 89503 303412219 402020 a-Alanine, conf. II
402262.6977 1.4968 -4.2572 3 184.3613249 89503 303412220 402021 a-Alanine, conf. II
402278.0412 9.9334 -3.9821 3 260.7695303 89503 303502030 491831 a-Alanine, conf. II
402307.4202 48.4847 -3.0591 3 581.1861507 89503 30384 579 83 578 a-Alanine, conf. II
402307.4202 48.4847 -4.1859 3 581.1861507 89503 30384 579 83 678 a-Alanine, conf. II
402307.4202 48.4847 -4.1859 3 581.1861507 89503 30384 679 83 578 a-Alanine, conf. II
402307.4202 48.4847 -3.0591 3 581.1861507 89503 30384 679 83 678 a-Alanine, conf. II
402367.3570 6.3891 -3.0388 3 508.7638423 89503 303702546 692545 a-Alanine, conf. II
402373.1531 3.2304 -4.0966 3 219.4440279 89503 303461928 451729 a-Alanine, conf. II
402447.1014 14.2456 -3.4264 3 619.4013429 89503 303714625 704624 a-Alanine, conf. II
402447.1014 14.2456 -3.4264 3 619.4013429 89503 303714626 704625 a-Alanine, conf. II
402607.4577 27.6464 -4.7321 3 515.3971423 89503 303702644 692743 a-Alanine, conf. II
402612.0750 6.4522 -3.0382 3 508.7478423 89503 303702446 692445 a-Alanine, conf. II
402653.6290 11.0392 -3.0790 3 558.3725465 89503 303771562 761561 a-Alanine, conf. II
402653.6290 11.0392 -4.3115 3 558.3725465 89503 303771562 761661 a-Alanine, conf. II
402653.6290 11.0392 -4.3115 3 558.3725465 89503 303771662 761561 a-Alanine, conf. II
402653.6290 11.0392 -3.0790 3 558.3725465 89503 303771662 761661 a-Alanine, conf. II
402733.4722 7.0200 -4.4959 3 518.3756429 89503 303712348 702447 a-Alanine, conf. II
402748.2213 7.0305 -3.0506 3 518.3756429 89503 303712448 702447 a-Alanine, conf. II
402765.6307 7.0415 -3.0505 3 518.3746429 89503 303712348 702347 a-Alanine, conf. II
402780.3797 7.0529 -4.4958 3 518.3746429 89503 303712448 702347 a-Alanine, conf. II
402821.0737 14.2542 -3.3991 3 613.0341429 89503 303714526 704525 a-Alanine, conf. II
402821.0737 14.2542 -3.3991 3 613.0341429 89503 303714527 704526 a-Alanine, conf. II
402822.7527 2.2804 -4.4499 3 160.4833225 89503 303372413 362214 a-Alanine, conf. II
402822.7545 2.2804 -4.4499 3 160.4833225 89503 303372414 362215 a-Alanine, conf. II
402848.6213 6.6284 -4.5451 3 508.7478423 89503 303702546 692445 a-Alanine, conf. II
402852.8547 1.9742 -4.0669 3 287.7321303 89503 303502922 492821 a-Alanine, conf. II
402852.8557 1.9742 -4.0669 3 287.7321303 89503 303502921 492822 a-Alanine, conf. II
402876.1536 3.3731 -3.9246 3 272.9503279 89503 303463412 453313 a-Alanine, conf. II
402876.1536 3.3731 -3.9246 3 272.9503279 89503 303463413 453312 a-Alanine, conf. II
402893.3874 91.7898 -3.0427 3 587.0253525 89503 30387 186 86 185 a-Alanine, conf. II
402893.3874 91.7898 -4.1434 3 587.0253525 89503 30387 186 86 285 a-Alanine, conf. II
402893.3874 91.7898 -4.1434 3 587.0253525 89503 30387 286 86 185 a-Alanine, conf. II
402893.3874 91.7898 -3.0427 3 587.0253525 89503 30387 286 86 285 a-Alanine, conf. II
402902.2339 28.4325 -3.0706 3 577.9229495 89503 30382 874 81 873 a-Alanine, conf. II
402902.2339 28.4325 -4.2216 3 577.9229495 89503 30382 874 81 973 a-Alanine, conf. II
402902.2339 28.4325 -4.2216 3 577.9229495 89503 30382 974 81 873 a-Alanine, conf. II
402902.2339 28.4325 -3.0706 3 577.9229495 89503 30382 974 81 973 a-Alanine, conf. II
402947.1982 1.3768 -4.1509 3 206.4306267 89503 303442124 431925 a-Alanine, conf. II
403005.6163 14.5774 -3.1648 3 545.1002423 89503 303703536 693535 a-Alanine, conf. II
403005.6772 14.5778 -3.1648 3 545.1002423 89503 303703535 693534 a-Alanine, conf. II
403213.9269 1.8234 -4.3473 3 171.8760237 89503 303392316 382117 a-Alanine, conf. II
403214.2621 1.8233 -4.3473 3 171.8760237 89503 303392317 382118 a-Alanine, conf. II
403225.2701 14.2787 -3.3726 3 606.8266429 89503 303714427 704426 a-Alanine, conf. II
403225.2701 14.2787 -3.3726 3 606.8266429 89503 303714428 704427 a-Alanine, conf. II
403323.1391 9.9853 -3.0771 3 548.5832453 89503 303751857 741856 a-Alanine, conf. II
403323.1391 9.9853 -4.3628 3 548.5832453 89503 303751857 741956 a-Alanine, conf. II
403323.1391 9.9853 -4.3628 3 548.5832453 89503 303751957 741856 a-Alanine, conf. II
403323.1391 9.9853 -3.0771 3 548.5832453 89503 303751957 741956 a-Alanine, conf. II
403333.8493 2.2614 -4.0884 3 221.6739279 89503 303462027 451828 a-Alanine, conf. II
403407.5041 5.5552 -3.8445 3 268.0267261 89503 3034338 5 4237 6 a-Alanine, conf. II
403407.5041 5.5552 -3.8445 3 268.0267261 89503 3034338 6 4237 5 a-Alanine, conf. II
403444.1505 16.6786 -3.0786 3 572.7495483 89503 303801169 791168 a-Alanine, conf. II
403444.1505 16.6786 -4.2590 3 572.7495483 89503 303801169 791268 a-Alanine, conf. II
403444.1505 16.6786 -4.2590 3 572.7495483 89503 303801269 791168 a-Alanine, conf. II
403444.1505 16.6786 -3.0786 3 572.7495483 89503 303801269 791268 a-Alanine, conf. II
403452.3262 7.7718 -4.4593 3 527.6515435 89503 303722250 712349 a-Alanine, conf. II
403453.0514 7.7727 -3.0605 3 527.6515435 89503 303722350 712349 a-Alanine, conf. II
403453.9960 7.7736 -3.0605 3 527.6515435 89503 303722250 712249 a-Alanine, conf. II
403454.7213 7.7745 -4.4593 3 527.6515435 89503 303722350 712249 a-Alanine, conf. II
403466.4416 2.3194 -4.2892 3 313.9052327 89503 303542530 532429 a-Alanine, conf. II
403595.9640 58.4546 -3.0588 3 586.3053513 89503 30385 481 84 480 a-Alanine, conf. II
403595.9640 58.4546 -4.1784 3 586.3053513 89503 30385 481 84 580 a-Alanine, conf. II
403595.9640 58.4546 -4.1784 3 586.3053513 89503 30385 581 84 480 a-Alanine, conf. II
403595.9640 58.4546 -3.0588 3 586.3053513 89503 30385 581 84 580 a-Alanine, conf. II
403647.6558 2.0123 -4.1080 3 293.5778309 89503 303512824 502723 a-Alanine, conf. II
403647.7031 2.0123 -4.1080 3 293.5778309 89503 303512823 502724 a-Alanine, conf. II
403663.3905 14.3214 -3.3471 3 600.7805429 89503 303714328 704327 a-Alanine, conf. II
403663.3905 14.3214 -3.3471 3 600.7805429 89503 303714329 704328 a-Alanine, conf. II
403763.2548 17.5200 -4.6898 3 821.1454435 89503 3037269 3 7169 2 a-Alanine, conf. II
403763.2548 17.5200 -4.6898 3 821.1454435 89503 3037269 4 7169 3 a-Alanine, conf. II
403832.4812 16.2793 -3.0644 3 511.4297417 89503 303693040 683039 a-Alanine, conf. II
403861.8729 17.3439 -4.5472 3 811.3233435 89503 3037268 4 7168 3 a-Alanine, conf. II
403861.8729 17.3439 -4.5472 3 811.3233435 89503 3037268 5 7168 4 a-Alanine, conf. II
403965.6445 17.1741 -4.4331 3 801.6474435 89503 3037267 5 7167 4 a-Alanine, conf. II
403965.6445 17.1741 -4.4331 3 801.6474435 89503 3037267 6 7167 5 a-Alanine, conf. II
403976.3655 11.9003 -3.0827 3 565.6406471 89503 303781464 771463 a-Alanine, conf. II
403976.3655 11.9003 -4.2998 3 565.6406471 89503 303781464 771563 a-Alanine, conf. II
403976.3655 11.9003 -4.2998 3 565.6406471 89503 303781564 771463 a-Alanine, conf. II
403976.3655 11.9003 -3.0827 3 565.6406471 89503 303781564 771563 a-Alanine, conf. II
404072.7494 15.0318 -3.1451 3 540.6182423 89503 303703437 693436 a-Alanine, conf. II
404073.3401 15.0355 -3.1451 3 540.6182423 89503 303703436 693435 a-Alanine, conf. II
404074.8847 17.0108 -4.3370 3 792.1180435 89503 3037266 6 7166 5 a-Alanine, conf. II
404074.8847 17.0108 -4.3370 3 792.1180435 89503 3037266 7 7166 6 a-Alanine, conf. II
404084.2273 2.9282 -3.9505 3 277.0555285 89503 303473314 463215 a-Alanine, conf. II
404084.2273 2.9282 -3.9505 3 277.0555285 89503 303473315 463214 a-Alanine, conf. II
404137.8978107.4347 -3.0410 3 591.3022531 89503 30388 088 87 087 a-Alanine, conf. II
404137.8978107.4347 -4.1361 3 591.3022531 89503 30388 088 87 187 a-Alanine, conf. II
404137.8978107.4347 -4.1361 3 591.3022531 89503 30388 188 87 087 a-Alanine, conf. II
404137.8978107.4347 -3.0410 3 591.3022531 89503 30388 188 87 187 a-Alanine, conf. II
404139.8223 14.3851 -3.3224 3 594.8977429 89503 303714229 704228 a-Alanine, conf. II
404139.8223 14.3851 -3.3224 3 594.8977429 89503 303714230 704229 a-Alanine, conf. II
404189.9350 16.8540 -4.2534 3 782.7352435 89503 3037265 7 7165 6 a-Alanine, conf. II
404189.9350 16.8540 -4.2534 3 782.7352435 89503 3037265 8 7165 7 a-Alanine, conf. II
404195.0542 2.9054 -4.1707 3 205.9615273 89503 303451729 441530 a-Alanine, conf. II
404205.0449 2.1630 -4.1557 3 299.8610315 89503 303522726 512625 a-Alanine, conf. II
404206.6867 2.1642 -4.1557 3 299.8609315 89503 303522725 512626 a-Alanine, conf. II
404217.2477 34.9998 -3.0715 3 583.6831501 89503 30383 776 82 775 a-Alanine, conf. II
404217.2477 34.9998 -4.2136 3 583.6831501 89503 30383 776 82 875 a-Alanine, conf. II
404217.2477 34.9998 -4.2136 3 583.6831501 89503 30383 876 82 775 a-Alanine, conf. II
404217.2477 34.9998 -3.0715 3 583.6831501 89503 30383 876 82 875 a-Alanine, conf. II
404226.6801 2.8946 -4.2878 3 313.8859327 89503 303542529 532430 a-Alanine, conf. II
404311.1659 16.7037 -4.1791 3 773.4993435 89503 3037264 8 7164 7 a-Alanine, conf. II
404311.1659 16.7037 -4.1791 3 773.4993435 89503 3037264 9 7164 8 a-Alanine, conf. II
404358.2590 6.6153 -3.0197 3 498.6130417 89503 303692544 682543 a-Alanine, conf. II
404358.8950 2.3683 -4.2135 3 306.6157321 89503 303532628 522527 a-Alanine, conf. II
404383.3661 8.5579 -4.4306 3 536.6321441 89503 303732152 722251 a-Alanine, conf. II
404383.3951 8.5579 -3.0690 3 536.6321441 89503 303732252 722251 a-Alanine, conf. II
404383.4361 8.5580 -3.0690 3 536.6321441 89503 303732152 722151 a-Alanine, conf. II
404383.4652 8.5580 -4.4306 3 536.6321441 89503 303732252 722151 a-Alanine, conf. II
404400.7600 2.4021 -4.2134 3 306.6146321 89503 303532627 522528 a-Alanine, conf. II
404438.9801 16.5600 -4.1119 3 764.4107435 89503 3037263 9 7163 8 a-Alanine, conf. II
404438.9801 16.5600 -4.1119 3 764.4107435 89503 303726310 7163 9 a-Alanine, conf. II
404538.8746 19.0663 -3.0629 3 511.4523417 89503 303693039 683038 a-Alanine, conf. II
404573.8160 16.4230 -4.0505 3 755.4696435 89503 303726210 7162 9 a-Alanine, conf. II
404573.8160 16.4230 -4.0505 3 755.4696435 89503 303726211 716210 a-Alanine, conf. II
404583.8358 10.5574 -3.0823 3 556.5422459 89503 303761759 751758 a-Alanine, conf. II
404583.8358 10.5574 -4.3472 3 556.5422459 89503 303761759 751858 a-Alanine, conf. II
404583.8358 10.5574 -4.3472 3 556.5422459 89503 303761859 751758 a-Alanine, conf. II
404583.8358 10.5574 -3.0823 3 556.5422459 89503 303761859 751858 a-Alanine, conf. II
404659.8252 14.4732 -3.2985 3 589.1806429 89503 303714130 704129 a-Alanine, conf. II
404659.8252 14.4732 -3.2985 3 589.1806429 89503 303714131 704130 a-Alanine, conf. II
404691.3296 4.9184 -3.8647 3 270.8977267 89503 3034437 7 4336 8 a-Alanine, conf. II
404691.3296 4.9184 -3.8647 3 270.8977267 89503 3034437 8 4336 7 a-Alanine, conf. II
404699.7599 23.1447 -2.9806 3 476.0454405 89503 303672740 662739 a-Alanine, conf. II
404716.1518 16.2927 -3.9937 3 746.6762435 89503 303726111 716110 a-Alanine, conf. II
404716.1518 16.2927 -3.9937 3 746.6762435 89503 303726112 716111 a-Alanine, conf. II
404775.9237 20.2548 -3.0806 3 579.1544489 89503 303811071 801070 a-Alanine, conf. II
404775.9237 20.2548 -4.2500 3 579.1544489 89503 303811071 801170 a-Alanine, conf. II
404775.9237 20.2548 -4.2500 3 579.1544489 89503 303811171 801070 a-Alanine, conf. II
404775.9237 20.2548 -3.0806 3 579.1544489 89503 303811171 801170 a-Alanine, conf. II
404834.1345 1.0319 -4.3177 3 181.5632261 89503 303431330 421131 a-Alanine, conf. II
404866.5104 16.1694 -3.9409 3 738.0310435 89503 303726012 716011 a-Alanine, conf. II
404866.5104 16.1694 -3.9409 3 738.0310435 89503 303726013 716012 a-Alanine, conf. II
404869.4655 6.0577 -3.9352 3 272.6046309 89503 303512130 501931 a-Alanine, conf. II
404870.7057 1.0276 -4.3176 3 181.5633261 89503 303431430 421231 a-Alanine, conf. II
404873.0714 69.8701 -3.0582 3 591.2250519 89503 30386 383 85 382 a-Alanine, conf. II
404873.0714 69.8701 -4.1711 3 591.2250519 89503 30386 383 85 482 a-Alanine, conf. II
404873.0714 69.8701 -4.1711 3 591.2250519 89503 30386 483 85 382 a-Alanine, conf. II
404873.0714 69.8701 -3.0582 3 591.2250519 89503 30386 483 85 482 a-Alanine, conf. II
404947.4237 9.0232 -4.6143 3 512.1942423 89503 303702545 692644 a-Alanine, conf. II
404984.1221 15.5110 -4.6860 3 283.1016315 89503 303522131 512032 a-Alanine, conf. II
405025.4645 16.0530 -3.8914 3 729.5343435 89503 303725913 715912 a-Alanine, conf. II
405025.4645 16.0530 -3.8914 3 729.5343435 89503 303725914 715913 a-Alanine, conf. II
405117.7244 7.5966 -3.7969 3 269.0057249 89503 3034141 0 4040 1 a-Alanine, conf. II
405117.7244 7.5966 -3.7969 3 269.0057249 89503 3034141 1 4040 0 a-Alanine, conf. II
405125.4034 8.4662 -3.0267 3 501.8836417 89503 303692743 682742 a-Alanine, conf. II
405193.6428 15.9438 -3.8448 3 721.1865435 89503 303725814 715813 a-Alanine, conf. II
405193.6428 15.9438 -3.8448 3 721.1865435 89503 303725815 715814 a-Alanine, conf. II
405229.7865 14.5905 -3.2754 3 583.6316429 89503 303714031 704030 a-Alanine, conf. II
405229.7865 14.5905 -3.2754 3 583.6316429 89503 303714032 704031 a-Alanine, conf. II
405249.0854 2.5558 -3.9784 3 281.5323291 89503 303483216 473117 a-Alanine, conf. II
405249.0854 2.5558 -3.9784 3 281.5323291 89503 303483217 473116 a-Alanine, conf. II
405306.4338 13.2096 -3.0859 3 572.7007477 89503 303791366 781365 a-Alanine, conf. II
405306.4338 13.2096 -4.2892 3 572.7007477 89503 303791366 781465 a-Alanine, conf. II
405306.4338 13.2096 -4.2892 3 572.7007477 89503 303791466 781365 a-Alanine, conf. II
405306.4338 13.2096 -3.0859 3 572.7007477 89503 303791466 781465 a-Alanine, conf. II
405315.8020 15.6384 -3.1257 3 536.3420423 89503 303703338 693337 a-Alanine, conf. II
405320.8974 15.6675 -3.1257 3 536.3421423 89503 303703337 693336 a-Alanine, conf. II
405339.5261 3.3693 -4.6685 3 146.9940207 89503 3033426 8 3324 9 a-Alanine, conf. II
405339.5261 3.3693 -4.6685 3 146.9940207 89503 3033426 9 332410 a-Alanine, conf. II
405371.7375 15.8419 -3.8008 3 712.9880435 89503 303725715 715714 a-Alanine, conf. II
405371.7375 15.8419 -3.8008 3 712.9880435 89503 303725716 715715 a-Alanine, conf. II
405455.4123 9.3280 -4.4073 3 545.3450447 89503 303742054 732153 a-Alanine, conf. II
405455.4133 9.3280 -3.0765 3 545.3450447 89503 303742154 732153 a-Alanine, conf. II
405455.4147 9.3280 -3.0765 3 545.3450447 89503 303742054 732053 a-Alanine, conf. II
405455.4157 9.3280 -4.4073 3 545.3450447 89503 303742154 732053 a-Alanine, conf. II
405522.9527 42.7987 -3.0720 3 589.2440507 89503 30384 678 83 677 a-Alanine, conf. II
405522.9527 42.7987 -4.2059 3 589.2440507 89503 30384 678 83 777 a-Alanine, conf. II
405522.9527 42.7987 -4.2059 3 589.2440507 89503 30384 778 83 677 a-Alanine, conf. II
405522.9527 42.7987 -3.0720 3 589.2440507 89503 30384 778 83 777 a-Alanine, conf. II
405560.5122 15.7476 -3.7589 3 704.9392435 89503 303725616 715615 a-Alanine, conf. II
405560.5122 15.7476 -3.7589 3 704.9392435 89503 303725617 715616 a-Alanine, conf. II
405596.0916 15.5971 -3.0469 3 508.0610417 89503 303692941 682940 a-Alanine, conf. II
405630.9300 9.0179 -2.9691 3 474.0285405 89503 303672641 662640 a-Alanine, conf. II
405760.8118 15.6610 -3.7191 3 697.0407435 89503 303725517 715516 a-Alanine, conf. II
405760.8118 15.6610 -3.7191 3 697.0407435 89503 303725518 715517 a-Alanine, conf. II
405857.5809 14.7432 -3.2530 3 578.2540429 89503 303713932 703931 a-Alanine, conf. II
405857.5809 14.7432 -3.2530 3 578.2540429 89503 303713933 703932 a-Alanine, conf. II
405874.6484 11.1275 -3.0871 3 564.2804465 89503 303771661 761660 a-Alanine, conf. II
405874.6484 11.1275 -4.3335 3 564.2804465 89503 303771661 761760 a-Alanine, conf. II
405874.6484 11.1275 -4.3335 3 564.2804465 89503 303771761 761660 a-Alanine, conf. II
405874.6484 11.1275 -3.0871 3 564.2804465 89503 303771761 761760 a-Alanine, conf. II
405961.9332 4.3256 -3.8861 3 274.1217273 89503 3034536 9 443510 a-Alanine, conf. II
405961.9332 4.3256 -3.8861 3 274.1217273 89503 303453610 4435 9 a-Alanine, conf. II
405973.5743 15.5826 -3.6812 3 689.2930435 89503 303725418 715417 a-Alanine, conf. II
405973.5743 15.5826 -3.6812 3 689.2930435 89503 303725419 715418 a-Alanine, conf. II
406102.4855 24.8919 -3.0822 3 585.3584495 89503 30382 973 81 972 a-Alanine, conf. II
406102.4855 24.8919 -4.2416 3 585.3584495 89503 30382 973 811072 a-Alanine, conf. II
406102.4855 24.8919 -4.2416 3 585.3584495 89503 303821073 81 972 a-Alanine, conf. II
406102.4855 24.8919 -3.0822 3 585.3584495 89503 303821073 811072 a-Alanine, conf. II
406138.3202 82.8345 -3.0573 3 595.9449525 89503 30387 285 86 284 a-Alanine, conf. II
406138.3202 82.8345 -4.1639 3 595.9449525 89503 30387 285 86 384 a-Alanine, conf. II
406138.3202 82.8345 -4.1639 3 595.9449525 89503 30387 385 86 284 a-Alanine, conf. II
406138.3202 82.8345 -3.0573 3 595.9449525 89503 30387 385 86 384 a-Alanine, conf. II
406192.9832 6.2171 -4.3983 3 321.7056333 89503 303552431 542332 a-Alanine, conf. II
406199.8440 15.5127 -3.6448 3 681.6967435 89503 303725319 715318 a-Alanine, conf. II
406199.8440 15.5127 -3.6448 3 681.6967435 89503 303725320 715319 a-Alanine, conf. II
406346.5505 12.5356 -3.0334 3 504.9180417 89503 303692842 682841 a-Alanine, conf. II
406353.8502 2.2762 -4.0090 3 286.3889297 89503 303493118 483019 a-Alanine, conf. II
406353.8502 2.2762 -4.0090 3 286.3889297 89503 303493119 483018 a-Alanine, conf. II
406419.0303 6.8367 -3.8142 3 271.0293255 89503 3034240 2 4139 3 a-Alanine, conf. II
406419.0303 6.8367 -3.8142 3 271.0293255 89503 3034240 3 4139 2 a-Alanine, conf. II
406423.1933 6.5121 -3.0379 3 512.1942423 89503 303702645 692644 a-Alanine, conf. II
406440.7878 15.4516 -3.6100 3 674.2524435 89503 303725220 715219 a-Alanine, conf. II
406440.7878 15.4516 -3.6100 3 674.2524435 89503 303725221 715220 a-Alanine, conf. II
406462.5275 1.5001 -4.2306 3 192.2914255 89503 303422220 412021 a-Alanine, conf. II
406480.8953 18.2519 -4.6316 3 485.2251411 89503 303682643 672542 a-Alanine, conf. II
406483.0124 10.2069 -4.0577 3 248.9926297 89503 303491930 481731 a-Alanine, conf. II
406541.2932 1.4928 -4.2304 3 192.2887255 89503 303422221 412022 a-Alanine, conf. II
406547.1643 6.8981 -4.5411 3 522.1854429 89503 303712447 702546 a-Alanine, conf. II
406553.0919 14.9396 -3.2312 3 573.0514429 89503 303713834 703833 a-Alanine, conf. II
406553.0920 14.9396 -3.2312 3 573.0514429 89503 303713833 703832 a-Alanine, conf. II
406619.1949 10.0413 -4.3876 3 553.8089453 89503 303751956 742055 a-Alanine, conf. II
406619.1950 10.0413 -3.0832 3 553.8089453 89503 303751956 741955 a-Alanine, conf. II
406619.1950 10.0413 -4.3876 3 553.8089453 89503 303752056 741955 a-Alanine, conf. II
406619.1950 10.0413 -3.0832 3 553.8089453 89503 303752056 742055 a-Alanine, conf. II
406639.2711 15.1930 -3.0888 3 579.5555483 89503 303801268 791267 a-Alanine, conf. II
406639.2711 15.1930 -4.2793 3 579.5555483 89503 303801268 791367 a-Alanine, conf. II
406639.2711 15.1930 -4.2793 3 579.5555483 89503 303801368 791267 a-Alanine, conf. II
406639.2711 15.1930 -3.0888 3 579.5555483 89503 303801368 791367 a-Alanine, conf. II
406661.1615 6.9204 -3.0512 3 522.1854429 89503 303712547 702546 a-Alanine, conf. II
406697.7147 15.4000 -3.5766 3 666.9608435 89503 303725121 715120 a-Alanine, conf. II
406697.7147 15.4000 -3.5766 3 666.9608435 89503 303725122 715121 a-Alanine, conf. II
406727.8337 0.4799 -4.4422 3 167.9963255 89503 303421131 41 932 a-Alanine, conf. II
406728.5467 0.4800 -4.4422 3 167.9963255 89503 303421231 411032 a-Alanine, conf. II
406783.7106 6.9644 -3.0509 3 522.1775429 89503 303712447 702446 a-Alanine, conf. II
406787.5508 16.4335 -3.1066 3 532.2851423 89503 303703239 693238 a-Alanine, conf. II
406800.3762 27.3131 -3.0104 3 491.8727411 89503 303682840 672839 a-Alanine, conf. II
406811.8007 1.4551 -4.1285 3 215.0384273 89503 303452125 441926 a-Alanine, conf. II
406818.4533 51.9102 -3.0722 3 594.6057513 89503 30385 580 84 579 a-Alanine, conf. II
406818.4533 51.9102 -4.1986 3 594.6057513 89503 30385 580 84 679 a-Alanine, conf. II
406818.4533 51.9102 -4.1986 3 594.6057513 89503 30385 680 84 579 a-Alanine, conf. II
406818.4533 51.9102 -3.0722 3 594.6057513 89503 30385 680 84 679 a-Alanine, conf. II
406826.1343 16.6333 -3.1065 3 532.2861423 89503 303703238 693237 a-Alanine, conf. II
406880.8879 2.7559 -4.5272 3 156.7659219 89503 303362511 352312 a-Alanine, conf. II
406880.8879 2.7559 -4.5272 3 156.7659219 89503 303362512 352313 a-Alanine, conf. II
406897.7077 7.0404 -4.5402 3 522.1775429 89503 303712547 702446 a-Alanine, conf. II
406938.7899 20.9630 -4.6030 3 393.2087369 89503 303612537 602436 a-Alanine, conf. II
406972.0992 15.3583 -3.5445 3 659.8228435 89503 303725022 715021 a-Alanine, conf. II
406972.0992 15.3583 -3.5445 3 659.8228435 89503 303725023 715022 a-Alanine, conf. II
407112.7507 0.8422 -4.5978 3 154.4164249 89503 30341 932 40 733 a-Alanine, conf. II
407112.7588 0.8422 -4.5978 3 154.4164249 89503 303411032 40 833 a-Alanine, conf. II
407116.5690 7.6173 -4.4957 3 531.8099435 89503 303722349 712448 a-Alanine, conf. II
407123.2376 7.6232 -3.0628 3 531.8099435 89503 303722449 712448 a-Alanine, conf. II
407131.3181 7.6295 -3.0628 3 531.8094435 89503 303722349 712348 a-Alanine, conf. II
407137.9866 7.6356 -4.4956 3 531.8094435 89503 303722449 712348 a-Alanine, conf. II
407155.9158 12.9912 -4.6162 3 498.6130417 89503 303692644 682543 a-Alanine, conf. II
407185.0430 11.8051 -3.0913 3 571.8036471 89503 303781563 771562 a-Alanine, conf. II
407185.0430 11.8051 -4.3212 3 571.8036471 89503 303781563 771662 a-Alanine, conf. II
407185.0430 11.8051 -4.3212 3 571.8036471 89503 303781663 771562 a-Alanine, conf. II
407185.0430 11.8051 -3.0913 3 571.8036471 89503 303781663 771662 a-Alanine, conf. II
407214.0326 3.7805 -3.9091 3 277.7025279 89503 303463511 453412 a-Alanine, conf. II
407214.0326 3.7805 -3.9091 3 277.7025279 89503 303463512 453411 a-Alanine, conf. II
407265.6098 15.3275 -3.5136 3 652.8393435 89503 303724923 714922 a-Alanine, conf. II
407265.6098 15.3275 -3.5136 3 652.8393435 89503 303724924 714923 a-Alanine, conf. II
407328.9959 15.1914 -3.2101 3 568.0282429 89503 303713735 703734 a-Alanine, conf. II
407328.9973 15.1914 -3.2101 3 568.0282429 89503 303713734 703733 a-Alanine, conf. II
407374.2141 2.1132 -4.0427 3 291.6356303 89503 303503020 492921 a-Alanine, conf. II
407374.2141 2.1132 -4.0427 3 291.6356303 89503 303503021 492920 a-Alanine, conf. II
407391.4103 97.4577 -3.0562 3 600.4644531 89503 30388 187 87 186 a-Alanine, conf. II
407391.4103 97.4577 -4.1568 3 600.4644531 89503 30388 187 87 286 a-Alanine, conf. II
407391.4103 97.4577 -4.1568 3 600.4644531 89503 30388 287 87 186 a-Alanine, conf. II
407391.4103 97.4577 -3.0562 3 600.4644531 89503 30388 287 87 286 a-Alanine, conf. II
407422.0877 30.6647 -3.0835 3 591.3622501 89503 30383 875 82 874 a-Alanine, conf. II
407422.0877 30.6647 -4.2336 3 591.3622501 89503 30383 875 82 974 a-Alanine, conf. II
407422.0877 30.6647 -4.2336 3 591.3622501 89503 30383 975 82 874 a-Alanine, conf. II
407422.0877 30.6647 -3.0835 3 591.3622501 89503 30383 975 82 974 a-Alanine, conf. II
407580.1440 15.3083 -3.4839 3 646.0111435 89503 303724824 714823 a-Alanine, conf. II
407580.1440 15.3083 -3.4839 3 646.0111435 89503 303724825 714824 a-Alanine, conf. II
407642.0644 24.3264 -4.6480 3 471.9269405 89503 303672642 662541 a-Alanine, conf. II
407706.5232 3.5804 -4.1322 3 217.0467279 89503 303461829 451630 a-Alanine, conf. II
407715.2122 6.1181 -3.8325 3 273.3986261 89503 3034339 4 4238 5 a-Alanine, conf. II
407715.2122 6.1181 -3.8325 3 273.3986261 89503 3034339 5 4238 4 a-Alanine, conf. II
407730.5232 2.2742 -4.3197 3 324.4608333 89503 303552531 542430 a-Alanine, conf. II
407745.0805 6.7264 -3.0346 3 512.1009423 89503 303702545 692544 a-Alanine, conf. II
407844.0725 10.6834 -3.0892 3 562.0366459 89503 303761858 751857 a-Alanine, conf. II
407844.0725 10.6834 -4.3708 3 562.0366459 89503 303761858 751957 a-Alanine, conf. II
407844.0725 10.6834 -4.3708 3 562.0366459 89503 303761958 751857 a-Alanine, conf. II
407844.0725 10.6834 -3.0892 3 562.0366459 89503 303761958 751957 a-Alanine, conf. II
407874.1376 2.2179 -4.4133 3 167.5391231 89503 303382414 372215 a-Alanine, conf. II
407874.1440 2.2179 -4.4133 3 167.5391231 89503 303382415 372216 a-Alanine, conf. II
407890.9750 8.4141 -4.4621 3 541.1093441 89503 303732251 722350 a-Alanine, conf. II
407891.2864 8.4145 -3.0727 3 541.1093441 89503 303732351 722350 a-Alanine, conf. II
407891.7002 8.4150 -3.0727 3 541.1092441 89503 303732251 722250 a-Alanine, conf. II
407892.0117 8.4154 -4.4621 3 541.1092441 89503 303732351 722250 a-Alanine, conf. II
407917.8721 15.3020 -3.4552 3 639.3394435 89503 303724725 714724 a-Alanine, conf. II
407917.8721 15.3020 -3.4552 3 639.3394435 89503 303724726 714725 a-Alanine, conf. II
407971.3893 18.0462 -3.0913 3 586.2069489 89503 303811170 801169 a-Alanine, conf. II
407971.3893 18.0462 -4.2703 3 586.2069489 89503 303811170 801269 a-Alanine, conf. II
407971.3893 18.0462 -4.2703 3 586.2069489 89503 303811270 801169 a-Alanine, conf. II
407971.3893 18.0462 -3.0913 3 586.2069489 89503 303811270 801269 a-Alanine, conf. II
407977.2224 1.7815 -4.3164 3 179.3570243 89503 303402317 392118 a-Alanine, conf. II
407978.2408 1.7813 -4.3164 3 179.3569243 89503 303402318 392119 a-Alanine, conf. II
408103.0545 62.4243 -3.0721 3 599.7678519 89503 30386 482 85 481 a-Alanine, conf. II
408103.0545 62.4243 -4.1914 3 599.7678519 89503 30386 482 85 581 a-Alanine, conf. II
408103.0545 62.4243 -4.1914 3 599.7678519 89503 30386 582 85 481 a-Alanine, conf. II
408103.0545 62.4243 -3.0721 3 599.7678519 89503 30386 582 85 581 a-Alanine, conf. II
408201.9873 15.5156 -3.1896 3 563.1898429 89503 303713636 703635 a-Alanine, conf. II
408202.0025 15.5157 -3.1896 3 563.1898429 89503 303713635 703634 a-Alanine, conf. II
408273.9235 2.0838 -4.0803 3 297.2860309 89503 303512923 502822 a-Alanine, conf. II
408273.9268 2.0838 -4.0803 3 297.2860309 89503 303512922 502823 a-Alanine, conf. II
408281.2916 15.3097 -3.4274 3 632.8255435 89503 303724626 714625 a-Alanine, conf. II
408281.2916 15.3097 -3.4274 3 632.8255435 89503 303724627 714626 a-Alanine, conf. II
408440.5018 3.2903 -3.9337 3 281.6450285 89503 303473413 463314 a-Alanine, conf. II
408440.5018 3.2903 -3.9337 3 281.6450285 89503 303473414 463313 a-Alanine, conf. II
408507.3898 12.7616 -3.0952 3 579.1158477 89503 303791465 781464 a-Alanine, conf. II
408507.3898 12.7616 -4.3101 3 579.1158477 89503 303791465 781564 a-Alanine, conf. II
408507.3898 12.7616 -4.3101 3 579.1158477 89503 303791565 781464 a-Alanine, conf. II
408507.3898 12.7616 -3.0952 3 579.1158477 89503 303791565 781564 a-Alanine, conf. II
408530.1990 17.3134 -3.0877 3 528.4650423 89503 303703140 693139 a-Alanine, conf. II
408632.1467113.8562 -3.0547 3 604.7828537 89503 30389 089 88 088 a-Alanine, conf. II
408632.1467113.8562 -4.1498 3 604.7828537 89503 30389 089 88 188 a-Alanine, conf. II
408632.1467113.8562 -4.1498 3 604.7828537 89503 30389 189 88 088 a-Alanine, conf. II
408632.1467113.8562 -3.0547 3 604.7828537 89503 30389 189 88 188 a-Alanine, conf. II
408673.2967 15.3333 -3.4007 3 626.4708435 89503 303724527 714526 a-Alanine, conf. II
408673.2967 15.3333 -3.4007 3 626.4708435 89503 303724528 714527 a-Alanine, conf. II
408733.3543 37.6432 -3.0846 3 597.1663507 89503 30384 777 83 776 a-Alanine, conf. II
408733.3543 37.6432 -4.2260 3 597.1663507 89503 30384 777 83 876 a-Alanine, conf. II
408733.3543 37.6432 -4.2260 3 597.1663507 89503 30384 877 83 776 a-Alanine, conf. II
408733.3543 37.6432 -3.0846 3 597.1663507 89503 30384 877 83 876 a-Alanine, conf. II
408781.1932 18.4730 -3.0872 3 528.4724423 89503 303703139 693138 a-Alanine, conf. II
408796.4310 25.7044 -3.0396 3 508.1865417 89503 303692940 682939 a-Alanine, conf. II
408829.8461 1.6252 -4.2668 3 192.3195267 89503 303441430 431231 a-Alanine, conf. II
408859.3237 9.2360 -4.4355 3 550.1209447 89503 303742153 732252 a-Alanine, conf. II
408859.3356 9.2360 -3.0812 3 550.1209447 89503 303742253 732252 a-Alanine, conf. II
408859.3527 9.2360 -3.0812 3 550.1209447 89503 303742153 732152 a-Alanine, conf. II
408859.3647 9.2360 -4.4355 3 550.1209447 89503 303742253 732152 a-Alanine, conf. II
408973.1512 1.5991 -4.2665 3 192.3196267 89503 303441530 431331 a-Alanine, conf. II
408996.1071 2.1840 -4.1233 3 303.3583315 89503 303522825 512724 a-Alanine, conf. II
408996.2476 2.1841 -4.1233 3 303.3583315 89503 303522824 512725 a-Alanine, conf. II
409003.7973 5.4416 -3.8519 3 276.1159267 89503 3034438 6 4337 7 a-Alanine, conf. II
409003.7973 5.4416 -3.8519 3 276.1159267 89503 3034438 7 4337 6 a-Alanine, conf. II
409097.2680 15.3748 -3.3748 3 620.2767435 89503 303724428 714427 a-Alanine, conf. II
409097.2680 15.3748 -3.3748 3 620.2767435 89503 303724429 714428 a-Alanine, conf. II
409110.0435 11.2738 -3.0947 3 570.0376465 89503 303771760 761759 a-Alanine, conf. II
409110.0435 11.2738 -4.3561 3 570.0376465 89503 303771760 761859 a-Alanine, conf. II
409110.0435 11.2738 -4.3561 3 570.0376465 89503 303771860 761759 a-Alanine, conf. II
409110.0435 11.2738 -3.0947 3 570.0376465 89503 303771860 761859 a-Alanine, conf. II
409194.7642 15.9372 -3.1696 3 558.5431429 89503 303713537 703536 a-Alanine, conf. II
409194.9206 15.9383 -3.1696 3 558.5431429 89503 303713536 703535 a-Alanine, conf. II
409220.8501 9.6266 -4.6037 3 512.1009423 89503 303702645 692544 a-Alanine, conf. II
409300.0882 21.9103 -3.0935 3 592.6562495 89503 303821072 811071 a-Alanine, conf. II
409300.0882 21.9103 -4.2618 3 592.6562495 89503 303821072 811171 a-Alanine, conf. II
409300.0882 21.9103 -4.2618 3 592.6562495 89503 303821172 811071 a-Alanine, conf. II
409300.0882 21.9103 -3.0935 3 592.6562495 89503 303821172 811171 a-Alanine, conf. II
409302.5827 18.6655 -4.7268 3 844.5785441 89503 3037370 3 7270 2 a-Alanine, conf. II
409302.5827 18.6655 -4.7268 3 844.5785441 89503 3037370 4 7270 3 a-Alanine, conf. II
409368.1862 3.5165 -4.3169 3 324.4197333 89503 303552530 542431 a-Alanine, conf. II
409376.2269 74.4391 -3.0717 3 604.7302525 89503 30387 384 86 383 a-Alanine, conf. II
409376.2269 74.4391 -4.1844 3 604.7302525 89503 30387 384 86 483 a-Alanine, conf. II
409376.2269 74.4391 -4.1844 3 604.7302525 89503 30387 484 86 383 a-Alanine, conf. II
409376.2269 74.4391 -3.0717 3 604.7302525 89503 30387 484 86 483 a-Alanine, conf. II
409388.6681 2.5880 -4.2354 3 316.8844327 89503 303542629 532528 a-Alanine, conf. II
409400.5657 18.4872 -4.5839 3 834.6135441 89503 3037369 4 7269 3 a-Alanine, conf. II
409400.5657 18.4872 -4.5839 3 834.6135441 89503 3037369 5 7269 4 a-Alanine, conf. II
409442.9992 2.3832 -4.1736 3 309.8779321 89503 303532727 522626 a-Alanine, conf. II
409447.4093 2.3870 -4.1736 3 309.8778321 89503 303532726 522627 a-Alanine, conf. II
409490.0295 2.6773 -4.2352 3 316.8817327 89503 303542628 532529 a-Alanine, conf. II
409503.6146 18.3153 -4.4694 3 824.7947441 89503 3037368 5 7268 4 a-Alanine, conf. II
409503.6146 18.3153 -4.4694 3 824.7947441 89503 3037368 6 7268 5 a-Alanine, conf. II
409556.8555 5.6600 -2.9851 3 487.5589411 89503 303682642 672641 a-Alanine, conf. II
409557.1887 15.4367 -3.3498 3 614.2452435 89503 303724329 714328 a-Alanine, conf. II
409557.1887 15.4367 -3.3498 3 614.2452435 89503 303724330 714329 a-Alanine, conf. II
409612.0342 18.1500 -4.3730 3 815.1223441 89503 3037367 6 7267 5 a-Alanine, conf. II
409612.0342 18.1500 -4.3730 3 815.1223441 89503 3037367 7 7267 6 a-Alanine, conf. II
409631.6310 2.8666 -3.9603 3 285.9549291 89503 303483315 473216 a-Alanine, conf. II
409631.6310 2.8666 -3.9603 3 285.9549291 89503 303483316 473215 a-Alanine, conf. II
409726.1541 17.9912 -4.2891 3 805.5965441 89503 3037366 7 7266 6 a-Alanine, conf. II
409726.1541 17.9912 -4.2891 3 805.5965441 89503 3037366 8 7266 7 a-Alanine, conf. II
409836.0283 14.2174 -3.0986 3 586.2203483 89503 303801367 791366 a-Alanine, conf. II
409836.0283 14.2174 -4.3000 3 586.2203483 89503 303801367 791466 a-Alanine, conf. II
409836.0283 14.2174 -4.3000 3 586.2203483 89503 303801467 791366 a-Alanine, conf. II
409836.0283 14.2174 -3.0986 3 586.2203483 89503 303801467 791466 a-Alanine, conf. II
409846.3317 17.8391 -4.2144 3 796.2175441 89503 3037365 8 7265 7 a-Alanine, conf. II
409846.3317 17.8391 -4.2144 3 796.2175441 89503 3037365 9 7265 8 a-Alanine, conf. II
409953.9495 10.0300 -4.4137 3 558.8695453 89503 303752055 742154 a-Alanine, conf. II
409953.9498 10.0300 -3.0889 3 558.8695453 89503 303752155 742154 a-Alanine, conf. II
409953.9504 10.0300 -3.0889 3 558.8695453 89503 303752055 742054 a-Alanine, conf. II
409953.9508 10.0300 -4.4137 3 558.8695453 89503 303752155 742054 a-Alanine, conf. II
409972.9548 17.6937 -4.1469 3 786.9857441 89503 3037364 9 7264 8 a-Alanine, conf. II
409972.9548 17.6937 -4.1469 3 786.9857441 89503 303736410 7264 9 a-Alanine, conf. II
409977.7255 7.7327 -4.5994 3 525.7511429 89503 303712546 702645 a-Alanine, conf. II
409990.3020 7.9116 -3.0378 3 515.3971423 89503 303702744 692743 a-Alanine, conf. II
410035.2029 45.9024 -3.0853 3 602.7708513 89503 30385 679 84 678 a-Alanine, conf. II
410035.2029 45.9024 -4.2187 3 602.7708513 89503 30385 679 84 778 a-Alanine, conf. II
410035.2029 45.9024 -4.2187 3 602.7708513 89503 30385 779 84 678 a-Alanine, conf. II
410035.2029 45.9024 -3.0853 3 602.7708513 89503 30385 779 84 778 a-Alanine, conf. II
410057.8009 15.5226 -3.3256 3 608.3784435 89503 303724230 714229 a-Alanine, conf. II
410057.8009 15.5226 -3.3256 3 608.3784435 89503 303724231 714230 a-Alanine, conf. II
410106.4449 17.5550 -4.0852 3 777.9013441 89503 303736310 7263 9 a-Alanine, conf. II
410106.4449 17.5550 -4.0852 3 777.9013441 89503 303736311 726310 a-Alanine, conf. II
410247.2616 17.4232 -4.0281 3 768.9647441 89503 303736211 726210 a-Alanine, conf. II
410247.2616 17.4232 -4.0281 3 768.9647441 89503 303736212 726211 a-Alanine, conf. II
410281.4936 4.8085 -3.8726 3 279.1842273 89503 3034537 8 4436 9 a-Alanine, conf. II
410281.4936 4.8085 -3.8726 3 279.1842273 89503 3034537 9 4436 8 a-Alanine, conf. II
410333.0673 3.0327 -4.0798 3 230.6463285 89503 303472028 461829 a-Alanine, conf. II
410339.2276 16.4940 -3.1500 3 554.0966429 89503 303713438 703437 a-Alanine, conf. II
410340.6665 16.5033 -3.1500 3 554.0966429 89503 303713437 703436 a-Alanine, conf. II
410395.9061 17.2983 -3.9749 3 760.1761441 89503 303736112 726111 a-Alanine, conf. II
410395.9061 17.2983 -3.9749 3 760.1761441 89503 303736113 726112 a-Alanine, conf. II
410403.4243 11.8777 -3.0996 3 577.8190471 89503 303781662 771661 a-Alanine, conf. II
410403.4243 11.8777 -4.3431 3 577.8190471 89503 303781662 771761 a-Alanine, conf. II
410403.4243 11.8777 -4.3431 3 577.8190471 89503 303781762 771661 a-Alanine, conf. II
410403.4243 11.8777 -3.0996 3 577.8190471 89503 303781762 771761 a-Alanine, conf. II
410441.6726 17.6192 -3.0693 3 524.9001423 89503 303703041 693040 a-Alanine, conf. II
410462.7993 19.0450 -4.6914 3 529.0729429 89503 303712645 702744 a-Alanine, conf. II
410468.5327 1.5177 -4.2055 3 200.4346261 89503 303432221 422022 a-Alanine, conf. II
410552.9268 17.1805 -3.9251 3 751.5359441 89503 303736013 726012 a-Alanine, conf. II
410552.9268 17.1805 -3.9251 3 751.5359441 89503 303736014 726013 a-Alanine, conf. II
410604.8161 15.6365 -3.3021 3 602.6786435 89503 303724131 714130 a-Alanine, conf. II
410604.8161 15.6365 -3.3021 3 602.6786435 89503 303724132 714131 a-Alanine, conf. II
410623.2589 26.8820 -3.0954 3 598.9045501 89503 30383 974 82 973 a-Alanine, conf. II
410623.2589 26.8820 -4.2538 3 598.9045501 89503 30383 974 821073 a-Alanine, conf. II
410623.2589 26.8820 -4.2538 3 598.9045501 89503 303831074 82 973 a-Alanine, conf. II
410623.2589 26.8820 -3.0954 3 598.9045501 89503 303831074 821073 a-Alanine, conf. II
410637.5804 88.0605 -3.0711 3 609.4922531 89503 30388 286 87 285 a-Alanine, conf. II
410637.5804 88.0605 -4.1775 3 609.4922531 89503 30388 286 87 385 a-Alanine, conf. II
410637.5804 88.0605 -4.1775 3 609.4922531 89503 30388 386 87 285 a-Alanine, conf. II
410637.5804 88.0605 -3.0711 3 609.4922531 89503 30388 386 87 385 a-Alanine, conf. II
410659.4643 1.5016 -4.2052 3 200.4280261 89503 303432222 422023 a-Alanine, conf. II
410661.5813 3.2924 -4.6156 3 153.4312213 89503 3033526 9 342410 a-Alanine, conf. II
410661.5813 3.2924 -4.6156 3 153.4312213 89503 303352610 342411 a-Alanine, conf. II
410718.9246 17.0700 -3.8781 3 743.0445441 89503 303735914 725913 a-Alanine, conf. II
410718.9246 17.0700 -3.8781 3 743.0445441 89503 303735915 725914 a-Alanine, conf. II
410722.3379 7.4755 -3.8036 3 276.7006255 89503 3034241 1 4140 2 a-Alanine, conf. II
410722.3379 7.4755 -3.8036 3 276.7006255 89503 3034241 2 4140 1 a-Alanine, conf. II
410734.4549 6.9152 -3.0508 3 525.7511429 89503 303712646 702645 a-Alanine, conf. II
410773.9958 2.5270 -3.9891 3 290.6393297 89503 303493217 483118 a-Alanine, conf. II
410773.9958 2.5270 -3.9891 3 290.6393297 89503 303493218 483117 a-Alanine, conf. II
410800.3675 29.2217 -4.6601 3 458.7199399 89503 303662641 652540 a-Alanine, conf. II
410894.5598 16.9669 -3.8337 3 734.7023441 89503 303735815 725814 a-Alanine, conf. II
410894.5598 16.9669 -3.8337 3 734.7023441 89503 303735816 725815 a-Alanine, conf. II
410916.3741 7.4704 -4.5378 3 535.7501435 89503 303722448 712547 a-Alanine, conf. II
410939.0307 1.6232 -4.1080 3 223.8526279 89503 303462126 451927 a-Alanine, conf. II
410970.3488 7.4948 -3.0641 3 535.7501435 89503 303722548 712547 a-Alanine, conf. II
411030.3713 7.5238 -3.0639 3 535.7463435 89503 303722448 712447 a-Alanine, conf. II
411080.5598 16.8714 -3.7916 3 726.5097441 89503 303735716 725715 a-Alanine, conf. II
411080.5598 16.8714 -3.7916 3 726.5097441 89503 303735717 725716 a-Alanine, conf. II
411084.3459 7.5615 -4.5375 3 535.7463435 89503 303722548 712447 a-Alanine, conf. II
411131.4489 10.7594 -3.0957 3 567.3722459 89503 303761957 751956 a-Alanine, conf. II
411131.4489 10.7594 -4.3953 3 567.3722459 89503 303761957 752056 a-Alanine, conf. II
411131.4489 10.7594 -3.0957 3 567.3722459 89503 303762057 752056 a-Alanine, conf. II
411131.4490 10.7594 -4.3953 3 567.3722459 89503 303762057 751956 a-Alanine, conf. II
411166.6781 16.4023 -3.1018 3 593.1196489 89503 303811269 801268 a-Alanine, conf. II
411166.6781 16.4023 -4.2907 3 593.1196489 89503 303811269 801368 a-Alanine, conf. II
411166.6781 16.4023 -4.2907 3 593.1196489 89503 303811369 801268 a-Alanine, conf. II
411166.6781 16.4023 -3.1018 3 593.1196489 89503 303811369 801368 a-Alanine, conf. II
411205.2085 15.7842 -3.2794 3 597.1486435 89503 303724032 714031 a-Alanine, conf. II
411205.2085 15.7842 -3.2794 3 597.1486435 89503 303724033 714032 a-Alanine, conf. II
411277.7276 16.7839 -3.7514 3 718.4672441 89503 303735617 725616 a-Alanine, conf. II
411277.7276 16.7839 -3.7514 3 718.4672441 89503 303735618 725617 a-Alanine, conf. II
411326.7874 55.5259 -3.0858 3 608.1757519 89503 30386 581 85 580 a-Alanine, conf. II
411326.7874 55.5259 -4.2117 3 608.1757519 89503 30386 581 85 680 a-Alanine, conf. II
411326.7874 55.5259 -4.2117 3 608.1757519 89503 30386 681 85 580 a-Alanine, conf. II
411326.7874 55.5259 -3.0858 3 608.1757519 89503 30386 681 85 680 a-Alanine, conf. II
411373.2516 2.2962 -4.3551 3 335.2547339 89503 303562532 552431 a-Alanine, conf. II
411410.3220 14.3954 -4.5354 3 319.1547333 89503 303552332 542233 a-Alanine, conf. II
411452.1143 16.3168 -4.5578 3 381.0795363 89503 303602536 592435 a-Alanine, conf. II
411453.4951 7.0473 -3.0490 3 525.7018429 89503 303712546 702545 a-Alanine, conf. II
411486.9526 16.7045 -3.7131 3 710.5754441 89503 303735518 725517 a-Alanine, conf. II
411486.9526 16.7045 -3.7131 3 710.5754441 89503 303735519 725518 a-Alanine, conf. II
411512.0220 8.2526 -4.4970 3 545.3900441 89503 303732350 722449 a-Alanine, conf. II
411514.9974 8.2558 -3.0755 3 545.3900441 89503 303732450 722449 a-Alanine, conf. II
411518.6905 8.2592 -3.0755 3 545.3898441 89503 303732350 722349 a-Alanine, conf. II
411521.6659 8.2624 -4.4970 3 545.3898441 89503 303732450 722349 a-Alanine, conf. II
411543.9131 4.2219 -3.8946 3 282.6071279 89503 303463610 453511 a-Alanine, conf. II
411543.9131 4.2219 -3.8946 3 282.6071279 89503 303463611 453510 a-Alanine, conf. II
411661.9690 0.6393 -4.3791 3 178.5879261 89503 303431231 421032 a-Alanine, conf. II
411665.4750 0.6392 -4.3791 3 178.5879261 89503 303431331 421132 a-Alanine, conf. II
411680.4881 17.2351 -3.1308 3 549.8619429 89503 303713339 703338 a-Alanine, conf. II
411692.2216 17.3044 -3.1308 3 549.8622429 89503 303713338 703337 a-Alanine, conf. II
411709.2232 16.6336 -3.6765 3 702.8348441 89503 303735419 725418 a-Alanine, conf. II
411709.2232 16.6336 -3.6765 3 702.8348441 89503 303735420 725419 a-Alanine, conf. II
411714.5067 12.6183 -3.1041 3 585.3858477 89503 303791564 781563 a-Alanine, conf. II
411714.5067 12.6183 -4.3315 3 585.3858477 89503 303791564 781663 a-Alanine, conf. II
411714.5067 12.6183 -4.3315 3 585.3858477 89503 303791664 781563 a-Alanine, conf. II
411714.5067 12.6183 -3.1041 3 585.3858477 89503 303791664 781663 a-Alanine, conf. II
411783.7390 22.9379 -3.0664 3 524.9462423 89503 303703040 693039 a-Alanine, conf. II
411815.7283 8.0032 -4.1105 3 237.3191291 89503 303481830 471631 a-Alanine, conf. II
411848.6558 2.2949 -4.0206 3 295.7072303 89503 303503119 493020 a-Alanine, conf. II
411848.6558 2.2949 -4.0206 3 295.7072303 89503 303503120 493019 a-Alanine, conf. II
411867.6319 15.9732 -3.2574 3 591.7920435 89503 303723933 713932 a-Alanine, conf. II
411867.6319 15.9732 -3.2574 3 591.7920435 89503 303723934 713933 a-Alanine, conf. II
411886.8433103.4010 -3.0701 3 614.0535537 89503 30389 188 88 187 a-Alanine, conf. II
411886.8433103.4010 -4.1707 3 614.0535537 89503 30389 188 88 287 a-Alanine, conf. II
411886.8433103.4010 -4.1707 3 614.0535537 89503 30389 288 88 187 a-Alanine, conf. II
411886.8433103.4010 -3.0701 3 614.0535537 89503 30389 288 88 287 a-Alanine, conf. II
411939.2443 33.0360 -3.0969 3 604.9524507 89503 30384 876 83 875 a-Alanine, conf. II
411939.2443 33.0360 -4.2462 3 604.9524507 89503 30384 876 83 975 a-Alanine, conf. II
411939.2443 33.0360 -4.2462 3 604.9524507 89503 30384 976 83 875 a-Alanine, conf. II
411939.2443 33.0360 -3.0969 3 604.9524507 89503 30384 976 83 975 a-Alanine, conf. II
411945.6408 16.5718 -3.6413 3 695.2460441 89503 303735320 725319 a-Alanine, conf. II
411945.6408 16.5718 -3.6413 3 695.2460441 89503 303735321 725320 a-Alanine, conf. II
411962.1738 15.9207 -3.0530 3 521.5902423 89503 303702942 692941 a-Alanine, conf. II
412020.9109 6.7163 -3.8213 3 278.9185261 89503 3034340 3 4239 4 a-Alanine, conf. II
412020.9109 6.7163 -3.8213 3 278.9185261 89503 3034340 4 4239 3 a-Alanine, conf. II
412026.6032 11.8075 -3.0419 3 518.4722423 89503 303702843 692842 a-Alanine, conf. II
412069.3657 2.6839 -4.4858 3 163.6077225 89503 303372512 362313 a-Alanine, conf. II
412069.3657 2.6839 -4.4858 3 163.6077225 89503 303372513 362314 a-Alanine, conf. II
412144.8941 2.4449 -4.2212 3 203.2815273 89503 303451530 441331 a-Alanine, conf. II
412149.8702 20.0090 -2.9824 3 489.5448411 89503 303682741 672740 a-Alanine, conf. II
412168.0453 3.9975 -4.0998 3 228.3201285 89503 303471929 461730 a-Alanine, conf. II
412197.4379 16.5194 -3.6076 3 687.8098441 89503 303735221 725220 a-Alanine, conf. II
412197.4379 16.5194 -3.6076 3 687.8098441 89503 303735222 725221 a-Alanine, conf. II
412210.2245 8.1612 -4.5941 3 525.7018429 89503 303712646 702545 a-Alanine, conf. II
412338.5246 9.0949 -4.4661 3 554.7151447 89503 303742252 732351 a-Alanine, conf. II
412338.6569 9.0951 -3.0853 3 554.7151447 89503 303742352 732351 a-Alanine, conf. II
412338.8360 9.0954 -3.0853 3 554.7150447 89503 303742252 732251 a-Alanine, conf. II
412338.9684 9.0956 -4.4661 3 554.7150447 89503 303742352 732251 a-Alanine, conf. II
412364.5076 11.4157 -3.1019 3 575.6408465 89503 303771859 761858 a-Alanine, conf. II
412364.5076 11.4157 -4.3794 3 575.6408465 89503 303771859 761958 a-Alanine, conf. II
412364.5076 11.4157 -4.3794 3 575.6408465 89503 303771959 761858 a-Alanine, conf. II
412364.5076 11.4157 -3.1019 3 575.6408465 89503 303771959 761958 a-Alanine, conf. II
412407.0180 1.1664 -4.6937 3 151.0683249 89503 30341 833 40 634 a-Alanine, conf. II
412407.0184 1.1664 -4.6937 3 151.0683249 89503 30341 933 40 734 a-Alanine, conf. II
412465.9985 16.4771 -3.5751 3 680.5268441 89503 303735122 725121 a-Alanine, conf. II
412465.9985 16.4771 -3.5751 3 680.5268441 89503 303735123 725122 a-Alanine, conf. II
412496.0533 19.5097 -3.1045 3 599.8154495 89503 303821171 811170 a-Alanine, conf. II
412496.0533 19.5097 -4.2821 3 599.8154495 89503 303821171 811270 a-Alanine, conf. II
412496.0533 19.5097 -4.2821 3 599.8154495 89503 303821271 811170 a-Alanine, conf. II
412496.0533 19.5097 -3.1045 3 599.8154495 89503 303821271 811270 a-Alanine, conf. II
412513.5658 6.5188 -3.0042 3 501.2203417 89503 303692643 682642 a-Alanine, conf. II
412603.0339 16.2138 -3.2360 3 586.6125435 89503 303723835 713834 a-Alanine, conf. II
412603.0342 16.2138 -3.2360 3 586.6125435 89503 303723834 713833 a-Alanine, conf. II
412607.4541 66.6059 -3.0859 3 613.3807525 89503 30387 483 86 482 a-Alanine, conf. II
412607.4541 66.6059 -4.2048 3 613.3807525 89503 30387 483 86 582 a-Alanine, conf. II
412607.4541 66.6059 -4.2048 3 613.3807525 89503 30387 583 86 482 a-Alanine, conf. II
412607.4541 66.6059 -3.0859 3 613.3807525 89503 30387 583 86 582 a-Alanine, conf. II
412611.9081 0.6671 -4.5171 3 164.8247255 89503 303421032 41 833 a-Alanine, conf. II
412611.9579 0.6671 -4.5171 3 164.8247255 89503 303421132 41 933 a-Alanine, conf. II
412636.6982 1.7477 -4.2874 3 187.0432249 89503 303412318 402119 a-Alanine, conf. II
412639.6522 1.7473 -4.2874 3 187.0431249 89503 303412319 402120 a-Alanine, conf. II
412654.6060 2.3242 -4.2203 3 203.2820273 89503 303451630 441431 a-Alanine, conf. II
412752.8843 16.4456 -3.5439 3 673.3979441 89503 303735023 725022 a-Alanine, conf. II
412752.8843 16.4456 -3.5439 3 673.3979441 89503 303735024 725023 a-Alanine, conf. II
412785.1821 3.6875 -3.9181 3 286.3888285 89503 303473512 463413 a-Alanine, conf. II
412785.1821 3.6875 -3.9181 3 286.3888285 89503 303473513 463412 a-Alanine, conf. II
412828.1340 2.1931 -4.0555 3 301.1698309 89503 303513022 502921 a-Alanine, conf. II
412828.1342 2.1931 -4.0555 3 301.1698309 89503 303513021 502922 a-Alanine, conf. II
412860.3663 2.1579 -4.3792 3 174.7955237 89503 303392415 382216 a-Alanine, conf. II
412860.3888 2.1579 -4.3792 3 174.7955237 89503 303392416 382217 a-Alanine, conf. II
413036.2044 13.6811 -3.1082 3 592.7421483 89503 303801466 791465 a-Alanine, conf. II
413036.2044 13.6811 -4.3210 3 592.7421483 89503 303801466 791565 a-Alanine, conf. II
413036.2044 13.6811 -4.3210 3 592.7421483 89503 303801566 791465 a-Alanine, conf. II
413036.2044 13.6811 -3.1082 3 592.7421483 89503 303801566 791565 a-Alanine, conf. II
413059.8652 16.4258 -3.5138 3 666.4242441 89503 303734924 724923 a-Alanine, conf. II
413059.8652 16.4258 -3.5138 3 666.4242441 89503 303734925 724924 a-Alanine, conf. II
413123.8469120.5797 -3.0689 3 618.4133543 89503 30390 090 89 089 a-Alanine, conf. II
413123.8469120.5797 -4.1639 3 618.4133543 89503 30390 090 89 189 a-Alanine, conf. II
413123.8469120.5797 -4.1639 3 618.4133543 89503 30390 190 89 089 a-Alanine, conf. II
413123.8469120.5797 -3.0689 3 618.4133543 89503 30390 190 89 189 a-Alanine, conf. II
413246.7401 40.4440 -3.0982 3 610.8002513 89503 30385 778 84 777 a-Alanine, conf. II
413246.7401 40.4440 -4.2390 3 610.8002513 89503 30385 778 84 877 a-Alanine, conf. II
413246.7401 40.4440 -4.2390 3 610.8002513 89503 30385 878 84 777 a-Alanine, conf. II
413246.7401 40.4440 -3.0982 3 610.8002513 89503 30385 878 84 877 a-Alanine, conf. II
413273.5776 18.1703 -3.1119 3 545.8540429 89503 303713240 703239 a-Alanine, conf. II
413313.2689 5.9993 -3.8400 3 281.4830267 89503 3034439 5 4338 6 a-Alanine, conf. II
413313.2689 5.9993 -3.8400 3 281.4830267 89503 3034439 6 4338 5 a-Alanine, conf. II
413339.7472 9.9508 -4.4414 3 563.7589453 89503 303752154 742253 a-Alanine, conf. II
413339.7520 9.9508 -3.0940 3 563.7589453 89503 303752254 742253 a-Alanine, conf. II
413339.7591 9.9509 -3.0940 3 563.7589453 89503 303752154 742153 a-Alanine, conf. II
413339.7640 9.9509 -4.4414 3 563.7589453 89503 303752254 742153 a-Alanine, conf. II
413357.0616 18.6150 -3.1117 3 545.8563429 89503 303713239 703238 a-Alanine, conf. II
413388.9580 16.4188 -3.4847 3 659.6065441 89503 303734825 724824 a-Alanine, conf. II
413388.9580 16.4188 -3.4847 3 659.6065441 89503 303734826 724825 a-Alanine, conf. II
413425.5917 16.5207 -3.2152 3 581.6152435 89503 303723736 713735 a-Alanine, conf. II
413425.5954 16.5207 -3.2152 3 581.6152435 89503 303723735 713734 a-Alanine, conf. II
413635.0297 12.0270 -3.1076 3 583.6841471 89503 303781761 771760 a-Alanine, conf. II
413635.0297 12.0270 -4.3655 3 583.6841471 89503 303781761 771860 a-Alanine, conf. II
413635.0297 12.0270 -4.3655 3 583.6841471 89503 303781861 771760 a-Alanine, conf. II
413635.0297 12.0270 -3.1076 3 583.6841471 89503 303781861 771860 a-Alanine, conf. II
413670.9943 2.2300 -4.0947 3 307.0420315 89503 303522924 512823 a-Alanine, conf. II
413671.0048 2.2300 -4.0947 3 307.0420315 89503 303522923 512824 a-Alanine, conf. II
413742.4742 16.4258 -3.4567 3 652.9461441 89503 303734726 724725 a-Alanine, conf. II
413742.4742 16.4258 -3.4567 3 652.9461441 89503 303734727 724726 a-Alanine, conf. II
413821.6028 23.6773 -3.1069 3 606.3090501 89503 303831073 821072 a-Alanine, conf. II
413821.6028 23.6773 -4.2740 3 606.3090501 89503 303831073 821172 a-Alanine, conf. II
413821.6028 23.6773 -4.2740 3 606.3090501 89503 303831173 821072 a-Alanine, conf. II
413821.6028 23.6773 -3.1069 3 606.3090501 89503 303831173 821172 a-Alanine, conf. II
413850.7446 9.7233 -4.4475 3 332.4958339 89503 303562432 552333 a-Alanine, conf. II
413876.7092 79.2431 -3.0858 3 618.3855531 89503 30388 385 87 384 a-Alanine, conf. II
413876.7092 79.2431 -4.1981 3 618.3855531 89503 30388 385 87 484 a-Alanine, conf. II
413876.7092 79.2431 -4.1981 3 618.3855531 89503 30388 485 87 384 a-Alanine, conf. II
413876.7092 79.2431 -3.0858 3 618.3855531 89503 30388 485 87 484 a-Alanine, conf. II
413997.3772 3.2147 -3.9434 3 290.5343291 89503 303483414 473315 a-Alanine, conf. II
413997.3772 3.2147 -3.9434 3 290.5343291 89503 303483415 473314 a-Alanine, conf. II
414010.6139 3.3491 -4.3970 3 346.3004345 89503 303572533 562432 a-Alanine, conf. II
414123.0802 16.4486 -3.4296 3 646.4443441 89503 303734627 724626 a-Alanine, conf. II
414123.0802 16.4486 -3.4296 3 646.4443441 89503 303734628 724627 a-Alanine, conf. II
414172.2281 1.5585 -4.1821 3 208.7963267 89503 303442222 432023 a-Alanine, conf. II
414295.1766 2.7836 -4.2595 3 327.3694333 89503 303552630 542529 a-Alanine, conf. II
414311.0376 2.3899 -4.1396 3 313.3438321 89503 303532826 522725 a-Alanine, conf. II
414311.4409 2.3902 -4.1396 3 313.3438321 89503 303532825 522726 a-Alanine, conf. II
414329.7821 10.9791 -4.5023 3 369.2073357 89503 303592535 582434 a-Alanine, conf. II
414339.8172 3.6312 -4.1809 3 214.4426279 89503 303461630 451431 a-Alanine, conf. II
414354.1969 16.9151 -3.1949 3 576.8059435 89503 303723637 713636 a-Alanine, conf. II
414354.2370 16.9154 -3.1949 3 576.8059435 89503 303723636 713635 a-Alanine, conf. II
414363.2270 15.2966 -3.1119 3 599.8910489 89503 303811368 801367 a-Alanine, conf. II
414363.2270 15.2966 -4.3114 3 599.8910489 89503 303811368 801467 a-Alanine, conf. II
414363.2270 15.2966 -4.3114 3 599.8910489 89503 303811468 801367 a-Alanine, conf. II
414363.2270 15.2966 -3.1119 3 599.8910489 89503 303811468 801467 a-Alanine, conf. II
414454.3298 10.7673 -4.4209 3 572.5441459 89503 303762056 752155 a-Alanine, conf. II
414454.3299 10.7673 -3.1017 3 572.5441459 89503 303762156 752155 a-Alanine, conf. II
414454.3302 10.7673 -3.1017 3 572.5441459 89503 303762056 752055 a-Alanine, conf. II
414454.3303 10.7673 -4.4209 3 572.5441459 89503 303762156 752055 a-Alanine, conf. II
414532.2464 3.0068 -4.2591 3 327.3634333 89503 303552629 542530 a-Alanine, conf. II
414533.8747 16.4890 -3.4034 3 640.1026441 89503 303734528 724527 a-Alanine, conf. II
414533.8747 16.4890 -3.4034 3 640.1026441 89503 303734529 724528 a-Alanine, conf. II
414544.7218 49.1832 -3.0992 3 616.4481519 89503 30386 680 85 679 a-Alanine, conf. II
414544.7218 49.1832 -4.2320 3 616.4481519 89503 30386 680 85 779 a-Alanine, conf. II
414544.7218 49.1832 -4.2320 3 616.4481519 89503 30386 780 85 679 a-Alanine, conf. II
414544.7218 49.1832 -3.0992 3 616.4481519 89503 30386 780 85 779 a-Alanine, conf. II
414571.0000 5.4552 -4.1457 3 225.7935285 89503 303471730 461531 a-Alanine, conf. II
414596.6489 5.3256 -3.8599 3 284.3968273 89503 3034538 7 4437 8 a-Alanine, conf. II
414596.6489 5.3256 -3.8599 3 284.3968273 89503 3034538 8 4437 7 a-Alanine, conf. II
414611.3711 7.6632 -3.0501 3 529.0729429 89503 303712745 702744 a-Alanine, conf. II
414614.2772 1.5239 -4.1814 3 208.7810267 89503 303442223 432024 a-Alanine, conf. II
414628.8493 2.6290 -4.1928 3 320.1040327 89503 303542728 532627 a-Alanine, conf. II
414632.4957 7.6140 -4.5899 3 539.4517435 89503 303722547 712646 a-Alanine, conf. II
414640.3044 2.6400 -4.1928 3 320.1037327 89503 303542727 532628 a-Alanine, conf. II
414756.5459 4.5891 -4.3498 3 335.1712339 89503 303562531 552432 a-Alanine, conf. II
414853.7433 10.9359 -3.9550 3 282.7723315 89503 303522131 511932 a-Alanine, conf. II
414863.2619 18.2741 -4.6477 3 306.0788327 89503 303542232 532133 a-Alanine, conf. II
414930.4902 12.6700 -3.1127 3 591.5085477 89503 303791663 781662 a-Alanine, conf. II
414930.4902 12.6700 -4.3533 3 591.5085477 89503 303791663 781762 a-Alanine, conf. II
414930.4902 12.6700 -4.3533 3 591.5085477 89503 303791763 781662 a-Alanine, conf. II
414930.4902 12.6700 -3.1127 3 591.5085477 89503 303791763 781762 a-Alanine, conf. II
414936.4279 19.6921 -4.6215 3 858.2314447 89503 3037470 4 7370 3 a-Alanine, conf. II
414936.4279 19.6921 -4.6215 3 858.2314447 89503 3037470 5 7370 4 a-Alanine, conf. II
414978.4881 16.5495 -3.3781 3 633.9227441 89503 303734429 724428 a-Alanine, conf. II
414978.4881 16.5495 -3.3781 3 633.9227441 89503 303734430 724429 a-Alanine, conf. II
415011.3495 7.4264 -3.0642 3 539.4517435 89503 303722647 712646 a-Alanine, conf. II
415024.5754 8.1513 -3.7938 3 282.5189255 89503 3034242 0 4141 1 a-Alanine, conf. II
415024.5754 8.1513 -3.7938 3 282.5189255 89503 3034242 1 4141 0 a-Alanine, conf. II
415038.7595 19.5182 -4.5067 3 848.2697447 89503 3037469 5 7369 4 a-Alanine, conf. II
415038.7595 19.5182 -4.5067 3 848.2697447 89503 3037469 6 7369 5 a-Alanine, conf. II
415105.1430 7.8849 -3.0235 3 514.9802423 89503 303702644 692643 a-Alanine, conf. II
415130.2140 19.0219 -3.0931 3 542.0921429 89503 303713141 703140 a-Alanine, conf. II
415134.1940 93.5459 -3.0853 3 623.1896537 89503 30389 287 88 286 a-Alanine, conf. II
415134.1940 93.5459 -4.1915 3 623.1896537 89503 30389 287 88 386 a-Alanine, conf. II
415134.1940 93.5459 -4.1915 3 623.1896537 89503 30389 387 88 286 a-Alanine, conf. II
415134.1940 93.5459 -3.0853 3 623.1896537 89503 30389 387 88 386 a-Alanine, conf. II
415141.3294 28.9999 -3.1090 3 612.6014507 89503 30384 975 83 974 a-Alanine, conf. II
415141.3294 28.9999 -4.2665 3 612.6014507 89503 30384 975 831074 a-Alanine, conf. II
415141.3294 28.9999 -4.2665 3 612.6014507 89503 303841075 83 974 a-Alanine, conf. II
415141.3294 28.9999 -3.1090 3 612.6014507 89503 303841075 831074 a-Alanine, conf. II
415145.7515 6.3304 -4.4466 3 357.6138351 89503 303582534 572433 a-Alanine, conf. II
415146.3672 19.3509 -4.4099 3 838.4543447 89503 3037468 6 7368 5 a-Alanine, conf. II
415146.3672 19.3509 -4.4099 3 838.4543447 89503 3037468 7 7368 6 a-Alanine, conf. II
415169.6859 2.8184 -3.9707 3 295.0500297 89503 303493316 483217 a-Alanine, conf. II
415169.6859 2.8184 -3.9707 3 295.0500297 89503 303493317 483216 a-Alanine, conf. II
415259.5695 19.1903 -4.3256 3 828.7855447 89503 3037467 7 7367 6 a-Alanine, conf. II
415259.5695 19.1903 -4.3256 3 828.7855447 89503 3037467 8 7367 7 a-Alanine, conf. II
415273.8607 8.0938 -4.5367 3 549.4586441 89503 303732449 722548 a-Alanine, conf. II
415299.0085 8.1108 -3.0773 3 549.4586441 89503 303732549 722548 a-Alanine, conf. II
415327.8354 8.1289 -3.0773 3 549.4568441 89503 303732449 722448 a-Alanine, conf. II
415352.9831 8.1490 -4.5365 3 549.4568441 89503 303732549 722448 a-Alanine, conf. II
415378.7111 19.0364 -4.2506 3 819.2634447 89503 3037466 8 7366 7 a-Alanine, conf. II
415378.7111 19.0364 -4.2506 3 819.2634447 89503 3037466 9 7366 8 a-Alanine, conf. II
415389.2251 7.5165 -3.0633 3 539.4264435 89503 303722547 712546 a-Alanine, conf. II
415414.8801 17.4290 -3.1751 3 572.1923435 89503 303723538 713537 a-Alanine, conf. II
415415.2716 17.4319 -3.1751 3 572.1923435 89503 303723537 713536 a-Alanine, conf. II
415420.4755 29.1988 -3.0094 3 505.4421417 89503 303692841 682840 a-Alanine, conf. II
415461.2140 16.6332 -3.3535 3 627.9066441 89503 303734330 724329 a-Alanine, conf. II
415461.2140 16.6332 -3.3535 3 627.9066441 89503 303734331 724330 a-Alanine, conf. II
415504.1659 18.8892 -4.1828 3 809.8885447 89503 3037465 9 7365 8 a-Alanine, conf. II
415504.1659 18.8892 -4.1828 3 809.8885447 89503 303746510 7365 9 a-Alanine, conf. II
415569.1321 1.9749 -4.0902 3 232.8657285 89503 303472127 461928 a-Alanine, conf. II
415596.6262 31.0759 -4.6602 3 445.6250393 89503 303652640 642539 a-Alanine, conf. II
415634.4083 21.3965 -3.0921 3 542.1078429 89503 303713140 703139 a-Alanine, conf. II
415636.3397 18.7489 -4.1207 3 800.6609447 89503 303746410 7364 9 a-Alanine, conf. II
415636.3397 18.7489 -4.1207 3 800.6609447 89503 303746411 736410 a-Alanine, conf. II
415643.9721 11.5123 -3.1087 3 581.0861465 89503 303771958 761957 a-Alanine, conf. II
415643.9721 11.5123 -4.4036 3 581.0861465 89503 303771958 762057 a-Alanine, conf. II
415643.9721 11.5123 -4.4036 3 581.0861465 89503 303772058 761957 a-Alanine, conf. II
415643.9721 11.5123 -3.1087 3 581.0861465 89503 303772058 762057 a-Alanine, conf. II
415691.5545 17.6974 -3.1152 3 606.8346495 89503 303821270 811269 a-Alanine, conf. II
415691.5545 17.6974 -4.3026 3 606.8346495 89503 303821270 811369 a-Alanine, conf. II
415691.5545 17.6974 -4.3026 3 606.8346495 89503 303821370 811269 a-Alanine, conf. II
415691.5545 17.6974 -3.1152 3 606.8346495 89503 303821370 811369 a-Alanine, conf. II
415768.0789 7.9166 -4.5872 3 539.4264435 89503 303722647 712546 a-Alanine, conf. II
415775.6739 18.6156 -4.0633 3 791.5810447 89503 303746311 736310 a-Alanine, conf. II
415775.6739 18.6156 -4.0633 3 791.5810447 89503 303746312 736311 a-Alanine, conf. II
415832.3907 59.3395 -3.0998 3 621.8960525 89503 30387 582 86 581 a-Alanine, conf. II
415832.3907 59.3395 -4.2253 3 621.8960525 89503 30387 582 86 681 a-Alanine, conf. II
415832.3907 59.3395 -4.2253 3 621.8960525 89503 30387 682 86 581 a-Alanine, conf. II
415832.3907 59.3395 -3.0998 3 621.8960525 89503 30387 682 86 681 a-Alanine, conf. II
415867.3854 4.6976 -3.8810 3 287.6631279 89503 3034637 9 453610 a-Alanine, conf. II
415867.3854 4.6976 -3.8810 3 287.6631279 89503 303463710 4536 9 a-Alanine, conf. II
415920.0286 8.9279 -4.4996 3 559.1167447 89503 303742351 732450 a-Alanine, conf. II
415921.3399 8.9295 -3.0886 3 559.1167447 89503 303742451 732450 a-Alanine, conf. II
415922.6496 18.4893 -4.0098 3 782.6491447 89503 303746212 736211 a-Alanine, conf. II
415922.6496 18.4893 -4.0098 3 782.6491447 89503 303746213 736212 a-Alanine, conf. II
415923.0040 8.9313 -3.0886 3 559.1166447 89503 303742351 732350 a-Alanine, conf. II
415924.3153 8.9329 -4.4996 3 559.1166447 89503 303742451 732350 a-Alanine, conf. II
415949.4811 3.2140 -4.5676 3 160.0641219 89503 303362610 352411 a-Alanine, conf. II
415949.4811 3.2140 -4.5676 3 160.0641219 89503 303362611 352412 a-Alanine, conf. II
415971.1860 3.1729 -4.1784 3 214.4448279 89503 303461730 451531 a-Alanine, conf. II
415987.1855 16.7442 -3.3297 3 622.0564441 89503 303734231 724230 a-Alanine, conf. II
415987.1855 16.7442 -3.3297 3 622.0564441 89503 303734232 724231 a-Alanine, conf. II
416077.7923 18.3702 -3.9596 3 773.8654447 89503 303746113 736112 a-Alanine, conf. II
416077.7923 18.3702 -3.9596 3 773.8654447 89503 303746114 736113 a-Alanine, conf. II
416241.6769 18.2584 -3.9123 3 765.2305447 89503 303746014 736013 a-Alanine, conf. II
416241.6769 18.2584 -3.9123 3 765.2305447 89503 303746015 736014 a-Alanine, conf. II
416241.9211 13.4821 -3.1174 3 599.1191483 89503 303801565 791564 a-Alanine, conf. II
416241.9211 13.4821 -4.3423 3 599.1191483 89503 303801565 791664 a-Alanine, conf. II
416241.9211 13.4821 -4.3423 3 599.1191483 89503 303801665 791564 a-Alanine, conf. II
416241.9211 13.4821 -3.1174 3 599.1191483 89503 303801665 791664 a-Alanine, conf. II
416271.2688 1.0613 -4.3230 3 189.3962267 89503 303441331 431132 a-Alanine, conf. II
416286.9897 1.0592 -4.3230 3 189.3962267 89503 303441431 431232 a-Alanine, conf. II
416287.1100 2.5201 -4.0004 3 299.9434303 89503 303503218 493119 a-Alanine, conf. II
416287.1100 2.5201 -4.0004 3 299.9434303 89503 303503219 493118 a-Alanine, conf. II
416324.9911 7.3506 -3.8108 3 284.5860261 89503 3034341 2 4240 3 a-Alanine, conf. II
416324.9911 7.3506 -3.8108 3 284.5860261 89503 3034341 3 4240 2 a-Alanine, conf. II
416379.6653109.6295 -3.0846 3 627.7926543 89503 30390 189 89 188 a-Alanine, conf. II
416379.6653109.6295 -4.1850 3 627.7926543 89503 30390 189 89 288 a-Alanine, conf. II
416379.6653109.6295 -4.1850 3 627.7926543 89503 30390 289 89 188 a-Alanine, conf. II
416379.6653109.6295 -3.0846 3 627.7926543 89503 30390 289 89 288 a-Alanine, conf. II
416414.9340 18.1541 -3.8676 3 756.7446447 89503 303745915 735914 a-Alanine, conf. II
416414.9340 18.1541 -3.8676 3 756.7446447 89503 303745916 735915 a-Alanine, conf. II
416453.6630 35.5527 -3.1108 3 618.6932513 89503 30385 877 84 876 a-Alanine, conf. II
416453.6630 35.5527 -4.2593 3 618.6932513 89503 30385 877 84 976 a-Alanine, conf. II
416453.6630 35.5527 -4.2593 3 618.6932513 89503 30385 977 84 876 a-Alanine, conf. II
416453.6630 35.5527 -3.1108 3 618.6932513 89503 30385 977 84 976 a-Alanine, conf. II
416562.6156 16.8876 -3.3067 3 616.3749441 89503 303734132 724131 a-Alanine, conf. II
416562.6156 16.8876 -3.3067 3 616.3749441 89503 303734133 724132 a-Alanine, conf. II
416598.2569 18.0576 -3.8251 3 748.4083447 89503 303745816 735815 a-Alanine, conf. II
416598.2569 18.0576 -3.8251 3 748.4083447 89503 303745817 735816 a-Alanine, conf. II
416644.5362 18.1093 -3.1558 3 567.7841435 89503 303723439 713438 a-Alanine, conf. II
416647.9525 18.1322 -3.1558 3 567.7841435 89503 303723438 713437 a-Alanine, conf. II
416792.4097 17.9690 -3.7846 3 740.2219447 89503 303745717 735716 a-Alanine, conf. II
416792.4097 17.9690 -3.7846 3 740.2219447 89503 303745718 735717 a-Alanine, conf. II
416793.6251 9.8152 -4.4711 3 568.4692453 89503 303752253 742352 a-Alanine, conf. II
416793.6807 9.8153 -3.0984 3 568.4692453 89503 303752353 742352 a-Alanine, conf. II
416793.7574 9.8154 -3.0984 3 568.4692453 89503 303752253 742252 a-Alanine, conf. II
416793.8131 9.8155 -4.4711 3 568.4692453 89503 303752353 742252 a-Alanine, conf. II
416814.5078 13.2626 -4.6646 3 542.9029435 89503 303722646 712745 a-Alanine, conf. II
416884.2167 12.1837 -3.1151 3 589.3958471 89503 303781860 771859 a-Alanine, conf. II
416884.2167 12.1837 -4.3887 3 589.3958471 89503 303781860 771959 a-Alanine, conf. II
416884.2167 12.1837 -4.3887 3 589.3958471 89503 303781960 771859 a-Alanine, conf. II
416884.2167 12.1837 -3.1151 3 589.3958471 89503 303781960 771959 a-Alanine, conf. II
416998.2370 17.8887 -3.7459 3 732.1860447 89503 303745618 735617 a-Alanine, conf. II
416998.2370 17.8887 -3.7459 3 732.1860447 89503 303745619 735618 a-Alanine, conf. II
417009.6217 18.7047 -3.0753 3 538.5910429 89503 303713042 703041 a-Alanine, conf. II
417018.0891 21.0742 -3.1182 3 613.5748501 89503 303831172 821171 a-Alanine, conf. II
417018.0891 21.0742 -4.2945 3 613.5748501 89503 303831172 821271 a-Alanine, conf. II
417018.0891 21.0742 -4.2945 3 613.5748501 89503 303831272 821171 a-Alanine, conf. II
417018.0891 21.0742 -3.1182 3 613.5748501 89503 303831272 821271 a-Alanine, conf. II
417109.1337 71.0076 -3.1002 3 627.1438531 89503 30388 484 87 483 a-Alanine, conf. II
417109.1337 71.0076 -4.2188 3 627.1438531 89503 30388 484 87 583 a-Alanine, conf. II
417109.1337 71.0076 -4.2188 3 627.1438531 89503 30388 584 87 483 a-Alanine, conf. II
417109.1337 71.0076 -3.1002 3 627.1438531 89503 30388 584 87 583 a-Alanine, conf. II
417120.6031 4.1197 -3.9036 3 291.2857285 89503 303473611 463512 a-Alanine, conf. II
417120.6031 4.1197 -3.9036 3 291.2857285 89503 303473612 463511 a-Alanine, conf. II
417177.4326 1.7244 -4.2603 3 194.9362255 89503 303422319 412120 a-Alanine, conf. II
417184.1920 31.1320 -3.0407 3 521.8225423 89503 303702941 692940 a-Alanine, conf. II
417185.6261 1.7233 -4.2602 3 194.9360255 89503 303422320 412121 a-Alanine, conf. II
417195.1353 17.0703 -3.2844 3 610.8650441 89503 303734033 724032 a-Alanine, conf. II
417195.1353 17.0703 -3.2844 3 610.8650441 89503 303734034 724033 a-Alanine, conf. II
417209.2672 2.6122 -4.4476 3 170.6477231 89503 303382513 372314 a-Alanine, conf. II
417209.2675 2.6122 -4.4476 3 170.6477231 89503 303382514 372315 a-Alanine, conf. II
417216.6752 17.8171 -3.7089 3 724.3011447 89503 303745519 735518 a-Alanine, conf. II
417216.6752 17.8171 -3.7089 3 724.3011447 89503 303745520 735519 a-Alanine, conf. II
417328.3747 2.3446 -4.0330 3 305.2241309 89503 303513120 503021 a-Alanine, conf. II
417328.3747 2.3446 -4.0330 3 305.2241309 89503 303513121 503020 a-Alanine, conf. II
417371.8070 10.8895 -3.0522 3 532.2160429 89503 303712844 702843 a-Alanine, conf. II
417446.4333 1.6365 -4.1605 3 217.3827273 89503 303452223 442024 a-Alanine, conf. II
417448.7653 17.7545 -3.6735 3 716.5679447 89503 303745420 735419 a-Alanine, conf. II
417448.7653 17.7545 -3.6735 3 716.5679447 89503 303745421 735420 a-Alanine, conf. II
417531.9456 12.9646 -4.0261 3 270.5870309 89503 303512031 501832 a-Alanine, conf. II
417562.7286 14.6627 -3.1217 3 606.5195489 89503 303811467 801466 a-Alanine, conf. II
417562.7286 14.6627 -4.3324 3 606.5195489 89503 303811467 801566 a-Alanine, conf. II
417562.7286 14.6627 -4.3324 3 606.5195489 89503 303811567 801466 a-Alanine, conf. II
417562.7286 14.6627 -3.1217 3 606.5195489 89503 303811567 801566 a-Alanine, conf. II
417612.9805127.6157 -3.0836 3 632.1936549 89503 30391 091 90 090 a-Alanine, conf. II
417612.9805127.6157 -4.1786 3 632.1936549 89503 30391 091 90 190 a-Alanine, conf. II
417612.9805127.6157 -4.1786 3 632.1936549 89503 30391 191 90 090 a-Alanine, conf. II
417612.9805127.6157 -3.0836 3 632.1936549 89503 30391 191 90 190 a-Alanine, conf. II
417620.3275 6.5924 -3.8289 3 286.9985267 89503 3034440 4 4339 5 a-Alanine, conf. II
417620.3275 6.5924 -3.8289 3 286.9985267 89503 3034440 5 4339 4 a-Alanine, conf. II
417624.2234 2.1351 -3.9652 3 284.5143315 89503 303522230 512031 a-Alanine, conf. II
417695.6695 17.7014 -3.6394 3 708.9870447 89503 303745321 735320 a-Alanine, conf. II
417695.6695 17.7014 -3.6394 3 708.9870447 89503 303745322 735321 a-Alanine, conf. II
417734.8136 3.5106 -4.0110 3 274.1880309 89503 303512229 502030 a-Alanine, conf. II
417757.3677 43.4091 -3.1123 3 624.5846519 89503 30386 779 85 778 a-Alanine, conf. II
417757.3677 43.4091 -4.2524 3 624.5846519 89503 30386 779 85 878 a-Alanine, conf. II
417757.3677 43.4091 -4.2524 3 624.5846519 89503 30386 879 85 778 a-Alanine, conf. II
417757.3677 43.4091 -3.1123 3 624.5846519 89503 30386 879 85 878 a-Alanine, conf. II
417774.3970 2.1017 -4.3475 3 182.2537243 89503 303402416 392217 a-Alanine, conf. II
417774.4717 2.1017 -4.3475 3 182.2537243 89503 303402417 392218 a-Alanine, conf. II
417823.8188 10.7033 -4.4480 3 577.5465459 89503 303762155 752254 a-Alanine, conf. II
417823.8207 10.7033 -3.1072 3 577.5465459 89503 303762255 752254 a-Alanine, conf. II
417823.8236 10.7033 -3.1072 3 577.5465459 89503 303762155 752154 a-Alanine, conf. II
417823.8256 10.7033 -4.4480 3 577.5465459 89503 303762255 752154 a-Alanine, conf. II
417845.6436 8.1717 -3.0417 3 528.8267429 89503 303712645 702644 a-Alanine, conf. II
417888.9654 0.5350 -4.4465 3 175.4569261 89503 303431132 42 933 a-Alanine, conf. II
417889.2445 0.5350 -4.4465 3 175.4569261 89503 303431232 421033 a-Alanine, conf. II
417894.2804 17.3013 -3.2627 3 605.5304441 89503 303733935 723934 a-Alanine, conf. II
417894.2805 17.3013 -3.2627 3 605.5304441 89503 303733934 723933 a-Alanine, conf. II
417958.6893 17.6585 -3.6066 3 701.5592447 89503 303745222 735221 a-Alanine, conf. II
417958.6893 17.6585 -3.6066 3 701.5592447 89503 303745223 735222 a-Alanine, conf. II
418093.9920 19.0052 -3.1367 3 563.5941435 89503 303723340 713339 a-Alanine, conf. II
418109.2400 15.7225 -3.0606 3 535.3318429 89503 303712943 702942 a-Alanine, conf. II
418120.2914 19.1653 -3.1367 3 563.5947435 89503 303723339 713338 a-Alanine, conf. II
418139.7794 1.0048 -4.6011 3 161.5093255 89503 30342 933 41 734 a-Alanine, conf. II
418139.7823 1.0048 -4.6011 3 161.5093255 89503 303421033 41 834 a-Alanine, conf. II
418158.6332 12.8190 -3.1209 3 597.4815477 89503 303791762 781761 a-Alanine, conf. II
418158.6332 12.8190 -4.3756 3 597.4815477 89503 303791762 781861 a-Alanine, conf. II
418158.6332 12.8190 -4.3756 3 597.4815477 89503 303791862 781761 a-Alanine, conf. II
418158.6332 12.8190 -3.1209 3 597.4815477 89503 303791862 781861 a-Alanine, conf. II
418239.2889 17.6264 -3.5750 3 694.2852447 89503 303745123 735122 a-Alanine, conf. II
418239.2889 17.6264 -3.5750 3 694.2852447 89503 303745124 735123 a-Alanine, conf. II
418260.1967 14.4820 -2.9905 3 503.2926417 89503 303692742 682741 a-Alanine, conf. II
418262.3588 2.3098 -4.0692 3 310.9046315 89503 303523023 512922 a-Alanine, conf. II
418262.3595 2.3098 -4.0692 3 310.9046315 89503 303523022 512923 a-Alanine, conf. II
418340.4189 25.5612 -3.1209 3 620.1126507 89503 303841074 831073 a-Alanine, conf. II
418340.4189 25.5612 -4.2869 3 620.1126507 89503 303841074 831173 a-Alanine, conf. II
418340.4189 25.5612 -4.2869 3 620.1126507 89503 303841174 831073 a-Alanine, conf. II
418340.4189 25.5612 -3.1209 3 620.1126507 89503 303841174 831173 a-Alanine, conf. II
418349.7807 3.5995 -3.9278 3 295.2691291 89503 303483513 473414 a-Alanine, conf. II
418349.7807 3.5995 -3.9278 3 295.2691291 89503 303483514 473413 a-Alanine, conf. II
418374.4918 84.2909 -3.1003 3 632.1909537 89503 30389 386 88 385 a-Alanine, conf. II
418374.4918 84.2909 -4.2124 3 632.1909537 89503 30389 386 88 485 a-Alanine, conf. II
418374.4918 84.2909 -4.2124 3 632.1909537 89503 30389 486 88 385 a-Alanine, conf. II
418374.4918 84.2909 -3.1003 3 632.1909537 89503 30389 486 88 485 a-Alanine, conf. II
418421.9544 1.5599 -4.1589 3 217.3488273 89503 303452224 442025 a-Alanine, conf. II
418482.7519 3.9819 -4.0772 3 239.7839291 89503 303482029 471830 a-Alanine, conf. II
418539.1223 17.6061 -3.5446 3 687.1659447 89503 303745024 735023 a-Alanine, conf. II
418539.1223 17.6061 -3.5446 3 687.1659447 89503 303745025 735024 a-Alanine, conf. II
418672.2170 17.5936 -3.2416 3 600.3755441 89503 303733836 723835 a-Alanine, conf. II
418672.2179 17.5936 -3.2416 3 600.3755441 89503 303733835 723834 a-Alanine, conf. II
418860.0680 17.5985 -3.5152 3 680.2024447 89503 303744925 734924 a-Alanine, conf. II
418860.0680 17.5985 -3.5152 3 680.2024447 89503 303744926 734925 a-Alanine, conf. II
418887.9617 16.4515 -3.1256 3 613.7126495 89503 303821369 811368 a-Alanine, conf. II
418887.9617 16.4515 -4.3234 3 613.7126495 89503 303821369 811468 a-Alanine, conf. II
418887.9617 16.4515 -4.3234 3 613.7126495 89503 303821469 811368 a-Alanine, conf. II
418887.9617 16.4515 -3.1256 3 613.7126495 89503 303821469 811468 a-Alanine, conf. II
418908.2567 5.8776 -3.8481 3 289.7588273 89503 3034539 6 4438 7 a-Alanine, conf. II
418908.2567 5.8776 -3.8481 3 289.7588273 89503 3034539 7 4438 6 a-Alanine, conf. II
418956.0682 11.5409 -4.4289 3 586.3688465 89503 303772057 762156 a-Alanine, conf. II
418956.0683 11.5409 -3.1150 3 586.3688465 89503 303772157 762156 a-Alanine, conf. II
418956.0684 11.5409 -3.1150 3 586.3688465 89503 303772057 762056 a-Alanine, conf. II
418956.0684 11.5409 -4.4289 3 586.3688465 89503 303772157 762056 a-Alanine, conf. II
419016.3170 2.9055 -4.2862 3 338.0748339 89503 303562631 552530 a-Alanine, conf. II
419041.5338 2.4136 -4.1100 3 317.0010321 89503 303532925 522824 a-Alanine, conf. II
419041.5662 2.4136 -4.1100 3 317.0009321 89503 303532924 522825 a-Alanine, conf. II
419051.4747 52.6484 -3.1135 3 630.2758525 89503 30387 681 86 680 a-Alanine, conf. II
419051.4747 52.6484 -4.2458 3 630.2758525 89503 30387 681 86 780 a-Alanine, conf. II
419051.4747 52.6484 -4.2458 3 630.2758525 89503 30387 781 86 680 a-Alanine, conf. II
419051.4747 52.6484 -3.1135 3 630.2758525 89503 30387 781 86 780 a-Alanine, conf. II
419055.9540 7.7474 -3.0635 3 542.9029435 89503 303722746 712745 a-Alanine, conf. II
419096.7782 8.0153 -4.5841 3 553.2950441 89503 303732548 722647 a-Alanine, conf. II
419173.8174 4.0476 -4.1403 3 225.8018285 89503 303471830 461631 a-Alanine, conf. II
419204.2703 17.6050 -3.4868 3 673.3957447 89503 303744826 734825 a-Alanine, conf. II
419204.2703 17.6050 -3.4868 3 673.3957447 89503 303744827 734826 a-Alanine, conf. II
419282.5396 8.0078 -3.0780 3 553.2950441 89503 303732648 722647 a-Alanine, conf. II
419434.6208 28.1541 -3.0700 3 538.6819429 89503 303713041 703040 a-Alanine, conf. II
419455.7253 13.5070 -3.1263 3 605.3491483 89503 303801664 791663 a-Alanine, conf. II
419455.7253 13.5070 -4.3641 3 605.3491483 89503 303801664 791763 a-Alanine, conf. II
419455.7253 13.5070 -4.3641 3 605.3491483 89503 303801764 791663 a-Alanine, conf. II
419455.7253 13.5070 -3.1263 3 605.3491483 89503 303801764 791763 a-Alanine, conf. II
419475.6320 8.0716 -3.0775 3 553.2823441 89503 303732548 722547 a-Alanine, conf. II
419522.2269 4.0344 -4.0536 3 264.0708303 89503 303502228 492029 a-Alanine, conf. II
419544.8655 17.9654 -3.2211 3 595.4056441 89503 303733737 723736 a-Alanine, conf. II
419544.8755 17.9655 -3.2211 3 595.4056441 89503 303733736 723735 a-Alanine, conf. II
419546.1162 3.1495 -3.9537 3 299.6187297 89503 303493415 483316 a-Alanine, conf. II
419546.1162 3.1495 -3.9537 3 299.6187297 89503 303493416 483315 a-Alanine, conf. II
419551.5970 3.4338 -4.2852 3 338.0612339 89503 303562630 552531 a-Alanine, conf. II
419574.1927 17.6270 -3.4594 3 666.7471447 89503 303744727 734726 a-Alanine, conf. II
419574.1927 17.6270 -3.4594 3 666.7471447 89503 303744728 734727 a-Alanine, conf. II
419588.2348 2.6288 -4.1571 3 323.5355327 89503 303542827 532726 a-Alanine, conf. II
419589.3544 2.6299 -4.1571 3 323.5355327 89503 303542826 532727 a-Alanine, conf. II
419608.3765 3.8046 -4.6630 3 156.8961213 89503 3033527 8 3425 9 a-Alanine, conf. II
419608.3765 3.8046 -4.6630 3 156.8961213 89503 3033527 9 342510 a-Alanine, conf. II
419628.1376 99.3002 -3.1000 3 637.0370543 89503 30390 288 89 287 a-Alanine, conf. II
419628.1376 99.3002 -4.2061 3 637.0370543 89503 30390 288 89 387 a-Alanine, conf. II
419628.1376 99.3002 -4.2061 3 637.0370543 89503 30390 388 89 287 a-Alanine, conf. II
419628.1376 99.3002 -3.1000 3 637.0370543 89503 30390 388 89 387 a-Alanine, conf. II
419636.0224 8.7590 -4.5372 3 563.3115447 89503 303742450 732549 a-Alanine, conf. II
419647.5674 8.7692 -3.0910 3 563.3115447 89503 303742550 732549 a-Alanine, conf. II
419656.6529 31.2516 -3.1232 3 626.4491513 89503 30385 976 84 975 a-Alanine, conf. II
419656.6529 31.2516 -4.2797 3 626.4491513 89503 30385 976 841075 a-Alanine, conf. II
419656.6529 31.2516 -4.2797 3 626.4491513 89503 303851076 84 975 a-Alanine, conf. II
419656.6529 31.2516 -3.1232 3 626.4491513 89503 303851076 841075 a-Alanine, conf. II
419661.1702 8.7799 -3.0909 3 563.3107447 89503 303742450 732449 a-Alanine, conf. II
419661.3934 8.2260 -4.5829 3 553.2823441 89503 303732648 722547 a-Alanine, conf. II
419672.7152 8.7908 -4.5372 3 563.3107447 89503 303742550 732449 a-Alanine, conf. II
419751.9606 2.8937 -4.2136 3 330.5409333 89503 303552729 542628 a-Alanine, conf. II
419780.7454 2.9241 -4.2136 3 330.5401333 89503 303552728 542629 a-Alanine, conf. II
419813.4844 20.0568 -3.1179 3 559.6394435 89503 303723241 713240 a-Alanine, conf. II
419972.6842 17.6665 -3.4329 3 660.2580447 89503 303744628 734627 a-Alanine, conf. II
419972.6842 17.6665 -3.4329 3 660.2580447 89503 303744629 734628 a-Alanine, conf. II
419988.7682 21.0146 -3.1175 3 559.6444435 89503 303723240 713239 a-Alanine, conf. II
420088.4794 1.7937 -4.1406 3 226.2029279 89503 303462224 452025 a-Alanine, conf. II
420156.4564 12.3011 -3.1222 3 594.9505471 89503 303781959 771958 a-Alanine, conf. II
420156.4564 12.3011 -4.4127 3 594.9505471 89503 303781959 772058 a-Alanine, conf. II
420156.4564 12.3011 -4.4127 3 594.9505471 89503 303782059 771958 a-Alanine, conf. II
420156.4564 12.3011 -3.1222 3 594.9505471 89503 303782059 772058 a-Alanine, conf. II
420185.7013 5.2080 -3.8684 3 292.8697279 89503 3034638 8 4537 9 a-Alanine, conf. II
420185.7013 5.2080 -3.8684 3 292.8697279 89503 3034638 9 4537 8 a-Alanine, conf. II
420213.8409 19.0831 -3.1292 3 620.7006501 89503 303831271 821270 a-Alanine, conf. II
420213.8409 19.0831 -4.3151 3 620.7006501 89503 303831271 821370 a-Alanine, conf. II
420213.8409 19.0831 -4.3151 3 620.7006501 89503 303831371 821270 a-Alanine, conf. II
420213.8409 19.0831 -3.1292 3 620.7006501 89503 303831371 821370 a-Alanine, conf. II
420335.2315 63.3590 -3.1144 3 635.7667531 89503 30388 583 87 582 a-Alanine, conf. II
420335.2315 63.3590 -4.2394 3 635.7667531 89503 30388 583 87 682 a-Alanine, conf. II
420335.2315 63.3590 -4.2394 3 635.7667531 89503 30388 683 87 582 a-Alanine, conf. II
420335.2315 63.3590 -3.1144 3 635.7667531 89503 30388 683 87 682 a-Alanine, conf. II
420339.5835 9.6447 -4.5034 3 572.9903453 89503 303752352 742451 a-Alanine, conf. II
420340.1547 9.6455 -3.1022 3 572.9903453 89503 303752452 742451 a-Alanine, conf. II
420340.8948 9.6464 -3.1022 3 572.9903453 89503 303752352 742351 a-Alanine, conf. II
420341.4660 9.6472 -4.5034 3 572.9903453 89503 303752452 742351 a-Alanine, conf. II
420403.0650 17.7257 -3.4072 3 653.9300447 89503 303744529 734528 a-Alanine, conf. II
420403.0650 17.7257 -3.4072 3 653.9300447 89503 303744530 734529 a-Alanine, conf. II
420469.4059 20.9611 -4.6599 3 882.1768453 89503 3037571 4 7471 3 a-Alanine, conf. II
420469.4059 20.9611 -4.6599 3 882.1768453 89503 3037571 5 7471 4 a-Alanine, conf. II
420478.2607 1.6841 -4.2728 3 200.4170273 89503 303451431 441232 a-Alanine, conf. II
420533.7094 18.4435 -3.2011 3 590.6273441 89503 303733638 723637 a-Alanine, conf. II
420533.8124 18.4444 -3.2011 3 590.6273441 89503 303733637 723636 a-Alanine, conf. II
420542.6434 1.6709 -4.2727 3 200.4170273 89503 303451531 441332 a-Alanine, conf. II
420571.0250 20.7852 -4.5447 3 872.0722453 89503 3037570 5 7470 4 a-Alanine, conf. II
420571.0250 20.7852 -4.5447 3 872.0722453 89503 3037570 6 7470 5 a-Alanine, conf. II
420627.7594 8.0217 -3.8011 3 290.4009261 89503 3034342 1 4241 2 a-Alanine, conf. II
420627.7594 8.0217 -3.8011 3 290.4009261 89503 3034342 2 4241 1 a-Alanine, conf. II
420677.8289 20.6161 -4.4476 3 862.1139453 89503 3037569 6 7469 5 a-Alanine, conf. II
420677.8289 20.6161 -4.4476 3 862.1139453 89503 3037569 7 7469 6 a-Alanine, conf. II
420680.8816 6.5323 -4.3879 3 346.1385345 89503 303572532 562433 a-Alanine, conf. II
420697.5724 2.7884 -3.9818 3 304.3413303 89503 303503317 493218 a-Alanine, conf. II
420697.5724 2.7884 -3.9818 3 304.3413303 89503 303503318 493217 a-Alanine, conf. II
420767.1908 14.3997 -3.1312 3 613.0034489 89503 303811566 801565 a-Alanine, conf. II
420767.1908 14.3997 -4.3538 3 613.0034489 89503 303811566 801665 a-Alanine, conf. II
420767.1908 14.3997 -4.3538 3 613.0034489 89503 303811666 801565 a-Alanine, conf. II
420767.1908 14.3997 -3.1312 3 613.0034489 89503 303811666 801665 a-Alanine, conf. II
420790.1255 20.4536 -4.3630 3 852.3021453 89503 3037568 7 7468 6 a-Alanine, conf. II
420790.1255 20.4536 -4.3630 3 852.3021453 89503 3037568 8 7468 7 a-Alanine, conf. II
420822.5012 4.9403 -3.9358 3 295.0068321 89503 303532231 522032 a-Alanine, conf. II
420869.2383 17.8077 -3.3823 3 647.7649447 89503 303744430 734429 a-Alanine, conf. II
420869.2383 17.8077 -3.3823 3 647.7649447 89503 303744431 734430 a-Alanine, conf. II
420869.8558116.1534 -3.0995 3 641.6815549 89503 30391 190 90 189 a-Alanine, conf. II
420869.8558116.1534 -4.1999 3 641.6815549 89503 30391 190 90 289 a-Alanine, conf. II
420869.8558116.1534 -4.1999 3 641.6815549 89503 30391 290 90 189 a-Alanine, conf. II
420869.8558116.1534 -3.0995 3 641.6815549 89503 30391 290 90 289 a-Alanine, conf. II
420908.2477 20.2980 -4.2877 3 842.6370453 89503 3037567 8 7467 7 a-Alanine, conf. II
420908.2477 20.2980 -4.2877 3 842.6370453 89503 3037567 9 7467 8 a-Alanine, conf. II
420959.9720 2.6023 -4.0762 3 242.0686291 89503 303482128 471929 a-Alanine, conf. II
420963.0795 8.1354 -3.0588 3 542.7645435 89503 303722646 712645 a-Alanine, conf. II
420965.3033 38.2214 -3.1252 3 632.5846519 89503 30386 878 85 877 a-Alanine, conf. II
420965.3033 38.2214 -4.2729 3 632.5846519 89503 30386 878 85 977 a-Alanine, conf. II
420965.3033 38.2214 -4.2729 3 632.5846519 89503 30386 978 85 877 a-Alanine, conf. II
420965.3033 38.2214 -3.1252 3 632.5846519 89503 30386 978 85 977 a-Alanine, conf. II
421032.5557 20.1492 -4.2195 3 833.1190453 89503 3037566 9 7466 8 a-Alanine, conf. II
421032.5557 20.1492 -4.2195 3 833.1190453 89503 303756610 7466 9 a-Alanine, conf. II
421163.4406 20.0074 -4.1571 3 823.7482453 89503 303756510 7465 9 a-Alanine, conf. II
421163.4406 20.0074 -4.1571 3 823.7482453 89503 303756511 746510 a-Alanine, conf. II
421182.3540 29.2369 -4.6414 3 432.6809387 89503 303642639 632538 a-Alanine, conf. II
421200.0828 3.1347 -4.5238 3 166.8936225 89503 303372611 362412 a-Alanine, conf. II
421200.0828 3.1347 -4.5238 3 166.8936225 89503 303372612 362413 a-Alanine, conf. II
421255.0635 10.5757 -4.4770 3 582.3719459 89503 303762254 752353 a-Alanine, conf. II
421255.0867 10.5758 -3.1120 3 582.3719459 89503 303762354 752353 a-Alanine, conf. II
421255.1192 10.5758 -3.1120 3 582.3719459 89503 303762254 752253 a-Alanine, conf. II
421255.1424 10.5759 -4.4770 3 582.3719459 89503 303762354 752253 a-Alanine, conf. II
421301.3268 19.8726 -4.0993 3 814.5251453 89503 303756411 746410 a-Alanine, conf. II
421301.3268 19.8726 -4.0993 3 814.5251453 89503 303756412 746411 a-Alanine, conf. II
421375.8383 17.9162 -3.3582 3 641.7649447 89503 303744331 734330 a-Alanine, conf. II
421375.8383 17.9162 -3.3582 3 641.7649447 89503 303744332 734331 a-Alanine, conf. II
421399.0711 3.5497 -4.0841 3 254.2002297 89503 303492227 482028 a-Alanine, conf. II
421402.9907 12.9890 -3.1288 3 603.3016477 89503 303791861 781860 a-Alanine, conf. II
421402.9907 12.9890 -4.3987 3 603.3016477 89503 303791861 781960 a-Alanine, conf. II
421402.9907 12.9890 -4.3987 3 603.3016477 89503 303791961 781860 a-Alanine, conf. II
421402.9907 12.9890 -3.1288 3 603.3016477 89503 303791961 781960 a-Alanine, conf. II
421446.6764 19.7449 -4.0455 3 805.4498453 89503 303756312 746311 a-Alanine, conf. II
421446.6764 19.7449 -4.0455 3 805.4498453 89503 303756313 746312 a-Alanine, conf. II
421448.5902 4.5869 -3.8901 3 296.3347285 89503 303473710 463611 a-Alanine, conf. II
421448.5902 4.5869 -3.8901 3 296.3347285 89503 303473711 463610 a-Alanine, conf. II
421537.4436 22.7450 -3.1324 3 627.4850507 89503 303841173 831172 a-Alanine, conf. II
421537.4436 22.7450 -4.3074 3 627.4850507 89503 303841173 831272 a-Alanine, conf. II
421537.4436 22.7450 -4.3074 3 627.4850507 89503 303841273 831172 a-Alanine, conf. II
421537.4436 22.7450 -3.1324 3 627.4850507 89503 303841273 831272 a-Alanine, conf. II
421580.0202 1.7142 -4.2348 3 203.0379261 89503 303432320 422121 a-Alanine, conf. II
421599.9932 19.6245 -3.9950 3 796.5228453 89503 303756213 746212 a-Alanine, conf. II
421599.9932 19.6245 -3.9950 3 796.5228453 89503 303756214 746213 a-Alanine, conf. II
421601.7776 1.7116 -4.2347 3 203.0371261 89503 303432321 422122 a-Alanine, conf. II
421608.0644 75.6381 -3.1150 3 641.0570537 89503 30389 485 88 484 a-Alanine, conf. II
421608.0644 75.6381 -4.2332 3 641.0570537 89503 30389 485 88 584 a-Alanine, conf. II
421608.0644 75.6381 -4.2332 3 641.0570537 89503 30389 585 88 484 a-Alanine, conf. II
421608.0644 75.6381 -3.1150 3 641.0570537 89503 30389 585 88 584 a-Alanine, conf. II
421668.7300 19.0687 -3.1815 3 586.0491441 89503 303733539 723538 a-Alanine, conf. II
421669.6866 19.0759 -3.1815 3 586.0491441 89503 303733538 723537 a-Alanine, conf. II
421752.1794 20.6874 -3.0994 3 555.9393435 89503 303723142 713141 a-Alanine, conf. II
421761.8278 19.5116 -3.9473 3 787.7443453 89503 303756114 746113 a-Alanine, conf. II
421761.8278 19.5116 -3.9473 3 787.7443453 89503 303756115 746114 a-Alanine, conf. II
421787.3864 2.5407 -4.0125 3 309.4450309 89503 303513219 503120 a-Alanine, conf. II
421787.3864 2.5407 -4.0125 3 309.4450309 89503 303513220 503119 a-Alanine, conf. II
421808.4255 2.1288 -4.1225 3 235.2700285 89503 303472225 462026 a-Alanine, conf. II
421925.4342 7.2217 -3.8186 3 292.6620267 89503 3034441 3 4340 4 a-Alanine, conf. II
421925.4342 7.2217 -3.8186 3 292.6620267 89503 3034441 4 4340 3 a-Alanine, conf. II
421928.4297 18.0558 -3.3349 3 635.9323447 89503 303744232 734231 a-Alanine, conf. II
421928.4297 18.0558 -3.3349 3 635.9323447 89503 303744233 734232 a-Alanine, conf. II
421932.7828 19.4062 -3.9023 3 779.1148453 89503 303756015 746014 a-Alanine, conf. II
421932.7828 19.4062 -3.9023 3 779.1148453 89503 303756016 746015 a-Alanine, conf. II
421994.2154 20.0256 -4.6614 3 528.8267429 89503 303712745 702644 a-Alanine, conf. II
422086.8842 15.7103 -3.1357 3 620.4479495 89503 303821468 811467 a-Alanine, conf. II
422086.8842 15.7103 -4.3444 3 620.4479495 89503 303821468 811567 a-Alanine, conf. II
422086.8842 15.7103 -4.3444 3 620.4479495 89503 303821568 811467 a-Alanine, conf. II
422086.8842 15.7103 -3.1357 3 620.4479495 89503 303821568 811567 a-Alanine, conf. II
422099.5297134.9751 -3.0987 3 646.1237555 89503 30392 092 91 091 a-Alanine, conf. II
422099.5297134.9751 -4.1937 3 646.1237555 89503 30392 092 91 191 a-Alanine, conf. II
422099.5297134.9751 -4.1937 3 646.1237555 89503 30392 192 91 091 a-Alanine, conf. II
422099.5297134.9751 -3.0987 3 646.1237555 89503 30392 192 91 191 a-Alanine, conf. II
422113.5200 19.3086 -3.8594 3 770.6347453 89503 303755916 745915 a-Alanine, conf. II
422113.5200 19.3086 -3.8594 3 770.6347453 89503 303755917 745916 a-Alanine, conf. II
422132.2380 1.6134 -4.1376 3 226.1315279 89503 303462225 452026 a-Alanine, conf. II
422215.2711 10.2362 -4.6474 3 556.8811441 89503 303732647 722746 a-Alanine, conf. II
422265.1998 46.5456 -3.1269 3 638.5195525 89503 30387 780 86 779 a-Alanine, conf. II
422265.1998 46.5456 -4.2664 3 638.5195525 89503 30387 780 86 879 a-Alanine, conf. II
422265.1998 46.5456 -4.2664 3 638.5195525 89503 30387 880 86 779 a-Alanine, conf. II
422265.1998 46.5456 -3.1269 3 638.5195525 89503 30387 880 86 879 a-Alanine, conf. II
422289.0485 2.7498 -4.1050 3 244.5988291 89503 303482226 472027 a-Alanine, conf. II
422295.8603 2.5417 -4.4122 3 177.8868237 89503 303392514 382315 a-Alanine, conf. II
422295.8616 2.5417 -4.4122 3 177.8868237 89503 303392515 382316 a-Alanine, conf. II
422304.7670 19.2191 -3.8186 3 762.3045453 89503 303755817 745816 a-Alanine, conf. II
422304.7670 19.2191 -3.8186 3 762.3045453 89503 303755818 745817 a-Alanine, conf. II
422310.8263 11.4941 -4.4556 3 591.4836465 89503 303772156 762255 a-Alanine, conf. II
422310.8271 11.4941 -3.1208 3 591.4836465 89503 303772256 762255 a-Alanine, conf. II
422310.8283 11.4941 -3.1208 3 591.4836465 89503 303772156 762155 a-Alanine, conf. II
422310.8291 11.4941 -4.4556 3 591.4836465 89503 303772256 762155 a-Alanine, conf. II
422393.5992 10.0285 -3.0642 3 546.1380435 89503 303722845 712844 a-Alanine, conf. II
422487.9873 27.6220 -4.6758 3 514.9802423 89503 303702744 692643 a-Alanine, conf. II
422507.3267 19.1380 -3.7796 3 754.1246453 89503 303755718 745717 a-Alanine, conf. II
422507.3267 19.1380 -3.7796 3 754.1246453 89503 303755719 745718 a-Alanine, conf. II
422533.7843 18.2330 -3.3122 3 630.2699447 89503 303744133 734132 a-Alanine, conf. II
422533.7843 18.2330 -3.3122 3 630.2699447 89503 303744134 734133 a-Alanine, conf. II
422608.1495 2.0513 -4.3178 3 189.9146249 89503 303412417 402218 a-Alanine, conf. II
422608.3857 2.0513 -4.3178 3 189.9145249 89503 303412418 402219 a-Alanine, conf. II
422680.7033 13.6518 -3.1348 3 611.4297483 89503 303801763 791762 a-Alanine, conf. II
422680.7033 13.6518 -4.3864 3 611.4297483 89503 303801763 791862 a-Alanine, conf. II
422680.7033 13.6518 -4.3864 3 611.4297483 89503 303801863 791762 a-Alanine, conf. II
422680.7033 13.6518 -3.1348 3 611.4297483 89503 303801863 791862 a-Alanine, conf. II
422691.5161 4.0206 -3.9132 3 300.1578291 89503 303483612 473513 a-Alanine, conf. II
422691.5161 4.0206 -3.9132 3 300.1578291 89503 303483613 473512 a-Alanine, conf. II
422722.0874 19.0655 -3.7423 3 746.0956453 89503 303755619 745618 a-Alanine, conf. II
422722.0874 19.0655 -3.7423 3 746.0956453 89503 303755620 745619 a-Alanine, conf. II
422727.2712 25.3264 -3.0974 3 555.9719435 89503 303723141 713140 a-Alanine, conf. II
422791.6304 2.4299 -4.0462 3 314.9403315 89503 303523121 513022 a-Alanine, conf. II
422791.6304 2.4299 -4.0462 3 314.9403315 89503 303523122 513021 a-Alanine, conf. II
422818.8158 4.7499 -4.1066 3 237.3473291 89503 303481930 471731 a-Alanine, conf. II
422856.4888 27.5678 -3.1353 3 634.0670513 89503 303851075 841074 a-Alanine, conf. II
422856.4888 27.5678 -4.3002 3 634.0670513 89503 303851075 841174 a-Alanine, conf. II
422856.4888 27.5678 -4.3002 3 634.0670513 89503 303851175 841074 a-Alanine, conf. II
422856.4888 27.5678 -3.1353 3 634.0670513 89503 303851175 841174 a-Alanine, conf. II
422869.5489 89.5916 -3.1152 3 646.1464543 89503 30390 387 89 386 a-Alanine, conf. II
422869.5489 89.5916 -4.2271 3 646.1464543 89503 30390 387 89 486 a-Alanine, conf. II
422869.5489 89.5916 -4.2271 3 646.1464543 89503 30390 487 89 386 a-Alanine, conf. II
422869.5489 89.5916 -3.1152 3 646.1464543 89503 30390 487 89 486 a-Alanine, conf. II
422906.0598 8.6171 -3.0052 3 517.2443423 89503 303702743 692742 a-Alanine, conf. II
422912.5780 0.6524 -4.3842 3 186.3101267 89503 303441232 431033 a-Alanine, conf. II
422914.0013 0.6524 -4.3842 3 186.3101267 89503 303441332 431133 a-Alanine, conf. II
422950.0345 19.0022 -3.7065 3 738.2180453 89503 303755520 745519 a-Alanine, conf. II
422950.0345 19.0022 -3.7065 3 738.2180453 89503 303755521 745520 a-Alanine, conf. II
422992.4546 19.8965 -3.1624 3 581.6818441 89503 303733440 723439 a-Alanine, conf. II
423000.3601 19.9511 -3.1624 3 581.6820441 89503 303733439 723438 a-Alanine, conf. II
423192.2652 18.9486 -3.6720 3 730.4925453 89503 303755421 745420 a-Alanine, conf. II
423192.2652 18.9486 -3.6720 3 730.4925453 89503 303755422 745421 a-Alanine, conf. II
423200.2714 18.4559 -3.2902 3 624.7811447 89503 303744035 734034 a-Alanine, conf. II
423200.2715 18.4559 -3.2902 3 624.7811447 89503 303744034 734033 a-Alanine, conf. II
423204.5257 14.2005 -4.6489 3 542.7645435 89503 303722746 712645 a-Alanine, conf. II
423216.9962 6.4653 -3.8371 3 295.2696273 89503 3034540 5 4439 6 a-Alanine, conf. II
423216.9962 6.4653 -3.8371 3 295.2696273 89503 3034540 6 4439 5 a-Alanine, conf. II
423359.8666 11.1320 -4.0858 3 258.4828303 89503 303501931 491732 a-Alanine, conf. II
423388.9645 8.0948 -3.0776 3 556.8811441 89503 303732747 722746 a-Alanine, conf. II
423390.2406 1.3818 -4.6969 3 158.0547255 89503 30342 834 41 635 a-Alanine, conf. II
423390.2407 1.3818 -4.6969 3 158.0547255 89503 30342 934 41 735 a-Alanine, conf. II
423410.1657 17.6868 -3.1399 3 627.6852501 89503 303831370 821369 a-Alanine, conf. II
423410.1657 17.6868 -4.3359 3 627.6852501 89503 303831370 821469 a-Alanine, conf. II
423410.1657 17.6868 -4.3359 3 627.6852501 89503 303831470 821369 a-Alanine, conf. II
423410.1657 17.6868 -3.1399 3 627.6852501 89503 303831470 821469 a-Alanine, conf. II
423440.9729 2.8865 -4.3161 3 349.0059345 89503 303572632 562531 a-Alanine, conf. II
423450.0055 18.9051 -3.6389 3 722.9199453 89503 303755322 745321 a-Alanine, conf. II
423450.0055 18.9051 -3.6389 3 722.9199453 89503 303755323 745322 a-Alanine, conf. II
423458.7339 12.3517 -4.4377 3 600.3437471 89503 303782058 772157 a-Alanine, conf. II
423458.7339 12.3517 -3.1289 3 600.3437471 89503 303782158 772157 a-Alanine, conf. II
423458.7340 12.3517 -3.1289 3 600.3437471 89503 303782058 772057 a-Alanine, conf. II
423458.7340 12.3517 -4.4377 3 600.3437471 89503 303782158 772057 a-Alanine, conf. II
423473.2415 19.3555 -3.0825 3 552.5009435 89503 303723043 713042 a-Alanine, conf. II
423474.8749 8.6148 -4.5812 3 567.2807447 89503 303742549 732648 a-Alanine, conf. II
423484.7230 27.3397 -3.0106 3 519.2990423 89503 303702842 692841 a-Alanine, conf. II
423499.5200 15.2021 -4.5084 3 343.4874345 89503 303572433 562334 a-Alanine, conf. II
423555.4273 56.3057 -3.1283 3 644.2539531 89503 30388 682 87 681 a-Alanine, conf. II
423555.4273 56.3057 -4.2601 3 644.2539531 89503 30388 682 87 781 a-Alanine, conf. II
423555.4273 56.3057 -4.2601 3 644.2539531 89503 30388 782 87 681 a-Alanine, conf. II
423555.4273 56.3057 -3.1283 3 644.2539531 89503 30388 782 87 781 a-Alanine, conf. II
423564.2854 8.6422 -3.0923 3 567.2807447 89503 303742649 732648 a-Alanine, conf. II
423660.6364 8.6860 -3.0920 3 567.2745447 89503 303742549 732548 a-Alanine, conf. II
423674.9708 2.4658 -4.0837 3 320.8406321 89503 303533024 522923 a-Alanine, conf. II
423674.9731 2.4658 -4.0837 3 320.8406321 89503 303533023 522924 a-Alanine, conf. II
423686.0998 0.7984 -4.5212 3 172.1775261 89503 303431033 42 834 a-Alanine, conf. II
423686.1184 0.7984 -4.5212 3 172.1775261 89503 303431133 42 934 a-Alanine, conf. II
423724.6304 18.8725 -3.6070 3 715.5008453 89503 303755223 745222 a-Alanine, conf. II
423724.6304 18.8725 -3.6070 3 715.5008453 89503 303755224 745223 a-Alanine, conf. II
423750.0468 8.7552 -4.5806 3 567.2745447 89503 303742649 732548 a-Alanine, conf. II
423907.2480 3.5193 -3.9380 3 304.3438297 89503 303493514 483415 a-Alanine, conf. II
423907.2480 3.5193 -3.9380 3 304.3438297 89503 303493515 483414 a-Alanine, conf. II
423938.4289 18.7358 -3.2689 3 619.4698447 89503 303743936 733935 a-Alanine, conf. II
423938.4291 18.7358 -3.2689 3 619.4698447 89503 303743935 733934 a-Alanine, conf. II
423970.8446 15.0155 -3.0700 3 549.2784435 89503 303722944 712943 a-Alanine, conf. II
423979.0149 14.3914 -3.1404 3 619.3407489 89503 303811665 801664 a-Alanine, conf. II
423979.0149 14.3914 -4.3755 3 619.3407489 89503 303811665 801764 a-Alanine, conf. II
423979.0149 14.3914 -4.3755 3 619.3407489 89503 303811765 801664 a-Alanine, conf. II
423979.0149 14.3914 -3.1404 3 619.3407489 89503 303811765 801764 a-Alanine, conf. II
424009.4248 9.4659 -4.5393 3 577.3094453 89503 303752451 742550 a-Alanine, conf. II
424014.6531 9.4716 -3.1051 3 577.3094453 89503 303752551 742550 a-Alanine, conf. II
424017.6887 18.8518 -3.5762 3 708.2361453 89503 303755124 745123 a-Alanine, conf. II
424017.6887 18.8518 -3.5762 3 708.2361453 89503 303755125 745124 a-Alanine, conf. II
424020.9698 9.4777 -3.1050 3 577.3090453 89503 303752451 742450 a-Alanine, conf. II
424026.1981 9.4835 -4.5393 3 577.3090453 89503 303752551 742450 a-Alanine, conf. II
424119.3879105.3330 -3.1152 3 651.0343549 89503 30391 289 90 288 a-Alanine, conf. II
424119.3879105.3330 -4.2211 3 651.0343549 89503 30391 289 90 388 a-Alanine, conf. II
424119.3879105.3330 -4.2211 3 651.0343549 89503 30391 389 90 288 a-Alanine, conf. II
424119.3879105.3330 -3.1152 3 651.0343549 89503 30391 389 90 388 a-Alanine, conf. II
424145.1792 2.5212 -4.2279 3 211.6456279 89503 303461531 451332 a-Alanine, conf. II
424169.1856 33.6435 -3.1378 3 640.4473519 89503 30386 977 85 976 a-Alanine, conf. II
424169.1856 33.6435 -4.2934 3 640.4473519 89503 30386 977 851076 a-Alanine, conf. II
424169.1856 33.6435 -4.2934 3 640.4473519 89503 303861077 85 976 a-Alanine, conf. II
424169.1856 33.6435 -3.1378 3 640.4473519 89503 303861077 851076 a-Alanine, conf. II
424330.9334 18.8437 -3.5465 3 701.1269453 89503 303755025 745024 a-Alanine, conf. II
424330.9334 18.8437 -3.5465 3 701.1269453 89503 303755026 745025 a-Alanine, conf. II
424382.6558 2.6345 -4.1263 3 327.1638327 89503 303542926 532825 a-Alanine, conf. II
424382.7516 2.6346 -4.1263 3 327.1638327 89503 303542925 532826 a-Alanine, conf. II
424385.7504 2.4561 -4.2275 3 211.6458279 89503 303461631 451432 a-Alanine, conf. II
424456.7174 8.3163 -3.0751 3 556.8063441 89503 303732647 722646 a-Alanine, conf. II
424499.8509 5.7536 -3.8567 3 298.2262279 89503 3034639 7 4538 8 a-Alanine, conf. II
424499.8509 5.7536 -3.8567 3 298.2262279 89503 3034639 8 4538 7 a-Alanine, conf. II
424559.8323 20.9600 -3.1435 3 577.5402441 89503 303733341 723340 a-Alanine, conf. II
424606.2454 4.0557 -4.3141 3 348.9766345 89503 303572631 562532 a-Alanine, conf. II
424617.1744 21.3190 -3.1433 3 577.5417441 89503 303733340 723339 a-Alanine, conf. II
424666.3586 18.8497 -3.5178 3 694.1740453 89503 303754926 744925 a-Alanine, conf. II
424666.3586 18.8497 -3.5178 3 694.1740453 89503 303754927 744926 a-Alanine, conf. II
424668.6223 13.1271 -3.1362 3 608.9654477 89503 303791960 781959 a-Alanine, conf. II
424668.6223 13.1271 -4.4224 3 608.9654477 89503 303791960 782059 a-Alanine, conf. II
424668.6223 13.1271 -4.4224 3 608.9654477 89503 303792060 781959 a-Alanine, conf. II
424668.6223 13.1271 -3.1362 3 608.9654477 89503 303792060 782059 a-Alanine, conf. II
424733.4788 20.5646 -3.1437 3 634.7174507 89503 303841272 831271 a-Alanine, conf. II
424733.4788 20.5646 -4.3281 3 634.7174507 89503 303841272 831371 a-Alanine, conf. II
424733.4788 20.5646 -4.3281 3 634.7174507 89503 303841372 831271 a-Alanine, conf. II
424733.4788 20.5646 -3.1437 3 634.7174507 89503 303841372 831371 a-Alanine, conf. II
424761.8256 19.0885 -3.2481 3 614.3409447 89503 303743837 733836 a-Alanine, conf. II
424761.8280 19.0886 -3.2481 3 614.3409447 89503 303743836 733835 a-Alanine, conf. II
424769.2829 10.4043 -4.5083 3 587.0114459 89503 303762353 752452 a-Alanine, conf. II
424769.5291 10.4047 -3.1162 3 587.0114459 89503 303762453 752452 a-Alanine, conf. II
424769.8542 10.4052 -3.1162 3 587.0114459 89503 303762353 752352 a-Alanine, conf. II
424770.1004 10.4056 -4.5083 3 587.0114459 89503 303762453 752352 a-Alanine, conf. II
424795.9720 3.1645 -4.2361 3 341.1907339 89503 303562730 552629 a-Alanine, conf. II
424822.5446 2.8985 -4.1759 3 333.9346333 89503 303552828 542727 a-Alanine, conf. II
424825.5517 2.9019 -4.1759 3 333.9345333 89503 303552827 542728 a-Alanine, conf. II
424835.2784 67.5925 -3.1294 3 649.7876537 89503 30389 584 88 583 a-Alanine, conf. II
424835.2784 67.5925 -4.2541 3 649.7876537 89503 30389 584 88 683 a-Alanine, conf. II
424835.2784 67.5925 -4.2541 3 649.7876537 89503 30389 684 88 583 a-Alanine, conf. II
424835.2784 67.5925 -3.1294 3 649.7876537 89503 30389 684 88 683 a-Alanine, conf. II
424865.9595 3.2441 -4.2360 3 341.1888339 89503 303562729 552630 a-Alanine, conf. II
424929.4551 8.7307 -3.7921 3 296.3627261 89503 3034343 0 4242 1 a-Alanine, conf. II
424929.4551 8.7307 -3.7921 3 296.3627261 89503 3034343 1 4242 0 a-Alanine, conf. II
424940.9595 3.7200 -4.6112 3 163.5193219 89503 3033627 9 352510 a-Alanine, conf. II
424940.9595 3.7200 -4.6112 3 163.5193219 89503 303362710 352511 a-Alanine, conf. II
425011.2512 34.9119 -4.6888 3 501.2203417 89503 303692743 682642 a-Alanine, conf. II
425026.2459 18.8711 -3.4901 3 687.3788453 89503 303754827 744826 a-Alanine, conf. II
425026.2459 18.8711 -3.4901 3 687.3788453 89503 303754828 744827 a-Alanine, conf. II
425084.8737 20.7203 -4.6123 3 329.9350339 89503 303562333 552234 a-Alanine, conf. II
425086.0143 3.0990 -3.9647 3 308.8986303 89503 303503416 493317 a-Alanine, conf. II
425086.0143 3.0990 -3.9647 3 308.8986303 89503 303503417 493316 a-Alanine, conf. II
425290.2245 15.3747 -3.1455 3 627.0387495 89503 303821567 811566 a-Alanine, conf. II
425290.2245 15.3747 -4.3658 3 627.0387495 89503 303821567 811666 a-Alanine, conf. II
425290.2245 15.3747 -4.3658 3 627.0387495 89503 303821667 811566 a-Alanine, conf. II
425290.2245 15.3747 -3.1455 3 627.0387495 89503 303821667 811666 a-Alanine, conf. II
425357.3944122.9829 -3.1149 3 655.7202555 89503 30392 191 91 190 a-Alanine, conf. II
425357.3944122.9829 -4.2152 3 655.7202555 89503 30392 191 91 290 a-Alanine, conf. II
425357.3944122.9829 -4.2152 3 655.7202555 89503 30392 291 91 190 a-Alanine, conf. II
425357.3944122.9829 -3.1149 3 655.7202555 89503 30392 291 91 290 a-Alanine, conf. II
425413.2222 18.9098 -3.4632 3 680.7426453 89503 303754728 744727 a-Alanine, conf. II
425413.2222 18.9098 -3.4632 3 680.7426453 89503 303754729 744728 a-Alanine, conf. II
425474.1248 41.0489 -3.1401 3 646.6265525 89503 30387 879 86 878 a-Alanine, conf. II
425474.1248 41.0489 -4.2870 3 646.6265525 89503 30387 879 86 978 a-Alanine, conf. II
425474.1248 41.0489 -4.2870 3 646.6265525 89503 30387 979 86 878 a-Alanine, conf. II
425474.1248 41.0489 -3.1401 3 646.6265525 89503 30387 979 86 978 a-Alanine, conf. II
425630.4107 10.8977 -4.6394 3 556.8063441 89503 303732747 722646 a-Alanine, conf. II
425688.4193 19.5370 -3.2278 3 609.4001447 89503 303743738 733737 a-Alanine, conf. II
425688.4456 19.5373 -3.2278 3 609.4001447 89503 303743737 733736 a-Alanine, conf. II
425721.7750 11.3774 -4.4839 3 596.4235465 89503 303772255 762354 a-Alanine, conf. II
425721.7846 11.3774 -3.1261 3 596.4235465 89503 303772355 762354 a-Alanine, conf. II
425721.7983 11.3774 -3.1261 3 596.4235465 89503 303772255 762254 a-Alanine, conf. II
425721.8078 11.3774 -4.4839 3 596.4235465 89503 303772355 762254 a-Alanine, conf. II
425770.5804 5.0896 -3.8775 3 301.5350285 89503 3034738 9 463710 a-Alanine, conf. II
425770.5804 5.0896 -3.8775 3 301.5350285 89503 303473810 4637 9 a-Alanine, conf. II
425817.6206 1.7199 -4.2109 3 211.3503267 89503 303442321 432122 a-Alanine, conf. II
425830.3339 18.9680 -3.4372 3 674.2668453 89503 303754629 744628 a-Alanine, conf. II
425830.3339 18.9680 -3.4372 3 674.2668453 89503 303754630 744629 a-Alanine, conf. II
425844.3794 1.7008 -4.1176 3 235.1277285 89503 303472226 462027 a-Alanine, conf. II
425872.9700 1.7139 -4.2108 3 211.3484267 89503 303442322 432123 a-Alanine, conf. II
425882.2264 35.1898 -3.0414 3 535.7383429 89503 303712942 702941 a-Alanine, conf. II
425920.6362 13.8332 -3.1430 3 617.3581483 89503 303801862 791861 a-Alanine, conf. II
425920.6362 13.8332 -4.4093 3 617.3581483 89503 303801862 791961 a-Alanine, conf. II
425920.6362 13.8332 -4.4093 3 617.3581483 89503 303801962 791861 a-Alanine, conf. II
425920.6362 13.8332 -3.1430 3 617.3581483 89503 303801962 791961 a-Alanine, conf. II
426054.0645 24.5275 -3.1471 3 641.5460513 89503 303851174 841173 a-Alanine, conf. II
426054.0645 24.5275 -4.3208 3 641.5460513 89503 303851174 841273 a-Alanine, conf. II
426054.0645 24.5275 -4.3208 3 641.5460513 89503 303851274 841173 a-Alanine, conf. II
426054.0645 24.5275 -3.1471 3 641.5460513 89503 303851274 841273 a-Alanine, conf. II
426100.3568 22.1191 -4.5836 3 896.2021459 89503 3037671 5 7571 4 a-Alanine, conf. II
426100.3568 22.1191 -4.5836 3 896.2021459 89503 3037671 6 7571 5 a-Alanine, conf. II
426104.2176 80.5060 -3.1302 3 655.1204543 89503 30390 486 89 485 a-Alanine, conf. II
426104.2176 80.5060 -4.2481 3 655.1204543 89503 30390 486 89 585 a-Alanine, conf. II
426104.2176 80.5060 -4.2481 3 655.1204543 89503 30390 586 89 485 a-Alanine, conf. II
426104.2176 80.5060 -3.1302 3 655.1204543 89503 30390 586 89 585 a-Alanine, conf. II
426206.3645 21.9481 -4.4862 3 886.1009459 89503 3037670 6 7570 5 a-Alanine, conf. II
426206.3645 21.9481 -4.4862 3 886.1009459 89503 3037670 7 7570 6 a-Alanine, conf. II
426214.4143 2.7820 -3.9937 3 313.8292309 89503 303513318 503219 a-Alanine, conf. II
426214.4143 2.7820 -3.9937 3 313.8292309 89503 303513319 503218 a-Alanine, conf. II
426228.9527 7.8881 -3.8090 3 298.4731267 89503 3034442 2 4341 3 a-Alanine, conf. II
426228.9527 7.8881 -3.8090 3 298.4731267 89503 3034442 3 4341 2 a-Alanine, conf. II
426281.1422 19.0485 -3.4120 3 667.9531453 89503 303754530 744529 a-Alanine, conf. II
426281.1422 19.0485 -3.4120 3 667.9531453 89503 303754531 744530 a-Alanine, conf. II
426301.8593 6.9228 -3.0246 3 531.3509429 89503 303712744 702743 a-Alanine, conf. II
426317.7665 21.7839 -4.4012 3 876.1462459 89503 3037669 7 7569 6 a-Alanine, conf. II
426317.7665 21.7839 -4.4012 3 876.1462459 89503 3037669 8 7569 7 a-Alanine, conf. II
426402.1742 22.0508 -3.1247 3 573.6428441 89503 303733242 723241 a-Alanine, conf. II
426409.9657 3.0547 -4.4836 3 173.9200231 89503 303382612 372413 a-Alanine, conf. II
426409.9657 3.0547 -4.4836 3 173.9200231 89503 303382613 372414 a-Alanine, conf. II
426434.8845 21.6266 -4.3256 3 866.3381459 89503 3037668 8 7568 7 a-Alanine, conf. II
426434.8845 21.6266 -4.3256 3 866.3381459 89503 3037668 9 7568 8 a-Alanine, conf. II
426476.8233 24.2924 -4.6023 3 419.9348381 89503 303632638 622537 a-Alanine, conf. II
426558.0660 21.4763 -4.2571 3 856.6770459 89503 3037667 9 7567 8 a-Alanine, conf. II
426558.0660 21.4763 -4.2571 3 856.6770459 89503 303766710 7567 9 a-Alanine, conf. II
426583.4773142.6687 -3.1143 3 660.2034561 89503 30393 093 92 092 a-Alanine, conf. II
426583.4773142.6687 -4.2092 3 660.2034561 89503 30393 093 92 192 a-Alanine, conf. II
426583.4773142.6687 -4.2092 3 660.2034561 89503 30393 193 92 092 a-Alanine, conf. II
426583.4773142.6687 -3.1143 3 660.2034561 89503 30393 193 92 192 a-Alanine, conf. II
426608.5950 16.8282 -3.1503 3 634.5272501 89503 303831469 821468 a-Alanine, conf. II
426608.5950 16.8282 -4.3570 3 634.5272501 89503 303831469 821568 a-Alanine, conf. II
426608.5950 16.8282 -4.3570 3 634.5272501 89503 303831569 821468 a-Alanine, conf. II
426608.5950 16.8282 -3.1503 3 634.5272501 89503 303831569 821568 a-Alanine, conf. II
426687.6878 21.3330 -4.1943 3 847.1631459 89503 303766610 7566 9 a-Alanine, conf. II
426687.6878 21.3330 -4.1943 3 847.1631459 89503 303766611 756610 a-Alanine, conf. II
426742.7625 20.1154 -3.2081 3 604.6548447 89503 303743639 733638 a-Alanine, conf. II
426743.0209 20.1176 -3.2081 3 604.6548447 89503 303743638 733637 a-Alanine, conf. II
426758.6351 24.0396 -3.1240 3 573.6538441 89503 303733241 723240 a-Alanine, conf. II
426769.8486 19.1548 -3.3876 3 661.8036453 89503 303754431 744430 a-Alanine, conf. II
426769.8486 19.1548 -3.3876 3 661.8036453 89503 303754432 744431 a-Alanine, conf. II
426770.1992 49.8606 -3.1420 3 652.6048531 89503 30388 781 87 780 a-Alanine, conf. II
426770.1992 49.8606 -4.2808 3 652.6048531 89503 30388 781 87 880 a-Alanine, conf. II
426770.1992 49.8606 -4.2808 3 652.6048531 89503 30388 881 87 780 a-Alanine, conf. II
426770.1992 49.8606 -3.1420 3 652.6048531 89503 30388 881 87 880 a-Alanine, conf. II
426800.1467 12.3242 -4.4639 3 605.5703471 89503 303782157 772256 a-Alanine, conf. II
426800.1470 12.3242 -3.1350 3 605.5703471 89503 303782257 772256 a-Alanine, conf. II
426800.1475 12.3242 -3.1350 3 605.5703471 89503 303782157 772156 a-Alanine, conf. II
426800.1478 12.3242 -4.4639 3 605.5703471 89503 303782257 772156 a-Alanine, conf. II
426824.1584 21.1968 -4.1362 3 837.7967459 89503 303766511 756510 a-Alanine, conf. II
426824.1584 21.1968 -4.1362 3 837.7967459 89503 303766512 756511 a-Alanine, conf. II
426967.9219 21.0678 -4.0820 3 828.5782459 89503 303766412 756411 a-Alanine, conf. II
426967.9219 21.0678 -4.0820 3 828.5782459 89503 303766413 756412 a-Alanine, conf. II
426993.3381 3.6697 -4.1879 3 223.0762285 89503 303471631 461432 a-Alanine, conf. II
427024.6724 4.4780 -3.8997 3 305.1994291 89503 303483711 473612 a-Alanine, conf. II
427024.6724 4.4780 -3.8997 3 305.1994291 89503 303483712 473611 a-Alanine, conf. II
427064.5843 9.2528 -4.6368 3 571.0038447 89503 303742648 732747 a-Alanine, conf. II
427119.4619 20.9462 -4.0312 3 819.5077459 89503 303766313 756312 a-Alanine, conf. II
427119.4619 20.9462 -4.0312 3 819.5077459 89503 303766314 756313 a-Alanine, conf. II
427134.8921 9.4562 -3.0775 3 560.2275441 89503 303732846 722845 a-Alanine, conf. II
427201.0983 14.5277 -3.1492 3 625.5288489 89503 303811764 801763 a-Alanine, conf. II
427201.0983 14.5277 -4.3977 3 625.5288489 89503 303811764 801863 a-Alanine, conf. II
427201.0983 14.5277 -4.3977 3 625.5288489 89503 303811864 801763 a-Alanine, conf. II
427201.0983 14.5277 -3.1492 3 625.5288489 89503 303811864 801863 a-Alanine, conf. II
427273.6995 2.5942 -4.0253 3 319.1447315 89503 303523220 513121 a-Alanine, conf. II
427273.6995 2.5942 -4.0253 3 319.1447315 89503 303523221 513120 a-Alanine, conf. II
427279.3057 20.8320 -3.9832 3 810.5858459 89503 303766214 756213 a-Alanine, conf. II
427279.3057 20.8320 -3.9832 3 810.5858459 89503 303766215 756214 a-Alanine, conf. II
427301.4615 19.2912 -3.3639 3 655.8205453 89503 303754332 744331 a-Alanine, conf. II
427301.4615 19.2912 -3.3639 3 655.8205453 89503 303754333 744332 a-Alanine, conf. II
427323.8742 2.4733 -4.3793 3 185.3258243 89503 303402515 392316 a-Alanine, conf. II
427323.8789 2.4733 -4.3793 3 185.3258243 89503 303402516 392317 a-Alanine, conf. II
427338.5843 3.5370 -4.0672 3 251.4510297 89503 303492129 481930 a-Alanine, conf. II
427352.2206 2.0086 -4.2901 3 197.7794255 89503 303422418 412219 a-Alanine, conf. II
427352.9339 2.0085 -4.2901 3 197.7794255 89503 303422419 412220 a-Alanine, conf. II
427361.8545 95.1545 -3.1307 3 660.2518549 89503 30391 388 90 387 a-Alanine, conf. II
427361.8545 95.1545 -4.2423 3 660.2518549 89503 30391 388 90 487 a-Alanine, conf. II
427361.8545 95.1545 -4.2423 3 660.2518549 89503 30391 488 90 387 a-Alanine, conf. II
427361.8545 95.1545 -3.1307 3 660.2518549 89503 30391 488 90 487 a-Alanine, conf. II
427369.7648 29.7029 -3.1502 3 648.1719519 89503 303861076 851075 a-Alanine, conf. II
427369.7648 29.7029 -4.3140 3 648.1719519 89503 303861076 851175 a-Alanine, conf. II
427369.7648 29.7029 -4.3140 3 648.1719519 89503 303861176 851075 a-Alanine, conf. II
427369.7648 29.7029 -3.1502 3 648.1719519 89503 303861176 851175 a-Alanine, conf. II
427375.5552 2.7631 -4.3502 3 360.1709351 89503 303582633 572532 a-Alanine, conf. II
427448.0302 20.7256 -3.9378 3 801.8128459 89503 303766115 756114 a-Alanine, conf. II
427448.0302 20.7256 -3.9378 3 801.8128459 89503 303766116 756115 a-Alanine, conf. II
427496.8334 7.9449 -4.1217 3 246.5097297 89503 303491831 481632 a-Alanine, conf. II
427523.4064 7.0893 -3.8268 3 300.9288273 89503 3034541 4 4440 5 a-Alanine, conf. II
427523.4064 7.0893 -3.8268 3 300.9288273 89503 3034541 5 4440 4 a-Alanine, conf. II
427587.0682 34.5520 -3.0734 3 552.6727435 89503 303723042 713041 a-Alanine, conf. II
427602.6299 9.9797 -4.4333 3 357.3181351 89503 303582533 572434 a-Alanine, conf. II
427626.2671 20.6271 -3.8947 3 793.1890459 89503 303766016 756015 a-Alanine, conf. II
427626.2671 20.6271 -3.8947 3 793.1890459 89503 303766017 756016 a-Alanine, conf. II
427641.3191 1.0830 -4.3289 3 197.3810273 89503 303451332 441133 a-Alanine, conf. II
427647.9517 1.0821 -4.3289 3 197.3810273 89503 303451432 441233 a-Alanine, conf. II
427663.4456 8.6136 -3.0924 3 571.0038447 89503 303742748 732747 a-Alanine, conf. II
427750.6404 5.0294 -4.0799 3 249.0793297 89503 303492030 481831 a-Alanine, conf. II
427809.5355 3.4033 -4.1865 3 223.0771285 89503 303471731 461532 a-Alanine, conf. II
427814.7103 20.5367 -3.8535 3 784.7149459 89503 303765917 755916 a-Alanine, conf. II
427814.7103 20.5367 -3.8535 3 784.7149459 89503 303765918 755917 a-Alanine, conf. II
427821.9003 9.2990 -4.5806 3 581.4093453 89503 303752550 742649 a-Alanine, conf. II
427864.2203 9.3239 -3.1069 3 581.4093453 89503 303752650 742649 a-Alanine, conf. II
427882.0246 19.4636 -3.3409 3 650.0063453 89503 303754233 744232 a-Alanine, conf. II
427882.0246 19.4636 -3.3409 3 650.0063453 89503 303754234 744233 a-Alanine, conf. II
427911.3108 9.3524 -3.1068 3 581.4063453 89503 303752550 742549 a-Alanine, conf. II
427929.7737 19.0072 -3.1546 3 641.8087507 89503 303841371 831370 a-Alanine, conf. II
427929.7737 19.0072 -4.3490 3 641.8087507 89503 303841371 831470 a-Alanine, conf. II
427929.7737 19.0072 -4.3490 3 641.8087507 89503 303841471 831370 a-Alanine, conf. II
427929.7737 19.0072 -3.1546 3 641.8087507 89503 303841471 831470 a-Alanine, conf. II
427953.6308 9.3877 -4.5803 3 581.4063453 89503 303752650 742549 a-Alanine, conf. II
427959.4817 20.8744 -3.1888 3 600.1144447 89503 303743540 733539 a-Alanine, conf. II
427961.7612 20.8922 -3.1887 3 600.1145447 89503 303743539 733538 a-Alanine, conf. II
427961.9417 13.2008 -4.4471 3 614.4688477 89503 303792059 782158 a-Alanine, conf. II
427961.9417 13.2008 -3.1432 3 614.4688477 89503 303792159 782158 a-Alanine, conf. II
427961.9418 13.2008 -3.1432 3 614.4688477 89503 303792059 782058 a-Alanine, conf. II
427961.9418 13.2008 -4.4471 3 614.4688477 89503 303792159 782058 a-Alanine, conf. II
428014.1240 20.4548 -3.8142 3 776.3911459 89503 303765818 755817 a-Alanine, conf. II
428014.1240 20.4548 -3.8142 3 776.3911459 89503 303765819 755818 a-Alanine, conf. II
428056.5455 60.1628 -3.1436 3 658.3822537 89503 30389 683 88 682 a-Alanine, conf. II
428056.5455 60.1628 -4.2749 3 658.3822537 89503 30389 683 88 782 a-Alanine, conf. II
428056.5455 60.1628 -4.2749 3 658.3822537 89503 30389 783 88 682 a-Alanine, conf. II
428056.5455 60.1628 -3.1436 3 658.3822537 89503 30389 783 88 782 a-Alanine, conf. II
428225.3516 20.3817 -3.7765 3 768.2179459 89503 303765719 755718 a-Alanine, conf. II
428225.3516 20.3817 -3.7765 3 768.2179459 89503 303765720 755719 a-Alanine, conf. II
428236.9149 2.5545 -4.0601 3 324.8563321 89503 303533123 523022 a-Alanine, conf. II
428236.9151 2.5545 -4.0601 3 324.8563321 89503 303533122 523023 a-Alanine, conf. II
428238.2776 8.7479 -3.0910 3 570.9647447 89503 303742648 732647 a-Alanine, conf. II
428256.1393 3.9273 -3.9234 3 309.2238297 89503 303493613 483514 a-Alanine, conf. II
428256.1393 3.9273 -3.9234 3 309.2238297 89503 303493614 483513 a-Alanine, conf. II
428359.7540 22.1480 -3.1067 3 570.0075441 89503 303733143 723142 a-Alanine, conf. II
428395.8444 10.2164 -4.5428 3 591.4530459 89503 303762452 752551 a-Alanine, conf. II
428398.1821 10.2194 -3.1195 3 591.4530459 89503 303762552 752551 a-Alanine, conf. II
428401.0726 10.2227 -3.1195 3 591.4529459 89503 303762452 752451 a-Alanine, conf. II
428402.6077 11.0071 -3.9390 3 305.6272327 89503 303542232 532033 a-Alanine, conf. II
428403.4104 10.2258 -4.5428 3 591.4529459 89503 303762552 752451 a-Alanine, conf. II
428444.2379 5.3651 -4.1528 3 234.7013291 89503 303481731 471532 a-Alanine, conf. II
428449.3270 20.3177 -3.7403 3 760.1961459 89503 303765620 755619 a-Alanine, conf. II
428449.3270 20.3177 -3.7403 3 760.1961459 89503 303765621 755620 a-Alanine, conf. II
428500.2497 15.3263 -3.1550 3 633.4831495 89503 303821666 811665 a-Alanine, conf. II
428500.2497 15.3263 -4.3875 3 633.4831495 89503 303821666 811765 a-Alanine, conf. II
428500.2497 15.3263 -4.3875 3 633.4831495 89503 303821766 811665 a-Alanine, conf. II
428500.2497 15.3263 -3.1550 3 633.4831495 89503 303821766 811765 a-Alanine, conf. II
428518.9335 19.6794 -3.3186 3 644.3641453 89503 303754134 744133 a-Alanine, conf. II
428518.9335 19.6794 -3.3186 3 644.3641453 89503 303754135 744134 a-Alanine, conf. II
428607.9222111.6543 -3.1309 3 665.1814555 89503 30392 290 91 289 a-Alanine, conf. II
428607.9222111.6543 -4.2366 3 665.1814555 89503 30392 290 91 389 a-Alanine, conf. II
428607.9222111.6543 -4.2366 3 665.1814555 89503 30392 390 91 289 a-Alanine, conf. II
428607.9222111.6543 -3.1309 3 665.1814555 89503 30392 390 91 389 a-Alanine, conf. II
428678.8840 36.1819 -3.1530 3 654.5961525 89503 30387 978 86 977 a-Alanine, conf. II
428678.8840 36.1819 -4.3077 3 654.5961525 89503 30387 978 861077 a-Alanine, conf. II
428678.8840 36.1819 -4.3077 3 654.5961525 89503 303871078 86 977 a-Alanine, conf. II
428678.8840 36.1819 -3.1530 3 654.5961525 89503 303871078 861077 a-Alanine, conf. II
428687.0878 20.2635 -3.7056 3 752.3261459 89503 303765521 755520 a-Alanine, conf. II
428687.0878 20.2635 -3.7056 3 752.3261459 89503 303765522 755521 a-Alanine, conf. II
428732.8949 15.5802 -3.9970 3 293.0416321 89503 303532132 521933 a-Alanine, conf. II
428810.6205 6.3352 -3.8457 3 303.7321279 89503 3034640 6 4539 7 a-Alanine, conf. II
428810.6205 6.3352 -3.8457 3 303.7321279 89503 3034640 7 4539 6 a-Alanine, conf. II
428837.1390 9.6975 -4.6327 3 570.9647447 89503 303742748 732647 a-Alanine, conf. II
428939.7902 20.2196 -3.6721 3 744.6087459 89503 303765422 755421 a-Alanine, conf. II
428939.7902 20.2196 -3.6721 3 744.6087459 89503 303765423 755422 a-Alanine, conf. II
428968.5067 8.9779 -3.0456 3 545.5708435 89503 303722745 712744 a-Alanine, conf. II
429023.9734 0.6139 -4.4513 3 183.0703267 89503 303441133 43 934 a-Alanine, conf. II
429024.0812 0.6139 -4.4513 3 183.0703267 89503 303441233 431034 a-Alanine, conf. II
429063.8293 2.6620 -4.0992 3 330.9787327 89503 303543025 532924 a-Alanine, conf. II
429063.8365 2.6620 -4.0992 3 330.9787327 89503 303543024 532925 a-Alanine, conf. II
429155.6298 1.1980 -4.6051 3 168.7552261 89503 30343 934 42 735 a-Alanine, conf. II
429155.6308 1.1980 -4.6051 3 168.7552261 89503 303431034 42 835 a-Alanine, conf. II
429180.2149 13.9917 -3.1507 3 623.1308483 89503 303801961 791960 a-Alanine, conf. II
429180.2149 13.9917 -4.4329 3 623.1308483 89503 303801961 792060 a-Alanine, conf. II
429180.2149 13.9917 -4.4329 3 623.1308483 89503 303802061 791960 a-Alanine, conf. II
429180.2149 13.9917 -3.1507 3 623.1308483 89503 303802061 792060 a-Alanine, conf. II
429207.6835 11.2079 -4.5143 3 601.1802465 89503 303772354 762453 a-Alanine, conf. II
429207.7885 11.2081 -3.1306 3 601.1802465 89503 303772454 762453 a-Alanine, conf. II
429207.9297 11.2084 -3.1306 3 601.1802465 89503 303772354 762353 a-Alanine, conf. II
429208.0347 11.2085 -4.5143 3 601.1802465 89503 303772454 762353 a-Alanine, conf. II
429208.7277 20.1866 -3.6399 3 737.0446459 89503 303765323 755322 a-Alanine, conf. II
429208.7277 20.1866 -3.6399 3 737.0446459 89503 303765324 755323 a-Alanine, conf. II
429221.3908 19.9488 -3.2970 3 638.8975453 89503 303754036 744035 a-Alanine, conf. II
429221.3909 19.9488 -3.2970 3 638.8975453 89503 303754035 744034 a-Alanine, conf. II
429250.4106 22.1469 -3.1586 3 648.8850513 89503 303851273 841272 a-Alanine, conf. II
429250.4106 22.1469 -4.3416 3 648.8850513 89503 303851273 841372 a-Alanine, conf. II
429250.4106 22.1469 -4.3416 3 648.8850513 89503 303851373 841272 a-Alanine, conf. II
429250.4106 22.1469 -3.1586 3 648.8850513 89503 303851373 841372 a-Alanine, conf. II
429332.5000 72.0485 -3.1449 3 663.9586543 89503 30390 585 89 584 a-Alanine, conf. II
429332.5000 72.0485 -4.2692 3 663.9586543 89503 30390 585 89 684 a-Alanine, conf. II
429332.5000 72.0485 -4.2692 3 663.9586543 89503 30390 685 89 584 a-Alanine, conf. II
429332.5000 72.0485 -3.1449 3 663.9586543 89503 30390 685 89 684 a-Alanine, conf. II
429387.0070 21.8747 -3.1697 3 595.7913447 89503 303743441 733440 a-Alanine, conf. II
429404.8319 22.0016 -3.1697 3 595.7918447 89503 303743440 733439 a-Alanine, conf. II
429456.9705 3.4508 -3.9489 3 313.6133303 89503 303503515 493416 a-Alanine, conf. II
429456.9705 3.4508 -3.9489 3 313.6133303 89503 303503516 493415 a-Alanine, conf. II
429495.3532 20.1654 -3.6088 3 729.6347459 89503 303765224 755223 a-Alanine, conf. II
429495.3532 20.1654 -3.6088 3 729.6347459 89503 303765225 755224 a-Alanine, conf. II
429504.4537 13.9448 -3.0810 3 563.4205441 89503 303732945 722944 a-Alanine, conf. II
429691.0310 2.8918 -4.1437 3 337.5314333 89503 303552927 542826 a-Alanine, conf. II
429691.3052 2.8921 -4.1437 3 337.5314333 89503 303552926 542827 a-Alanine, conf. II
429718.4872 1.8734 -4.0991 3 244.3336291 89503 303482227 472028 a-Alanine, conf. II
429733.7745 3.4159 -4.2606 3 352.0559345 89503 303572731 562630 a-Alanine, conf. II
429758.2546 19.4206 -3.0911 3 566.6265441 89503 303733044 723043 a-Alanine, conf. II
429801.3058 20.1570 -3.5787 3 722.3798459 89503 303765125 755124 a-Alanine, conf. II
429801.3058 20.1570 -3.5787 3 722.3798459 89503 303765126 755125 a-Alanine, conf. II
429810.9336 16.4108 -3.1603 3 641.2249501 89503 303831568 821567 a-Alanine, conf. II
429810.9336 16.4108 -4.3784 3 641.2249501 89503 303831568 821667 a-Alanine, conf. II
429810.9336 16.4108 -4.3784 3 641.2249501 89503 303831668 821567 a-Alanine, conf. II
429810.9336 16.4108 -3.1603 3 641.2249501 89503 303831668 821667 a-Alanine, conf. II
429815.7676 5.0792 -4.3463 3 360.1103351 89503 303582632 572533 a-Alanine, conf. II
429842.2612130.1287 -3.1308 3 669.9086561 89503 30393 192 92 191 a-Alanine, conf. II
429842.2612130.1287 -4.2309 3 669.9086561 89503 30393 192 92 291 a-Alanine, conf. II
429842.2612130.1287 -4.2309 3 669.9086561 89503 30393 292 92 191 a-Alanine, conf. II
429842.2612130.1287 -3.1308 3 669.9086561 89503 30393 292 92 291 a-Alanine, conf. II
429850.4861 1.7445 -4.1885 3 219.8761273 89503 303452322 442123 a-Alanine, conf. II
429898.4076 3.6146 -4.2603 3 352.0517345 89503 303572730 562631 a-Alanine, conf. II
429980.0875 44.0419 -3.1554 3 660.8188531 89503 30388 880 87 879 a-Alanine, conf. II
429980.0875 44.0419 -4.3016 3 660.8188531 89503 30388 880 87 979 a-Alanine, conf. II
429980.0875 44.0419 -4.3016 3 660.8188531 89503 30388 980 87 879 a-Alanine, conf. II
429980.0875 44.0419 -3.1554 3 660.8188531 89503 30388 980 87 979 a-Alanine, conf. II
429985.4004 1.7316 -4.1883 3 219.8715273 89503 303452323 442124 a-Alanine, conf. II
430001.0783 20.2855 -3.2759 3 633.6109453 89503 303753937 743936 a-Alanine, conf. II
430001.0789 20.2855 -3.2759 3 633.6109453 89503 303753936 743935 a-Alanine, conf. II
430007.3616 3.1956 -4.1959 3 344.5425339 89503 303562829 552728 a-Alanine, conf. II
430015.1823 3.2054 -4.1959 3 344.5423339 89503 303562828 552729 a-Alanine, conf. II
430087.7122 5.6281 -3.8658 3 306.8856285 89503 3034739 8 4638 9 a-Alanine, conf. II
430087.7122 5.6281 -3.8658 3 306.8856285 89503 3034739 9 4638 8 a-Alanine, conf. II
430128.4439 20.1626 -3.5497 3 715.2810459 89503 303765026 755025 a-Alanine, conf. II
430128.4439 20.1626 -3.5497 3 715.2810459 89503 303765027 755026 a-Alanine, conf. II
430164.0255 30.6851 -3.1029 3 570.0726441 89503 303733142 723141 a-Alanine, conf. II
430192.8326 12.2210 -4.4916 3 610.6240471 89503 303782256 772355 a-Alanine, conf. II
430192.8365 12.2210 -3.1406 3 610.6240471 89503 303782356 772355 a-Alanine, conf. II
430192.8422 12.2210 -3.1406 3 610.6240471 89503 303782256 772255 a-Alanine, conf. II
430192.8461 12.2210 -4.4916 3 610.6240471 89503 303782356 772255 a-Alanine, conf. II
430241.7494 3.6338 -4.5644 3 170.3380225 89503 303372710 362511 a-Alanine, conf. II
430241.7494 3.6338 -4.5644 3 170.3380225 89503 303372711 362512 a-Alanine, conf. II
430406.3133 21.8427 -3.0168 3 533.4249429 89503 303712843 702842 a-Alanine, conf. II
430436.9738 14.7181 -3.1576 3 631.5653489 89503 303811863 801862 a-Alanine, conf. II
430436.9738 14.7181 -4.4205 3 631.5653489 89503 303811863 801962 a-Alanine, conf. II
430436.9738 14.7181 -4.4205 3 631.5653489 89503 303811963 801862 a-Alanine, conf. II
430436.9738 14.7181 -3.1576 3 631.5653489 89503 303811963 801962 a-Alanine, conf. II
430463.0124 17.6117 -4.5488 3 407.4307375 89503 303622637 612536 a-Alanine, conf. II
430478.8856 20.1835 -3.5216 3 708.3394459 89503 303764927 754926 a-Alanine, conf. II
430478.8856 20.1835 -3.5216 3 708.3394459 89503 303764928 754927 a-Alanine, conf. II
430504.3536 3.2692 -4.3899 3 371.5814357 89503 303592634 582533 a-Alanine, conf. II
430531.1701 8.5923 -3.8000 3 304.4315267 89503 3034443 1 4342 2 a-Alanine, conf. II
430531.1701 8.5923 -3.8000 3 304.4315267 89503 3034443 2 4342 1 a-Alanine, conf. II
430567.8999 26.4274 -3.1623 3 655.7576519 89503 303861175 851174 a-Alanine, conf. II
430567.8999 26.4274 -4.3348 3 655.7576519 89503 303861175 851274 a-Alanine, conf. II
430567.8999 26.4274 -4.3348 3 655.7576519 89503 303861275 851174 a-Alanine, conf. II
430567.8999 26.4274 -3.1623 3 655.7576519 89503 303861275 851274 a-Alanine, conf. II
430597.5651 85.6204 -3.1459 3 669.3337549 89503 30391 487 90 486 a-Alanine, conf. II
430597.5651 85.6204 -4.2635 3 669.3337549 89503 30391 487 90 586 a-Alanine, conf. II
430597.5651 85.6204 -4.2635 3 669.3337549 89503 30391 587 90 486 a-Alanine, conf. II
430597.5651 85.6204 -3.1459 3 669.3337549 89503 30391 587 90 586 a-Alanine, conf. II
430616.3219 3.0682 -3.9764 3 318.3742309 89503 303513417 503318 a-Alanine, conf. II
430616.3219 3.0682 -3.9764 3 318.3742309 89503 303513418 503317 a-Alanine, conf. II
430855.0595 20.2216 -3.4944 3 701.5562459 89503 303764828 754827 a-Alanine, conf. II
430855.0595 20.2216 -3.4944 3 701.5562459 89503 303764829 754828 a-Alanine, conf. II
430873.1890 20.7092 -3.2554 3 628.5094453 89503 303753838 743837 a-Alanine, conf. II
430873.1955 20.7093 -3.2554 3 628.5094453 89503 303753837 743836 a-Alanine, conf. II
430928.0897 4.4524 -4.1493 3 234.7051291 89503 303481831 471632 a-Alanine, conf. II
431064.8065150.7077 -3.1303 3 674.4327567 89503 30394 094 93 093 a-Alanine, conf. II
431064.8065150.7077 -4.2252 3 674.4327567 89503 30394 094 93 193 a-Alanine, conf. II
431064.8065150.7077 -4.2252 3 674.4327567 89503 30394 194 93 093 a-Alanine, conf. II
431064.8065150.7077 -3.1303 3 674.4327567 89503 30394 194 93 193 a-Alanine, conf. II
431079.8419 23.0970 -3.1509 3 591.7020447 89503 303743342 733341 a-Alanine, conf. II
431127.7869 18.0208 -3.1653 3 648.7573507 89503 303841470 831469 a-Alanine, conf. II
431127.7869 18.0208 -4.3701 3 648.7573507 89503 303841470 831569 a-Alanine, conf. II
431127.7869 18.0208 -4.3701 3 648.7573507 89503 303841570 831469 a-Alanine, conf. II
431127.7869 18.0208 -3.1653 3 648.7573507 89503 303841570 831569 a-Alanine, conf. II
431201.3446 23.8774 -3.1507 3 591.7054447 89503 303743341 733340 a-Alanine, conf. II
431259.7691 20.2789 -3.4681 3 694.9328459 89503 303764729 754728 a-Alanine, conf. II
431259.7691 20.2789 -3.4681 3 694.9328459 89503 303764730 754729 a-Alanine, conf. II
431272.3290 53.3618 -3.1576 3 666.8403537 89503 30389 782 88 781 a-Alanine, conf. II
431272.3290 53.3618 -4.2958 3 666.8403537 89503 30389 782 88 881 a-Alanine, conf. II
431272.3290 53.3618 -4.2958 3 666.8403537 89503 30389 882 88 781 a-Alanine, conf. II
431272.3290 53.3618 -3.1576 3 666.8403537 89503 30389 882 88 881 a-Alanine, conf. II
431291.2312 13.1946 -4.4730 3 619.8069477 89503 303792158 782257 a-Alanine, conf. II
431291.2313 13.1946 -3.1496 3 619.8069477 89503 303792258 782257 a-Alanine, conf. II
431291.2315 13.1946 -3.1496 3 619.8069477 89503 303792158 782157 a-Alanine, conf. II
431291.2316 13.1946 -4.4730 3 619.8069477 89503 303792258 782157 a-Alanine, conf. II
431350.8946 4.9717 -3.8871 3 310.3927291 89503 303483810 473711 a-Alanine, conf. II
431350.8946 4.9717 -3.8871 3 310.3927291 89503 303483811 473710 a-Alanine, conf. II
431516.9645 10.0050 -3.0661 3 559.8797441 89503 303732746 722745 a-Alanine, conf. II
431575.3899 2.9748 -4.4465 3 181.1443237 89503 303392613 382414 a-Alanine, conf. II
431575.3900 2.9748 -4.4465 3 181.1443237 89503 303392614 382415 a-Alanine, conf. II
431618.1910 9.3640 -4.6307 3 585.2691453 89503 303752649 742748 a-Alanine, conf. II
431626.6996 23.5224 -4.6234 3 920.6593465 89503 3037772 5 7672 4 a-Alanine, conf. II
431626.6996 23.5224 -4.6234 3 920.6593465 89503 3037772 6 7672 5 a-Alanine, conf. II
431658.4546 9.2904 -3.0920 3 574.4752447 89503 303742847 732846 a-Alanine, conf. II
431696.2747 20.3582 -3.4425 3 688.4709459 89503 303764630 754629 a-Alanine, conf. II
431696.2747 20.3582 -3.4425 3 688.4709459 89503 303764631 754630 a-Alanine, conf. II
431719.2717 2.8049 -4.0062 3 323.5143315 89503 303523319 513220 a-Alanine, conf. II
431719.2717 2.8049 -4.0062 3 323.5143315 89503 303523320 513219 a-Alanine, conf. II
431719.6845 15.4492 -3.1641 3 639.7787495 89503 303821765 811764 a-Alanine, conf. II
431719.6845 15.4492 -4.4097 3 639.7787495 89503 303821765 811864 a-Alanine, conf. II
431719.6845 15.4492 -4.4097 3 639.7787495 89503 303821865 811764 a-Alanine, conf. II
431719.6845 15.4492 -3.1641 3 639.7787495 89503 303821865 811864 a-Alanine, conf. II
431731.9181 23.3496 -4.5256 3 910.4153465 89503 3037771 6 7671 5 a-Alanine, conf. II
431731.9181 23.3496 -4.5256 3 910.4153465 89503 3037771 7 7671 6 a-Alanine, conf. II
431827.9155 7.7505 -3.8173 3 306.7359273 89503 3034542 3 4441 4 a-Alanine, conf. II
431827.9155 7.7505 -3.8173 3 306.7359273 89503 3034542 4 4441 3 a-Alanine, conf. II
431842.4361 23.1838 -4.4403 3 900.3176465 89503 3037770 7 7670 6 a-Alanine, conf. II
431842.4361 23.1838 -4.4403 3 900.3176465 89503 3037770 8 7670 7 a-Alanine, conf. II
431851.3833100.9893 -3.1466 3 674.5071555 89503 30392 389 91 388 a-Alanine, conf. II
431851.3833100.9893 -4.2580 3 674.5071555 89503 30392 389 91 488 a-Alanine, conf. II
431851.3833100.9893 -4.2580 3 674.5071555 89503 30392 489 91 388 a-Alanine, conf. II
431851.3833100.9893 -3.1466 3 674.5071555 89503 30392 489 91 488 a-Alanine, conf. II
431858.0748 21.2488 -3.2354 3 623.5995453 89503 303753739 743738 a-Alanine, conf. II
431858.1424 21.2494 -3.2354 3 623.5995453 89503 303753738 743737 a-Alanine, conf. II
431880.1999 31.9728 -3.1656 3 662.4275525 89503 303871077 861076 a-Alanine, conf. II
431880.1999 31.9728 -4.3284 3 662.4275525 89503 303871077 861176 a-Alanine, conf. II
431880.1999 31.9728 -4.3284 3 662.4275525 89503 303871177 861076 a-Alanine, conf. II
431880.1999 31.9728 -3.1656 3 662.4275525 89503 303871177 861176 a-Alanine, conf. II
431917.0430 9.2378 -3.1076 3 585.2691453 89503 303752749 742748 a-Alanine, conf. II
431958.5643 23.0249 -4.3643 3 890.3666465 89503 3037769 8 7669 7 a-Alanine, conf. II
431958.5643 23.0249 -4.3643 3 890.3666465 89503 3037769 9 7669 8 a-Alanine, conf. II
431995.4522 1.9761 -4.2641 3 205.8495261 89503 303432419 422220 a-Alanine, conf. II
431997.5136 1.9758 -4.2641 3 205.8494261 89503 303432420 422221 a-Alanine, conf. II
432015.9879 1.7380 -4.2795 3 208.6657279 89503 303461432 451233 a-Alanine, conf. II
432044.2894 1.7315 -4.2795 3 208.6657279 89503 303461532 451333 a-Alanine, conf. II
432080.6383 22.8730 -4.2955 3 880.5625465 89503 3037768 9 7668 8 a-Alanine, conf. II
432080.6383 22.8730 -4.2955 3 880.5625465 89503 303776810 7668 9 a-Alanine, conf. II
432164.9838 10.0358 -4.5818 3 595.6813459 89503 303762551 752650 a-Alanine, conf. II
432168.4001 20.4625 -3.4178 3 682.1723459 89503 303764531 754530 a-Alanine, conf. II
432168.4001 20.4625 -3.4178 3 682.1723459 89503 303764532 754531 a-Alanine, conf. II
432184.7104 10.0525 -3.1220 3 595.6813459 89503 303762651 752650 a-Alanine, conf. II
432207.3037 10.0700 -3.1219 3 595.6799459 89503 303762551 752550 a-Alanine, conf. II
432209.0214 22.7283 -4.2324 3 870.9055465 89503 303776710 7667 9 a-Alanine, conf. II
432209.0214 22.7283 -4.2324 3 870.9055465 89503 303776711 766710 a-Alanine, conf. II
432217.0523 9.3290 -3.1069 3 585.2491453 89503 303752649 742648 a-Alanine, conf. II
432227.0304 10.0891 -4.5817 3 595.6799459 89503 303762651 752550 a-Alanine, conf. II
432287.3963 2.4086 -4.3487 3 192.9656249 89503 303412516 402317 a-Alanine, conf. II
432287.4124 2.4086 -4.3487 3 192.9656249 89503 303412517 402318 a-Alanine, conf. II
432344.1070 22.5908 -4.1740 3 861.3959465 89503 303776611 766610 a-Alanine, conf. II
432344.1070 22.5908 -4.1740 3 861.3959465 89503 303776612 766611 a-Alanine, conf. II
432373.8090 5.9088 -4.4367 3 383.2525363 89503 303602635 592534 a-Alanine, conf. II
432446.7213 20.4176 -3.1698 3 656.0829513 89503 303851372 841371 a-Alanine, conf. II
432446.7213 20.4176 -4.3626 3 656.0829513 89503 303851372 841471 a-Alanine, conf. II
432446.7213 20.4176 -4.3626 3 656.0829513 89503 303851472 841371 a-Alanine, conf. II
432446.7213 20.4176 -3.1698 3 656.0829513 89503 303851472 841471 a-Alanine, conf. II
432465.3453 14.0893 -3.1580 3 628.7441483 89503 303802060 792059 a-Alanine, conf. II
432465.3453 14.0893 -4.4573 3 628.7441483 89503 303802060 792159 a-Alanine, conf. II
432465.3453 14.0893 -4.4573 3 628.7441483 89503 303802160 792059 a-Alanine, conf. II
432465.3453 14.0893 -3.1580 3 628.7441483 89503 303802160 792159 a-Alanine, conf. II
432471.6842 10.9642 -4.4908 3 395.1998369 89503 303612636 602535 a-Alanine, conf. II
432486.3222 22.4605 -4.1194 3 852.0341465 89503 303776512 766511 a-Alanine, conf. II
432486.3222 22.4605 -4.1194 3 852.0341465 89503 303776513 766512 a-Alanine, conf. II
432515.9043 9.6701 -4.6287 3 585.2491453 89503 303752749 742648 a-Alanine, conf. II
432554.7955 64.2277 -3.1594 3 672.6606543 89503 30390 684 89 683 a-Alanine, conf. II
432554.7955 64.2277 -4.2902 3 672.6606543 89503 30390 684 89 783 a-Alanine, conf. II
432554.7955 64.2277 -4.2902 3 672.6606543 89503 30390 784 89 683 a-Alanine, conf. II
432554.7955 64.2277 -3.1594 3 672.6606543 89503 30390 784 89 783 a-Alanine, conf. II
432595.1755 4.3729 -3.9099 3 314.2573297 89503 303493712 483613 a-Alanine, conf. II
432595.1755 4.3729 -3.9099 3 314.2573297 89503 303493713 483612 a-Alanine, conf. II
432636.1312 22.3378 -4.0683 3 842.8203465 89503 303776413 766412 a-Alanine, conf. II
432636.1312 22.3378 -4.0683 3 842.8203465 89503 303776414 766413 a-Alanine, conf. II
432680.6733 20.5962 -3.3938 3 676.0391459 89503 303764432 754431 a-Alanine, conf. II
432680.6733 20.5962 -3.3938 3 676.0391459 89503 303764433 754432 a-Alanine, conf. II
432744.8289 2.6855 -4.0388 3 329.0431321 89503 303533221 523122 a-Alanine, conf. II
432744.8289 2.6855 -4.0388 3 329.0431321 89503 303533222 523121 a-Alanine, conf. II
432794.0401 22.2226 -4.0200 3 833.7549465 89503 303776314 766313 a-Alanine, conf. II
432794.0401 22.2226 -4.0200 3 833.7549465 89503 303776315 766314 a-Alanine, conf. II
432794.8991 11.0125 -4.5475 3 605.7429465 89503 303772453 762552 a-Alanine, conf. II
432795.9321 11.0141 -3.1345 3 605.7429465 89503 303772553 762552 a-Alanine, conf. II
432797.2369 11.0158 -3.1345 3 605.7428465 89503 303772453 762452 a-Alanine, conf. II
432798.2699 11.0174 -4.5475 3 605.7428465 89503 303772553 762452 a-Alanine, conf. II
432960.6010 22.1151 -3.9742 3 824.8383465 89503 303776215 766214 a-Alanine, conf. II
432960.6010 22.1151 -3.9742 3 824.8383465 89503 303776216 766215 a-Alanine, conf. II
432983.9272 21.9474 -3.2159 3 618.8894453 89503 303753640 743639 a-Alanine, conf. II
432984.5602 21.9530 -3.2159 3 618.8894453 89503 303753639 743638 a-Alanine, conf. II
433019.3251 16.3147 -3.1700 3 647.7763501 89503 303831667 821666 a-Alanine, conf. II
433019.3251 16.3147 -4.4001 3 647.7763501 89503 303831667 821766 a-Alanine, conf. II
433019.3251 16.3147 -4.4001 3 647.7763501 89503 303831767 821666 a-Alanine, conf. II
433019.3251 16.3147 -3.1700 3 647.7763501 89503 303831767 821766 a-Alanine, conf. II
433025.5536 24.0605 -3.1324 3 587.8661447 89503 303743243 733242 a-Alanine, conf. II
433093.7179118.2743 -3.1470 3 679.4782561 89503 30393 291 92 290 a-Alanine, conf. II
433093.7179118.2743 -4.2526 3 679.4782561 89503 30393 291 92 390 a-Alanine, conf. II
433093.7179118.2743 -4.2526 3 679.4782561 89503 30393 391 92 290 a-Alanine, conf. II
433093.7179118.2743 -3.1470 3 679.4782561 89503 30393 391 92 390 a-Alanine, conf. II
433118.6363 6.9535 -3.8355 3 309.3866279 89503 3034641 5 4540 6 a-Alanine, conf. II
433118.6363 6.9535 -3.8355 3 309.3866279 89503 3034641 6 4540 5 a-Alanine, conf. II
433136.4178 22.0157 -3.9307 3 816.0709465 89503 303776116 766115 a-Alanine, conf. II
433136.4178 22.0157 -3.9307 3 816.0709465 89503 303776117 766116 a-Alanine, conf. II
433185.7047 38.8734 -3.1686 3 668.8952531 89503 30388 979 87 978 a-Alanine, conf. II
433185.7047 38.8734 -4.3224 3 668.8952531 89503 30388 979 871078 a-Alanine, conf. II
433185.7047 38.8734 -4.3224 3 668.8952531 89503 303881079 87 978 a-Alanine, conf. II
433185.7047 38.8734 -3.1686 3 668.8952531 89503 303881079 871078 a-Alanine, conf. II
433238.5160 20.7645 -3.3705 3 670.0737459 89503 303764334 754333 a-Alanine, conf. II
433238.5161 20.7645 -3.3705 3 670.0737459 89503 303764333 754332 a-Alanine, conf. II
433322.1528 21.9245 -3.8892 3 807.4530465 89503 303776017 766016 a-Alanine, conf. II
433322.1528 21.9245 -3.8892 3 807.4530465 89503 303776018 766017 a-Alanine, conf. II
433518.5339 21.8419 -3.8496 3 798.9853465 89503 303775918 765917 a-Alanine, conf. II
433518.5339 21.8419 -3.8496 3 798.9853465 89503 303775919 765918 a-Alanine, conf. II
433616.1134 1.7924 -4.1677 3 228.6191279 89503 303462323 452124 a-Alanine, conf. II
433653.4443 12.0565 -4.5213 3 615.4970471 89503 303782355 772454 a-Alanine, conf. II
433653.4887 12.0566 -3.1456 3 615.4970471 89503 303782455 772454 a-Alanine, conf. II
433653.5493 12.0567 -3.1456 3 615.4970471 89503 303782355 772354 a-Alanine, conf. II
433653.5937 12.0568 -4.5213 3 615.4970471 89503 303782455 772354 a-Alanine, conf. II
433662.5689 2.7209 -4.0749 3 334.9729327 89503 303543124 533023 a-Alanine, conf. II
433662.5693 2.7209 -4.0749 3 334.9729327 89503 303543123 533024 a-Alanine, conf. II
433691.0004 14.8963 -3.1656 3 637.4467489 89503 303811962 801961 a-Alanine, conf. II
433691.0004 14.8963 -4.4440 3 637.4467489 89503 303811962 802061 a-Alanine, conf. II
433691.0004 14.8963 -4.4440 3 637.4467489 89503 303812062 801961 a-Alanine, conf. II
433691.0004 14.8963 -3.1656 3 637.4467489 89503 303812062 802061 a-Alanine, conf. II
433725.6425 28.0214 -3.1310 3 587.8889447 89503 303743242 733241 a-Alanine, conf. II
433726.3631 21.7681 -3.8116 3 790.6681465 89503 303775819 765818 a-Alanine, conf. II
433726.3631 21.7681 -3.8116 3 790.6681465 89503 303775820 765819 a-Alanine, conf. II
433764.5794 23.8355 -3.1740 3 663.2033519 89503 303861274 851273 a-Alanine, conf. II
433764.5794 23.8355 -4.3557 3 663.2033519 89503 303861274 851373 a-Alanine, conf. II
433764.5794 23.8355 -4.3557 3 663.2033519 89503 303861374 851273 a-Alanine, conf. II
433764.5794 23.8355 -3.1740 3 663.2033519 89503 303861374 851373 a-Alanine, conf. II
433813.9328 3.8428 -3.9342 3 318.4838303 89503 303503614 493515 a-Alanine, conf. II
433813.9328 3.8428 -3.9342 3 318.4838303 89503 303503615 493514 a-Alanine, conf. II
433826.8656 76.7355 -3.1609 3 678.2796549 89503 30391 586 90 585 a-Alanine, conf. II
433826.8656 76.7355 -4.2847 3 678.2796549 89503 30391 586 90 685 a-Alanine, conf. II
433826.8656 76.7355 -4.2847 3 678.2796549 89503 30391 686 90 585 a-Alanine, conf. II
433826.8656 76.7355 -3.1609 3 678.2796549 89503 30391 686 90 685 a-Alanine, conf. II
433848.5037 20.9743 -3.3479 3 664.2789459 89503 303764234 754233 a-Alanine, conf. II
433848.5037 20.9743 -3.3479 3 664.2789459 89503 303764235 754234 a-Alanine, conf. II
433871.9175 4.2752 -4.6590 3 167.1294219 89503 3033628 8 3526 9 a-Alanine, conf. II
433871.9175 4.2752 -4.6590 3 167.1294219 89503 3033628 9 352610 a-Alanine, conf. II
433931.0458 1.7649 -4.1672 3 228.6082279 89503 303462324 452125 a-Alanine, conf. II
433946.5265 21.7036 -3.7751 3 782.5020465 89503 303775720 765719 a-Alanine, conf. II
433946.5265 21.7036 -3.7751 3 782.5020465 89503 303775721 765720 a-Alanine, conf. II
433973.5618 2.2364 -4.0828 3 253.7430297 89503 303492228 482029 a-Alanine, conf. II
434097.1189 5.4393 -4.1156 3 246.5233297 89503 303491931 481732 a-Alanine, conf. II
434126.0912 0.6699 -4.3899 3 194.1848273 89503 303451233 441034 a-Alanine, conf. II
434126.6604 0.6699 -4.3899 3 194.1848273 89503 303451333 441134 a-Alanine, conf. II
434180.0063 21.6490 -3.7400 3 774.4876465 89503 303775621 765620 a-Alanine, conf. II
434180.0063 21.6490 -3.7400 3 774.4876465 89503 303775622 765621 a-Alanine, conf. II
434290.7127 22.8667 -3.1967 3 614.3896453 89503 303753541 743540 a-Alanine, conf. II
434296.0120 22.9094 -3.1967 3 614.3897453 89503 303753540 743539 a-Alanine, conf. II
434324.4368137.6015 -3.1471 3 684.2466567 89503 30394 193 93 192 a-Alanine, conf. II
434324.4368137.6015 -4.2472 3 684.2466567 89503 30394 193 93 292 a-Alanine, conf. II
434324.4368137.6015 -4.2472 3 684.2466567 89503 30394 293 93 192 a-Alanine, conf. II
434324.4368137.6015 -3.1471 3 684.2466567 89503 30394 293 93 292 a-Alanine, conf. II
434329.2329 17.5120 -3.1756 3 655.5618507 89503 303841569 831568 a-Alanine, conf. II
434329.2329 17.5120 -4.3915 3 655.5618507 89503 303841569 831668 a-Alanine, conf. II
434329.2329 17.5120 -4.3915 3 655.5618507 89503 303841669 831568 a-Alanine, conf. II
434329.2329 17.5120 -3.1756 3 655.5618507 89503 303841669 831668 a-Alanine, conf. II
434352.0761 9.9706 -3.0854 3 574.2735447 89503 303742747 732746 a-Alanine, conf. II
434386.3275 35.4759 -3.0429 3 549.9442435 89503 303722943 712942 a-Alanine, conf. II
434400.8912 6.2030 -3.8549 3 312.3860285 89503 3034740 7 4639 8 a-Alanine, conf. II
434400.8912 6.2030 -3.8549 3 312.3860285 89503 3034740 8 4639 7 a-Alanine, conf. II
434413.5429 14.8606 -4.0626 3 280.5163315 89503 303522032 511833 a-Alanine, conf. II
434426.5274 2.8984 -4.1155 3 341.3196333 89503 303553026 542925 a-Alanine, conf. II
434426.5494 2.8985 -4.1155 3 341.3196333 89503 303553025 542926 a-Alanine, conf. II
434427.8948 21.6046 -3.7062 3 766.6256465 89503 303775522 765521 a-Alanine, conf. II
434427.8948 21.6046 -3.7062 3 766.6256465 89503 303775523 765522 a-Alanine, conf. II
434483.1516 47.2078 -3.1712 3 675.1614537 89503 30389 881 88 880 a-Alanine, conf. II
434483.1516 47.2078 -4.3167 3 675.1614537 89503 30389 881 88 980 a-Alanine, conf. II
434483.1516 47.2078 -4.3167 3 675.1614537 89503 30389 981 88 880 a-Alanine, conf. II
434483.1516 47.2078 -3.1712 3 675.1614537 89503 30389 981 88 980 a-Alanine, conf. II
434518.0873 3.5995 -4.2873 3 363.1400351 89503 303582732 572631 a-Alanine, conf. II
434518.7318 21.2345 -3.3260 3 658.6579459 89503 303764135 754134 a-Alanine, conf. II
434518.7318 21.2345 -3.3260 3 658.6579459 89503 303764136 754135 a-Alanine, conf. II
434667.4288 13.1074 -4.5002 3 624.9737477 89503 303792257 782356 a-Alanine, conf. II
434667.4304 13.1074 -3.1556 3 624.9737477 89503 303792357 782356 a-Alanine, conf. II
434667.4328 13.1074 -3.1556 3 624.9737477 89503 303792257 782256 a-Alanine, conf. II
434667.4344 13.1074 -4.5002 3 624.9737477 89503 303792357 782256 a-Alanine, conf. II
434691.4105 21.5713 -3.6736 3 758.9166465 89503 303775423 765422 a-Alanine, conf. II
434691.4105 21.5713 -3.6736 3 758.9166465 89503 303775424 765423 a-Alanine, conf. II
434701.2051 12.7714 -3.0938 3 577.7473447 89503 303742946 732945 a-Alanine, conf. II
434744.2339 0.9600 -4.5259 3 179.6833267 89503 303441034 43 835 a-Alanine, conf. II
434744.2407 0.9600 -4.5259 3 179.6833267 89503 303441134 43 935 a-Alanine, conf. II
434832.3115 9.3353 -3.7918 3 310.5368267 89503 3034444 0 4343 1 a-Alanine, conf. II
434832.3115 9.3353 -3.7918 3 310.5368267 89503 3034444 1 4343 0 a-Alanine, conf. II
434851.4304 4.7388 -4.0638 3 261.0032303 89503 303502130 491931 a-Alanine, conf. II
434892.5821 4.0720 -4.2867 3 363.1304351 89503 303582731 572632 a-Alanine, conf. II
434898.9444 23.1975 -3.1150 3 584.2960447 89503 303743144 733143 a-Alanine, conf. II
434951.8360 15.6457 -3.1728 3 645.9231495 89503 303821864 811863 a-Alanine, conf. II
434951.8360 15.6457 -4.4324 3 645.9231495 89503 303821864 811963 a-Alanine, conf. II
434951.8360 15.6457 -4.4324 3 645.9231495 89503 303821964 811863 a-Alanine, conf. II
434951.8360 15.6457 -3.1728 3 645.9231495 89503 303821964 811963 a-Alanine, conf. II
434962.7518 3.1839 -4.1621 3 348.1051339 89503 303562928 552827 a-Alanine, conf. II
434963.5120 3.1849 -4.1621 3 348.1051339 89503 303562927 552828 a-Alanine, conf. II
434971.9186 21.5498 -3.6421 3 751.3615465 89503 303775324 765323 a-Alanine, conf. II
434971.9186 21.5498 -3.6421 3 751.3615465 89503 303775325 765324 a-Alanine, conf. II
434998.2988 3.3982 -3.9604 3 323.0779309 89503 303513516 503417 a-Alanine, conf. II
434998.2988 3.3982 -3.9604 3 323.0779309 89503 303513517 503416 a-Alanine, conf. II
435078.8987 28.4504 -3.1779 3 670.1198525 89503 303871176 861175 a-Alanine, conf. II
435078.8987 28.4504 -4.3493 3 670.1198525 89503 303871176 861275 a-Alanine, conf. II
435078.8987 28.4504 -4.3493 3 670.1198525 89503 303871276 861175 a-Alanine, conf. II
435078.8987 28.4504 -3.1779 3 670.1198525 89503 303871276 861275 a-Alanine, conf. II
435088.0786 90.9903 -3.1621 3 683.6969555 89503 30392 488 91 487 a-Alanine, conf. II
435088.0786 90.9903 -4.2794 3 683.6969555 89503 30392 488 91 587 a-Alanine, conf. II
435088.0786 90.9903 -4.2794 3 683.6969555 89503 30392 588 91 487 a-Alanine, conf. II
435088.0786 90.9903 -3.1621 3 683.6969555 89503 30392 588 91 587 a-Alanine, conf. II
435133.6585 3.5139 -4.2175 3 355.3608345 89503 303572830 562729 a-Alanine, conf. II
435153.3609 3.5405 -4.2174 3 355.3603345 89503 303572829 562730 a-Alanine, conf. II
435259.3472 21.5576 -3.3046 3 653.2148459 89503 303764037 754036 a-Alanine, conf. II
435259.3473 21.5576 -3.3046 3 653.2148459 89503 303764036 754035 a-Alanine, conf. II
435270.9547 21.5411 -3.6118 3 743.9611465 89503 303775225 765224 a-Alanine, conf. II
435270.9547 21.5411 -3.6118 3 743.9611465 89503 303775226 765225 a-Alanine, conf. II
435401.2303 6.9035 -4.3829 3 371.4616357 89503 303592633 582534 a-Alanine, conf. II
435507.9416 3.5463 -4.5217 3 177.3528231 89503 303382711 372512 a-Alanine, conf. II
435507.9416 3.5463 -4.5217 3 177.3528231 89503 303382712 372513 a-Alanine, conf. II
435543.5007159.1037 -3.1469 3 688.8114573 89503 30395 095 94 094 a-Alanine, conf. II
435543.5007159.1037 -4.2417 3 688.8114573 89503 30395 095 94 194 a-Alanine, conf. II
435543.5007159.1037 -4.2417 3 688.8114573 89503 30395 195 94 094 a-Alanine, conf. II
435543.5007159.1037 -3.1469 3 688.8114573 89503 30395 195 94 194 a-Alanine, conf. II
435590.2539 21.5464 -3.5824 3 736.7165465 89503 303775126 765125 a-Alanine, conf. II
435590.2539 21.5464 -3.5824 3 736.7165465 89503 303775127 765126 a-Alanine, conf. II
435644.3876 19.2926 -3.1807 3 663.1382513 89503 303851471 841470 a-Alanine, conf. II
435644.3876 19.2926 -4.3838 3 663.1382513 89503 303851471 841570 a-Alanine, conf. II
435644.3876 19.2926 -4.3838 3 663.1382513 89503 303851571 841470 a-Alanine, conf. II
435644.3876 19.2926 -3.1807 3 663.1382513 89503 303851571 841570 a-Alanine, conf. II
435671.4863 5.5020 -3.8754 3 315.7371291 89503 3034839 9 473810 a-Alanine, conf. II
435671.4863 5.5020 -3.8754 3 315.7371291 89503 303483910 4738 9 a-Alanine, conf. II
435771.5527 57.0567 -3.1736 3 681.2260543 89503 30390 783 89 782 a-Alanine, conf. II
435771.5527 57.0567 -4.3112 3 681.2260543 89503 30390 783 89 882 a-Alanine, conf. II
435771.5527 57.0567 -4.3112 3 681.2260543 89503 30390 883 89 782 a-Alanine, conf. II
435771.5527 57.0567 -3.1736 3 681.2260543 89503 30390 883 89 882 a-Alanine, conf. II
435783.5939 14.1061 -4.4828 3 634.1932483 89503 303802159 792258 a-Alanine, conf. II
435783.5939 14.1061 -3.1648 3 634.1932483 89503 303802259 792258 a-Alanine, conf. II
435783.5940 14.1061 -3.1648 3 634.1932483 89503 303802159 792158 a-Alanine, conf. II
435783.5941 14.1061 -4.4828 3 634.1932483 89503 303802259 792158 a-Alanine, conf. II
435791.1292 18.8424 -3.1012 3 580.9616447 89503 303743045 733044 a-Alanine, conf. II
435795.2344 22.6495 -4.5813 3 354.6707351 89503 303582434 572335 a-Alanine, conf. II
435832.0714 24.0601 -3.1778 3 610.1141453 89503 303753442 743441 a-Alanine, conf. II
435871.1051 14.2851 -3.0296 3 547.7818435 89503 303722844 712843 a-Alanine, conf. II
435871.2119 24.3466 -3.1778 3 610.1152453 89503 303753441 743440 a-Alanine, conf. II
435931.7872 21.5670 -3.5540 3 729.6286465 89503 303775027 765026 a-Alanine, conf. II
435931.7872 21.5670 -3.5540 3 729.6286465 89503 303775028 765027 a-Alanine, conf. II
435940.8005 2.6062 -4.2353 3 220.1598285 89503 303471532 461333 a-Alanine, conf. II
436026.8601 9.9230 -4.6279 3 599.6763459 89503 303762650 752749 a-Alanine, conf. II
436032.3683 9.5023 -3.1074 3 588.8738453 89503 303752848 742847 a-Alanine, conf. II
436051.4077 2.5723 -4.2351 3 220.1599285 89503 303471632 461433 a-Alanine, conf. II
436083.3443 21.9605 -3.2838 3 647.9542459 89503 303763938 753937 a-Alanine, conf. II
436083.3459 21.9606 -3.2838 3 647.9542459 89503 303763937 753936 a-Alanine, conf. II
436130.8631 8.4496 -3.8085 3 312.6906273 89503 3034543 2 4442 3 a-Alanine, conf. II
436130.8631 8.4496 -3.8085 3 312.6906273 89503 3034543 3 4442 2 a-Alanine, conf. II
436136.2406 3.0626 -3.9887 3 328.0462315 89503 303523418 513319 a-Alanine, conf. II
436136.2406 3.0626 -3.9887 3 328.0462315 89503 303523419 513318 a-Alanine, conf. II
436165.5885 15.6502 -4.4887 3 368.7036357 89503 303592534 582435 a-Alanine, conf. II
436173.1125 9.9324 -3.1232 3 599.6763459 89503 303762750 752749 a-Alanine, conf. II
436197.8299 40.7131 -3.0761 3 566.9355441 89503 303733043 723042 a-Alanine, conf. II
436236.3355 16.4188 -3.1794 3 654.1794501 89503 303831766 821765 a-Alanine, conf. II
436236.3355 16.4188 -4.4222 3 654.1794501 89503 303831766 821865 a-Alanine, conf. II
436236.3355 16.4188 -4.4222 3 654.1794501 89503 303831866 821765 a-Alanine, conf. II
436236.3355 16.4188 -3.1794 3 654.1794501 89503 303831866 821865 a-Alanine, conf. II
436297.8055 21.6046 -3.5264 3 722.6986465 89503 303774928 764927 a-Alanine, conf. II
436297.8055 21.6046 -3.5264 3 722.6986465 89503 303774929 764928 a-Alanine, conf. II
436325.7121 9.9962 -3.1229 3 599.6664459 89503 303762650 752649 a-Alanine, conf. II
436338.1101107.1057 -3.1630 3 688.9121561 89503 30393 390 92 389 a-Alanine, conf. II
436338.1101107.1057 -4.2742 3 688.9121561 89503 30393 390 92 489 a-Alanine, conf. II
436338.1101107.1057 -4.2742 3 688.9121561 89503 30393 490 92 389 a-Alanine, conf. II
436338.1101107.1057 -3.1630 3 688.9121561 89503 30393 490 92 489 a-Alanine, conf. II
436387.7472 34.3836 -3.1814 3 676.8334531 89503 303881078 871077 a-Alanine, conf. II
436387.7472 34.3836 -4.3433 3 676.8334531 89503 303881078 871177 a-Alanine, conf. II
436387.7472 34.3836 -4.3433 3 676.8334531 89503 303881178 871077 a-Alanine, conf. II
436387.7472 34.3836 -3.1814 3 676.8334531 89503 303881178 871177 a-Alanine, conf. II
436471.9645 10.1323 -4.6269 3 599.6664459 89503 303762750 752649 a-Alanine, conf. II
436516.2163 10.8193 -4.5847 3 610.0975465 89503 303772552 762651 a-Alanine, conf. II
436524.2248 1.9564 -4.2398 3 214.1263267 89503 303442420 432221 a-Alanine, conf. II
436525.2827 10.8291 -3.1374 3 610.0975465 89503 303772652 762651 a-Alanine, conf. II
436529.9344 1.9555 -4.2398 3 214.1261267 89503 303442421 432222 a-Alanine, conf. II
436535.9430 10.8394 -3.1374 3 610.0968465 89503 303772552 762551 a-Alanine, conf. II
436545.0094 10.8498 -4.5846 3 610.0968465 89503 303772652 762551 a-Alanine, conf. II
436690.8960 21.6612 -3.4998 3 715.9279465 89503 303774829 764828 a-Alanine, conf. II
436690.8960 21.6612 -3.4998 3 715.9279465 89503 303774830 764829 a-Alanine, conf. II
436692.2470 2.8958 -4.4123 3 188.5671243 89503 303402614 392415 a-Alanine, conf. II
436692.2472 2.8958 -4.4123 3 188.5671243 89503 303402615 392416 a-Alanine, conf. II
436926.2341 4.8561 -3.8973 3 319.4434297 89503 303493811 483712 a-Alanine, conf. II
436926.2341 4.8561 -3.8973 3 319.4434297 89503 303493812 483711 a-Alanine, conf. II
436960.9456 21.9231 -3.1855 3 670.5077519 89503 303861373 851372 a-Alanine, conf. II
436960.9456 21.9231 -4.3767 3 670.5077519 89503 303861373 851472 a-Alanine, conf. II
436960.9456 21.9231 -4.3767 3 670.5077519 89503 303861473 851372 a-Alanine, conf. II
436960.9456 21.9231 -3.1855 3 670.5077519 89503 303861473 851472 a-Alanine, conf. II
436968.6314 15.0184 -3.1732 3 643.1695489 89503 303812061 802060 a-Alanine, conf. II
436968.6314 15.0184 -4.4682 3 643.1695489 89503 303812061 802160 a-Alanine, conf. II
436968.6314 15.0184 -4.4682 3 643.1695489 89503 303812161 802060 a-Alanine, conf. II
436968.6314 15.0184 -3.1732 3 643.1695489 89503 303812161 802160 a-Alanine, conf. II
437007.8069 22.4678 -3.2636 3 642.8818459 89503 303763839 753838 a-Alanine, conf. II
437007.8240 22.4680 -3.2636 3 642.8818459 89503 303763838 753837 a-Alanine, conf. II
437012.6985 1.8755 -4.1484 3 237.5844285 89503 303472324 462125 a-Alanine, conf. II
437050.1435 68.5087 -3.1756 3 687.0891549 89503 30391 685 90 684 a-Alanine, conf. II
437050.1435 68.5087 -4.3059 3 687.0891549 89503 30391 685 90 784 a-Alanine, conf. II
437050.1435 68.5087 -4.3059 3 687.0891549 89503 30391 785 90 684 a-Alanine, conf. II
437050.1435 68.5087 -3.1756 3 687.0891549 89503 30391 785 90 784 a-Alanine, conf. II
437053.8137 3.7700 -3.9873 3 307.3426327 89503 303542331 532132 a-Alanine, conf. II
437114.0528 21.7394 -3.4739 3 709.3181465 89503 303774730 764729 a-Alanine, conf. II
437114.0528 21.7394 -3.4739 3 709.3181465 89503 303774731 764730 a-Alanine, conf. II
437149.9981 24.9980 -4.6640 3 945.4437471 89503 3037873 5 7773 4 a-Alanine, conf. II
437149.9981 24.9980 -4.6640 3 945.4437471 89503 3037873 6 7773 5 a-Alanine, conf. II
437179.7396 2.3494 -4.3202 3 200.8073255 89503 303422517 412318 a-Alanine, conf. II
437179.7924 2.3494 -4.3202 3 200.8073255 89503 303422518 412319 a-Alanine, conf. II
437205.3537 11.8560 -4.5534 3 620.1794471 89503 303782454 772553 a-Alanine, conf. II
437205.8051 11.8568 -3.1498 3 620.1794471 89503 303782554 772553 a-Alanine, conf. II
437206.3867 11.8577 -3.1498 3 620.1793471 89503 303782454 772453 a-Alanine, conf. II
437206.8381 11.8584 -4.5534 3 620.1793471 89503 303782554 772453 a-Alanine, conf. II
437211.1338 2.8628 -4.0194 3 333.3970321 89503 303533320 523221 a-Alanine, conf. II
437211.1338 2.8628 -4.0194 3 333.3970321 89503 303533321 523220 a-Alanine, conf. II
437254.4339 24.8235 -4.5658 3 935.0568471 89503 3037872 6 7772 5 a-Alanine, conf. II
437254.4339 24.8235 -4.5658 3 935.0568471 89503 3037872 7 7772 6 a-Alanine, conf. II
437364.0775 24.6560 -4.4802 3 924.8163471 89503 3037871 7 7771 6 a-Alanine, conf. II
437364.0775 24.6560 -4.4802 3 924.8163471 89503 3037871 8 7771 7 a-Alanine, conf. II
437424.3976 7.6091 -3.8261 3 315.1895279 89503 3034642 4 4541 5 a-Alanine, conf. II
437424.3976 7.6091 -3.8261 3 315.1895279 89503 3034642 5 4541 4 a-Alanine, conf. II
437479.2295 24.4956 -4.4039 3 914.7223471 89503 3037870 8 7770 7 a-Alanine, conf. II
437479.2295 24.4956 -4.4039 3 914.7223471 89503 3037870 9 7770 8 a-Alanine, conf. II
437536.1408 17.3601 -3.1856 3 662.2203507 89503 303841668 831667 a-Alanine, conf. II
437536.1408 17.3601 -4.4133 3 662.2203507 89503 303841668 831767 a-Alanine, conf. II
437536.1408 17.3601 -4.4133 3 662.2203507 89503 303841768 831667 a-Alanine, conf. II
437536.1408 17.3601 -3.1856 3 662.2203507 89503 303841768 831767 a-Alanine, conf. II
437570.7684 21.8422 -3.4489 3 702.8708465 89503 303774631 764630 a-Alanine, conf. II
437570.7684 21.8422 -3.4489 3 702.8708465 89503 303774632 764631 a-Alanine, conf. II
437576.7528125.2034 -3.1636 3 693.9247567 89503 30394 292 93 291 a-Alanine, conf. II
437576.7528125.2034 -4.2690 3 693.9247567 89503 30394 292 93 391 a-Alanine, conf. II
437576.7528125.2034 -4.2690 3 693.9247567 89503 30394 392 93 291 a-Alanine, conf. II
437576.7528125.2034 -3.1636 3 693.9247567 89503 30394 392 93 391 a-Alanine, conf. II
437590.2523 9.9136 -3.1037 3 588.7619453 89503 303752748 742747 a-Alanine, conf. II
437600.2139 24.3423 -4.3348 3 904.7752471 89503 3037869 9 7769 8 a-Alanine, conf. II
437600.2139 24.3423 -4.3348 3 904.7752471 89503 303786910 7769 9 a-Alanine, conf. II
437652.1332 25.3870 -3.1591 3 606.0812453 89503 303753343 743342 a-Alanine, conf. II
437689.6049 41.7248 -3.1846 3 683.3448537 89503 30389 980 88 979 a-Alanine, conf. II
437689.6049 41.7248 -4.3376 3 683.3448537 89503 30389 980 881079 a-Alanine, conf. II
437689.6049 41.7248 -4.3376 3 683.3448537 89503 303891080 88 979 a-Alanine, conf. II
437689.6049 41.7248 -3.1846 3 683.3448537 89503 303891080 881079 a-Alanine, conf. II
437715.6875 1.8142 -4.1473 3 237.5600285 89503 303472325 462126 a-Alanine, conf. II
437727.3812 24.1962 -4.2713 3 894.9751471 89503 303786810 7768 9 a-Alanine, conf. II
437727.3812 24.1962 -4.2713 3 894.9751471 89503 303786811 776810 a-Alanine, conf. II
437861.1106 24.0574 -4.2125 3 885.3224471 89503 303786711 776710 a-Alanine, conf. II
437861.1106 24.0574 -4.2125 3 885.3224471 89503 303786712 776711 a-Alanine, conf. II
437901.9636 27.0274 -3.1586 3 606.0888453 89503 303753342 743341 a-Alanine, conf. II
437995.8289 6.0868 -4.0868 3 258.5271303 89503 303502031 491832 a-Alanine, conf. II
438001.8129 23.9260 -4.1577 3 875.8173471 89503 303786612 776611 a-Alanine, conf. II
438001.8129 23.9260 -4.1577 3 875.8173471 89503 303786613 776612 a-Alanine, conf. II
438055.9140 23.1158 -3.2438 3 638.0048459 89503 303763740 753739 a-Alanine, conf. II
438056.0839 23.1175 -3.2438 3 638.0048459 89503 303763739 753738 a-Alanine, conf. II
438061.1796 37.6816 -3.1083 3 584.4213447 89503 303743143 733142 a-Alanine, conf. II
438065.1532 21.9735 -3.4246 3 696.5879465 89503 303774532 764531 a-Alanine, conf. II
438065.1532 21.9735 -3.4246 3 696.5879465 89503 303774533 764532 a-Alanine, conf. II
438105.3709 12.9508 -4.5291 3 629.9621477 89503 303792356 782455 a-Alanine, conf. II
438105.3894 12.9509 -3.1610 3 629.9621477 89503 303792456 782455 a-Alanine, conf. II
438105.4152 12.9509 -3.1610 3 629.9621477 89503 303792356 782355 a-Alanine, conf. II
438105.4338 12.9510 -4.5291 3 629.9621477 89503 303792456 782355 a-Alanine, conf. II
438109.7546 3.2800 -3.9495 3 318.2641333 89503 303552332 542133 a-Alanine, conf. II
438149.9345 23.8021 -4.1062 3 866.4603471 89503 303786513 776512 a-Alanine, conf. II
438149.9345 23.8021 -4.1062 3 866.4603471 89503 303786514 776513 a-Alanine, conf. II
438159.6199 4.2743 -3.9206 3 323.5088303 89503 303503713 493614 a-Alanine, conf. II
438159.6199 4.2743 -3.9206 3 323.5088303 89503 303503714 493613 a-Alanine, conf. II
438199.4465 2.8186 -4.0531 3 339.1408327 89503 303543222 533123 a-Alanine, conf. II
438199.4465 2.8186 -4.0531 3 339.1408327 89503 303543223 533122 a-Alanine, conf. II
438200.7635 15.8425 -3.1811 3 651.9131495 89503 303821963 811962 a-Alanine, conf. II
438200.7635 15.8425 -4.4557 3 651.9131495 89503 303821963 812062 a-Alanine, conf. II
438200.7635 15.8425 -4.4557 3 651.9131495 89503 303822063 811962 a-Alanine, conf. II
438200.7635 15.8425 -3.1811 3 651.9131495 89503 303822063 812062 a-Alanine, conf. II
438275.9289 25.6358 -3.1900 3 677.6721525 89503 303871275 861274 a-Alanine, conf. II
438275.9289 25.6358 -4.3703 3 677.6721525 89503 303871275 861374 a-Alanine, conf. II
438275.9289 25.6358 -4.3703 3 677.6721525 89503 303871375 861274 a-Alanine, conf. II
438275.9289 25.6358 -3.1900 3 677.6721525 89503 303871375 861374 a-Alanine, conf. II
438305.9608 23.6859 -4.0576 3 857.2515471 89503 303786414 776413 a-Alanine, conf. II
438305.9608 23.6859 -4.0576 3 857.2515471 89503 303786415 776414 a-Alanine, conf. II
438318.3443 81.6624 -3.1773 3 692.7505555 89503 30392 587 91 586 a-Alanine, conf. II
438318.3443 81.6624 -4.3008 3 692.7505555 89503 30392 587 91 686 a-Alanine, conf. II
438318.3443 81.6624 -4.3008 3 692.7505555 89503 30392 687 91 586 a-Alanine, conf. II
438318.3443 81.6624 -3.1773 3 692.7505555 89503 30392 687 91 686 a-Alanine, conf. II
438470.4210 23.5775 -4.0115 3 848.1914471 89503 303786315 776314 a-Alanine, conf. II
438470.4210 23.5775 -4.0115 3 848.1914471 89503 303786316 776315 a-Alanine, conf. II
438522.3408 5.3701 -4.0301 3 296.6104321 89503 303532330 522131 a-Alanine, conf. II
438602.0941 22.1383 -3.4010 3 690.4718465 89503 303774433 764432 a-Alanine, conf. II
438602.0941 22.1383 -3.4010 3 690.4718465 89503 303774434 764433 a-Alanine, conf. II
438643.8930 23.4773 -3.9676 3 839.2803471 89503 303786216 776215 a-Alanine, conf. II
438643.8930 23.4773 -3.9676 3 839.2803471 89503 303786217 776216 a-Alanine, conf. II
438710.8405 6.8148 -3.8448 3 318.0356285 89503 3034741 6 4640 7 a-Alanine, conf. II
438710.8405 6.8148 -3.8448 3 318.0356285 89503 3034741 7 4640 6 a-Alanine, conf. II
438803.9019145.4124 -3.1639 3 698.7341573 89503 30395 194 94 193 a-Alanine, conf. II
438803.9019145.4124 -4.2638 3 698.7341573 89503 30395 194 94 293 a-Alanine, conf. II
438803.9019145.4124 -4.2638 3 698.7341573 89503 30395 294 94 193 a-Alanine, conf. II
438803.9019145.4124 -3.1639 3 698.7341573 89503 30395 294 94 293 a-Alanine, conf. II
438827.0093 23.3853 -3.9258 3 830.5188471 89503 303786117 776116 a-Alanine, conf. II
438827.0093 23.3853 -3.9258 3 830.5188471 89503 303786118 776117 a-Alanine, conf. II
438845.0395 18.6823 -3.1913 3 670.0495513 89503 303851570 841569 a-Alanine, conf. II
438845.0395 18.6823 -4.4052 3 670.0495513 89503 303851570 841669 a-Alanine, conf. II
438845.0395 18.6823 -4.4052 3 670.0495513 89503 303851670 841569 a-Alanine, conf. II
438845.0395 18.6823 -3.1913 3 670.0495513 89503 303851670 841669 a-Alanine, conf. II
438865.5142 2.9198 -4.0694 3 263.3475303 89503 303502229 492030 a-Alanine, conf. II
438957.4317 1.0967 -4.3353 3 205.5178279 89503 303461333 451134 a-Alanine, conf. II
438960.1827 1.0963 -4.3353 3 205.5178279 89503 303461433 451234 a-Alanine, conf. II
438983.2776 50.5537 -3.1875 3 689.6542543 89503 30390 882 89 881 a-Alanine, conf. II
438983.2776 50.5537 -4.3323 3 689.6542543 89503 30390 882 89 981 a-Alanine, conf. II
438983.2776 50.5537 -4.3323 3 689.6542543 89503 30390 982 89 881 a-Alanine, conf. II
438983.2776 50.5537 -3.1875 3 689.6542543 89503 30390 982 89 981 a-Alanine, conf. II
439020.4641 23.3020 -3.8858 3 821.9071471 89503 303786018 776017 a-Alanine, conf. II
439020.4641 23.3020 -3.8858 3 821.9071471 89503 303786019 776018 a-Alanine, conf. II
439064.6670 3.6370 -4.3169 3 374.4474357 89503 303592733 582632 a-Alanine, conf. II
439066.7561 2.9303 -4.0906 3 345.2907333 89503 303553125 543024 a-Alanine, conf. II
439066.7577 2.9303 -4.0906 3 345.2907333 89503 303553124 543025 a-Alanine, conf. II
439144.8586 14.0375 -4.5096 3 639.4727483 89503 303802258 792357 a-Alanine, conf. II
439144.8593 14.0375 -3.1711 3 639.4727483 89503 303802358 792357 a-Alanine, conf. II
439144.8602 14.0375 -3.1711 3 639.4727483 89503 303802258 792257 a-Alanine, conf. II
439144.8609 14.0375 -4.5096 3 639.4727483 89503 303802358 792257 a-Alanine, conf. II
439187.4694 22.3427 -3.3780 3 684.5250465 89503 303774334 764333 a-Alanine, conf. II
439187.4694 22.3427 -3.3780 3 684.5250465 89503 303774335 764334 a-Alanine, conf. II
439213.7833 4.1825 -4.6083 3 173.9387225 89503 3033728 9 362610 a-Alanine, conf. II
439213.7833 4.1825 -4.6083 3 173.9387225 89503 303372810 362611 a-Alanine, conf. II
439225.0206 23.2277 -3.8475 3 813.4459471 89503 303785919 775918 a-Alanine, conf. II
439225.0206 23.2277 -3.8475 3 813.4459471 89503 303785920 775919 a-Alanine, conf. II
439236.1977 3.7507 -4.1958 3 231.8584291 89503 303481632 471433 a-Alanine, conf. II
439260.1542 23.9589 -3.2245 3 633.3322459 89503 303763641 753640 a-Alanine, conf. II
439261.6681 23.9726 -3.2245 3 633.3322459 89503 303763640 753639 a-Alanine, conf. II
439364.3273 3.7710 -3.9456 3 327.9384309 89503 303513615 503516 a-Alanine, conf. II
439364.3273 3.7710 -3.9456 3 327.9384309 89503 303513616 503515 a-Alanine, conf. II
439441.5207 23.1627 -3.8106 3 805.1356471 89503 303785820 775819 a-Alanine, conf. II
439441.5207 23.1627 -3.8106 3 805.1356471 89503 303785821 775820 a-Alanine, conf. II
439465.0660 16.6181 -3.1884 3 660.4315501 89503 303831865 821864 a-Alanine, conf. II
439465.0660 16.6181 -4.4449 3 660.4315501 89503 303831865 821964 a-Alanine, conf. II
439465.0660 16.6181 -4.4449 3 660.4315501 89503 303831965 821864 a-Alanine, conf. II
439465.0660 16.6181 -3.1884 3 660.4315501 89503 303831965 821964 a-Alanine, conf. II
439575.7305 96.6252 -3.1787 3 698.2098561 89503 30393 489 92 488 a-Alanine, conf. II
439575.7305 96.6252 -4.2958 3 698.2098561 89503 30393 489 92 588 a-Alanine, conf. II
439575.7305 96.6252 -4.2958 3 698.2098561 89503 30393 589 92 488 a-Alanine, conf. II
439575.7305 96.6252 -3.1787 3 698.2098561 89503 30393 589 92 588 a-Alanine, conf. II
439587.0099 30.6025 -3.1940 3 684.6325531 89503 303881177 871176 a-Alanine, conf. II
439587.0099 30.6025 -4.3643 3 684.6325531 89503 303881177 871276 a-Alanine, conf. II
439587.0099 30.6025 -4.3643 3 684.6325531 89503 303881277 871176 a-Alanine, conf. II
439587.0099 30.6025 -3.1940 3 684.6325531 89503 303881277 871276 a-Alanine, conf. II
439587.0825 11.8004 -3.1080 3 592.2473453 89503 303752947 742946 a-Alanine, conf. II
439631.1214 3.6033 -4.1951 3 231.8588291 89503 303481732 471533 a-Alanine, conf. II
439656.2254 25.9300 -3.1409 3 602.3103453 89503 303753244 743243 a-Alanine, conf. II
439670.8954 23.1076 -3.7752 3 796.9769471 89503 303785721 775720 a-Alanine, conf. II
439670.8954 23.1076 -3.7752 3 796.9769471 89503 303785722 775721 a-Alanine, conf. II
439760.3356 3.1744 -4.1329 3 351.8644339 89503 303563027 552926 a-Alanine, conf. II
439760.4006 3.1745 -4.1329 3 351.8644339 89503 303563026 552927 a-Alanine, conf. II
439793.7085 11.2622 -4.1023 3 268.1024309 89503 303511932 501733 a-Alanine, conf. II
439828.4479 22.5952 -3.3558 3 678.7505465 89503 303774235 764234 a-Alanine, conf. II
439828.4479 22.5952 -3.3558 3 678.7505465 89503 303774236 764235 a-Alanine, conf. II
439875.1725 2.0337 -4.1308 3 246.7798291 89503 303482325 472126 a-Alanine, conf. II
439887.6273 4.6999 -4.3156 3 374.4266357 89503 303592732 582633 a-Alanine, conf. II
439900.7592 8.5170 -3.0483 3 562.3209441 89503 303732845 722844 a-Alanine, conf. II
439914.1777 23.0630 -3.7411 3 788.9703471 89503 303785622 775621 a-Alanine, conf. II
439914.1777 23.0630 -3.7411 3 788.9703471 89503 303785623 775622 a-Alanine, conf. II
439987.4859 6.0692 -3.8646 3 321.2318291 89503 3034840 8 4739 9 a-Alanine, conf. II
439987.4859 6.0692 -3.8646 3 321.2318291 89503 3034840 9 4739 8 a-Alanine, conf. II
440019.5438167.8683 -3.1638 3 703.3396579 89503 30396 096 95 095 a-Alanine, conf. II
440019.5438167.8683 -4.2587 3 703.3396579 89503 30396 096 95 195 a-Alanine, conf. II
440019.5438167.8683 -4.2587 3 703.3396579 89503 30396 196 95 095 a-Alanine, conf. II
440019.5438167.8683 -3.1638 3 703.3396579 89503 30396 196 95 195 a-Alanine, conf. II
440136.3730 0.7224 -4.4568 3 190.8364273 89503 303451134 44 935 a-Alanine, conf. II
440136.4141 0.7224 -4.4568 3 190.8364273 89503 303451234 441035 a-Alanine, conf. II
440158.3263 20.6484 -3.1967 3 677.6698519 89503 303861472 851471 a-Alanine, conf. II
440158.3263 20.6484 -4.3980 3 677.6698519 89503 303861472 851571 a-Alanine, conf. II
440158.3263 20.6484 -4.3980 3 677.6698519 89503 303861572 851471 a-Alanine, conf. II
440158.3263 20.6484 -3.1967 3 677.6698519 89503 303861572 851571 a-Alanine, conf. II
440161.6594 1.4254 -4.6097 3 176.1542267 89503 30344 935 43 736 a-Alanine, conf. II
440161.6598 1.4254 -4.6097 3 176.1542267 89503 303441035 43 836 a-Alanine, conf. II
440172.5175 23.0294 -3.7082 3 781.1165471 89503 303785523 775522 a-Alanine, conf. II
440172.5175 23.0294 -3.7082 3 781.1165471 89503 303785524 775523 a-Alanine, conf. II
440188.0995 3.8416 -4.2406 3 366.3915351 89503 303582831 572730 a-Alanine, conf. II
440193.1132 3.5087 -4.1818 3 358.8860345 89503 303572929 562828 a-Alanine, conf. II
440195.1551 3.5117 -4.1818 3 358.8860345 89503 303572928 562829 a-Alanine, conf. II
440236.1898 3.9109 -4.2405 3 366.3903351 89503 303582830 572731 a-Alanine, conf. II
440267.8338 60.9532 -3.1901 3 695.7618549 89503 30391 784 90 783 a-Alanine, conf. II
440267.8338 60.9532 -4.3271 3 695.7618549 89503 30391 784 90 883 a-Alanine, conf. II
440267.8338 60.9532 -4.3271 3 695.7618549 89503 30391 884 90 783 a-Alanine, conf. II
440267.8338 60.9532 -3.1901 3 695.7618549 89503 30391 884 90 883 a-Alanine, conf. II
440276.8016 15.0599 -4.4934 3 648.7294489 89503 303812160 802259 a-Alanine, conf. II
440276.8016 15.0599 -3.1804 3 648.7294489 89503 303812260 802259 a-Alanine, conf. II
440276.8017 15.0599 -3.1804 3 648.7294489 89503 303812160 802159 a-Alanine, conf. II
440276.8017 15.0599 -4.4934 3 648.7294489 89503 303812260 802159 a-Alanine, conf. II
440317.6902 9.9837 -3.1234 3 603.4183459 89503 303762849 752848 a-Alanine, conf. II
440373.7705 10.6523 -4.6276 3 614.2255465 89503 303772651 762750 a-Alanine, conf. II
440402.3481 17.5984 -3.9728 3 316.3517333 89503 303552233 542034 a-Alanine, conf. II
440432.5182 9.1877 -3.8004 3 318.7925273 89503 3034544 1 4443 2 a-Alanine, conf. II
440432.5182 9.1877 -3.8004 3 318.7925273 89503 3034544 2 4443 1 a-Alanine, conf. II
440444.1010 10.6833 -3.1393 3 614.2255465 89503 303772751 762750 a-Alanine, conf. II
440447.1995 23.0077 -3.6764 3 773.4163471 89503 303785424 775423 a-Alanine, conf. II
440447.1995 23.0077 -3.6764 3 773.4163471 89503 303785425 775424 a-Alanine, conf. II
440520.0229 10.7265 -3.1391 3 614.2206465 89503 303772651 762650 a-Alanine, conf. II
440530.5442 3.3669 -3.9725 3 332.7381315 89503 303523517 513418 a-Alanine, conf. II
440530.5442 3.3669 -3.9725 3 332.7381315 89503 303523518 513417 a-Alanine, conf. II
440533.9129 22.9066 -3.3341 3 673.1519465 89503 303774136 764135 a-Alanine, conf. II
440533.9129 22.9066 -3.3341 3 673.1519465 89503 303774137 764136 a-Alanine, conf. II
440590.3534 10.7899 -4.6271 3 614.2206465 89503 303772751 762650 a-Alanine, conf. II
440666.3393 25.0675 -3.2055 3 628.8760459 89503 303763542 753541 a-Alanine, conf. II
440678.3543 25.1670 -3.2054 3 628.8763459 89503 303763541 753540 a-Alanine, conf. II
440736.4993 3.4580 -4.4826 3 184.5643237 89503 303392712 382513 a-Alanine, conf. II
440736.4993 3.4580 -4.4826 3 184.5643237 89503 303392713 382514 a-Alanine, conf. II
440739.6646 22.9988 -3.6457 3 765.8706471 89503 303785325 775324 a-Alanine, conf. II
440739.6646 22.9988 -3.6457 3 765.8706471 89503 303785326 775325 a-Alanine, conf. II
440750.9309 17.4393 -3.1952 3 668.7306507 89503 303841767 831766 a-Alanine, conf. II
440750.9309 17.4393 -4.4354 3 668.7306507 89503 303841767 831866 a-Alanine, conf. II
440750.9309 17.4393 -4.4354 3 668.7306507 89503 303841867 831766 a-Alanine, conf. II
440750.9309 17.4393 -3.1952 3 668.7306507 89503 303841867 831866 a-Alanine, conf. II
440804.0328 5.2336 -4.0633 3 286.1095315 89503 303522329 512130 a-Alanine, conf. II
440822.0100113.5137 -3.1798 3 703.4667567 89503 30394 391 93 390 a-Alanine, conf. II
440822.0100113.5137 -4.2908 3 703.4667567 89503 30394 391 93 490 a-Alanine, conf. II
440822.0100113.5137 -4.2908 3 703.4667567 89503 30394 491 93 390 a-Alanine, conf. II
440822.0100113.5137 -3.1798 3 703.4667567 89503 30394 491 93 490 a-Alanine, conf. II
440880.0411 11.6501 -4.5889 3 624.6584471 89503 303782553 772652 a-Alanine, conf. II
440884.1539 11.6555 -3.1533 3 624.6584471 89503 303782653 772652 a-Alanine, conf. II
440889.1075 11.6613 -3.1533 3 624.6581471 89503 303782553 772552 a-Alanine, conf. II
440892.3603 36.9418 -3.1978 3 691.3898537 89503 303891079 881078 a-Alanine, conf. II
440892.3603 36.9418 -4.3586 3 691.3898537 89503 303891079 881178 a-Alanine, conf. II
440892.3603 36.9418 -4.3586 3 691.3898537 89503 303891179 881078 a-Alanine, conf. II
440892.3603 36.9418 -3.1978 3 691.3898537 89503 303891179 881178 a-Alanine, conf. II
440893.2203 11.6669 -4.5889 3 624.6581471 89503 303782653 772552 a-Alanine, conf. II
440921.2272 1.9521 -4.2171 3 222.6116273 89503 303452421 442222 a-Alanine, conf. II
440936.3991 1.9500 -4.2171 3 222.6110273 89503 303452422 442223 a-Alanine, conf. II
440977.9241 33.4269 -3.1382 3 602.3564453 89503 303753243 743242 a-Alanine, conf. II
440986.9527 34.5466 -4.6497 3 460.6746399 89503 303662740 652639 a-Alanine, conf. II
441051.5363 23.0039 -3.6160 3 758.4802471 89503 303785226 775225 a-Alanine, conf. II
441051.5363 23.0039 -3.6160 3 758.4802471 89503 303785227 775226 a-Alanine, conf. II
441178.7613 10.2059 -3.1214 3 603.3584459 89503 303762749 752748 a-Alanine, conf. II
441250.8028 5.3768 -3.8856 3 324.7811297 89503 303493910 483811 a-Alanine, conf. II
441250.8028 5.3768 -3.8856 3 324.7811297 89503 303493911 483810 a-Alanine, conf. II
441300.5833 23.6294 -3.1245 3 598.8027453 89503 303753145 743144 a-Alanine, conf. II
441315.0858 23.2919 -3.3131 3 667.7335465 89503 303774038 764037 a-Alanine, conf. II
441315.0862 23.2919 -3.3131 3 667.7335465 89503 303774037 764036 a-Alanine, conf. II
441371.2445 1.8817 -4.1285 3 246.7276291 89503 303482326 472127 a-Alanine, conf. II
441384.6522 23.0242 -3.5872 3 751.2462471 89503 303785127 775126 a-Alanine, conf. II
441384.6522 23.0242 -3.5872 3 751.2462471 89503 303785128 775127 a-Alanine, conf. II
441471.5151 15.9894 -3.1890 3 657.7453495 89503 303822062 812061 a-Alanine, conf. II
441471.5151 15.9894 -4.4797 3 657.7453495 89503 303822062 812161 a-Alanine, conf. II
441471.5151 15.9894 -4.4797 3 657.7453495 89503 303822162 812061 a-Alanine, conf. II
441471.5151 15.9894 -3.1890 3 657.7453495 89503 303822162 812161 a-Alanine, conf. II
441472.3845 23.5288 -3.2017 3 685.0832525 89503 303871374 861373 a-Alanine, conf. II
441472.3845 23.5288 -4.3914 3 685.0832525 89503 303871374 861473 a-Alanine, conf. II
441472.3845 23.5288 -4.3914 3 685.0832525 89503 303871474 861373 a-Alanine, conf. II
441472.3845 23.5288 -3.2017 3 685.0832525 89503 303871474 861473 a-Alanine, conf. II
441514.1457 17.7081 -3.1130 3 595.4981453 89503 303753046 743045 a-Alanine, conf. II
441530.5205 5.3459 -4.1608 3 243.7549297 89503 303491732 481533 a-Alanine, conf. II
441542.5562 73.0143 -3.1923 3 701.6675555 89503 30392 686 91 685 a-Alanine, conf. II
441542.5562 73.0143 -4.3222 3 701.6675555 89503 30392 686 91 785 a-Alanine, conf. II
441542.5562 73.0143 -4.3222 3 701.6675555 89503 30392 786 91 685 a-Alanine, conf. II
441542.5562 73.0143 -3.1923 3 701.6675555 89503 30392 786 91 785 a-Alanine, conf. II
441625.7324 12.7482 -4.5603 3 634.7630477 89503 303792455 782554 a-Alanine, conf. II
441625.9276 12.7485 -3.1656 3 634.7630477 89503 303792555 782554 a-Alanine, conf. II
441626.1838 12.7490 -3.1656 3 634.7630477 89503 303792455 782454 a-Alanine, conf. II
441626.3790 12.7494 -4.5603 3 634.7630477 89503 303792555 782454 a-Alanine, conf. II
441644.9173 3.0884 -4.0016 3 337.9149321 89503 303533419 523320 a-Alanine, conf. II
441644.9173 3.0884 -4.0016 3 337.9149321 89503 303533420 523319 a-Alanine, conf. II
441728.3030 8.3029 -3.8174 3 321.1402279 89503 3034643 3 4542 4 a-Alanine, conf. II
441728.3030 8.3029 -3.8174 3 321.1402279 89503 3034643 4 4542 3 a-Alanine, conf. II
441733.8109 10.1903 -4.4254 3 383.0278363 89503 303602634 592535 a-Alanine, conf. II
441741.1037 23.0614 -3.5593 3 744.1697471 89503 303785028 775027 a-Alanine, conf. II
441741.1037 23.0614 -3.5593 3 744.1697471 89503 303785029 775028 a-Alanine, conf. II
441755.9992 2.8188 -4.3805 3 196.1891249 89503 303412615 402416 a-Alanine, conf. II
441756.0002 2.8188 -4.3805 3 196.1891249 89503 303412616 402417 a-Alanine, conf. II
441952.2902 2.3766 -4.1149 3 256.2164297 89503 303492326 482127 a-Alanine, conf. II
441993.2664 2.2977 -4.2936 3 208.8518261 89503 303432518 422319 a-Alanine, conf. II
441993.4320 2.2976 -4.2936 3 208.8518261 89503 303432519 422320 a-Alanine, conf. II
442045.2865 30.9660 -3.0479 3 564.4337441 89503 303732944 722943 a-Alanine, conf. II
442050.6003 18.4660 -3.2016 3 676.8149513 89503 303851669 841668 a-Alanine, conf. II
442050.6003 18.4660 -4.4270 3 676.8149513 89503 303851669 841768 a-Alanine, conf. II
442050.6003 18.4660 -4.4270 3 676.8149513 89503 303851769 841668 a-Alanine, conf. II
442050.6003 18.4660 -3.2016 3 676.8149513 89503 303851769 841768 a-Alanine, conf. II
442057.0049132.4523 -3.1806 3 708.5207573 89503 30395 293 94 292 a-Alanine, conf. II
442057.0049132.4523 -4.2859 3 708.5207573 89503 30395 293 94 392 a-Alanine, conf. II
442057.0049132.4523 -4.2859 3 708.5207573 89503 30395 393 94 292 a-Alanine, conf. II
442057.0049132.4523 -3.1806 3 708.5207573 89503 30395 393 94 392 a-Alanine, conf. II
442080.4121 7.7505 -4.1304 3 255.8407303 89503 303501832 491633 a-Alanine, conf. II
442123.2844 23.1175 -3.5324 3 737.2519471 89503 303784929 774928 a-Alanine, conf. II
442123.2844 23.1175 -3.5324 3 737.2519471 89503 303784930 774929 a-Alanine, conf. II
442186.4755 23.7722 -3.2926 3 662.5004465 89503 303773939 763938 a-Alanine, conf. II
442186.4797 23.7723 -3.2926 3 662.5004465 89503 303773938 763937 a-Alanine, conf. II
442190.5418 44.7430 -3.2012 3 697.9445543 89503 30390 981 89 980 a-Alanine, conf. II
442190.5418 44.7430 -4.3534 3 697.9445543 89503 30390 981 891080 a-Alanine, conf. II
442190.5418 44.7430 -4.3534 3 697.9445543 89503 303901081 89 980 a-Alanine, conf. II
442190.5418 44.7430 -3.2012 3 697.9445543 89503 303901081 891080 a-Alanine, conf. II
442330.5539 26.4590 -3.1867 3 624.6519459 89503 303763443 753442 a-Alanine, conf. II
442414.1875 27.0870 -3.1865 3 624.6543459 89503 303763442 753441 a-Alanine, conf. II
442496.1694 4.7450 -3.9081 3 328.6871303 89503 303503812 493713 a-Alanine, conf. II
442496.1694 4.7450 -3.9081 3 328.6871303 89503 303503813 493712 a-Alanine, conf. II
442511.7246 4.1764 -4.0849 3 275.8715309 89503 303512328 502129 a-Alanine, conf. II
442533.9520 23.1949 -3.5062 3 730.4944471 89503 303784830 774829 a-Alanine, conf. II
442533.9520 23.1949 -3.5062 3 730.4944471 89503 303784831 774830 a-Alanine, conf. II
442562.4168 13.8919 -4.5379 3 644.5758483 89503 303802357 792456 a-Alanine, conf. II
442562.4245 13.8919 -3.1768 3 644.5758483 89503 303802457 792456 a-Alanine, conf. II
442562.4353 13.8920 -3.1768 3 644.5758483 89503 303802357 792356 a-Alanine, conf. II
442562.4430 13.8920 -4.5379 3 644.5758483 89503 303802457 792356 a-Alanine, conf. II
442688.9105 2.9609 -4.0333 3 343.4779327 89503 303543321 533222 a-Alanine, conf. II
442688.9105 2.9609 -4.0333 3 343.4779327 89503 303543322 533221 a-Alanine, conf. II
442709.3047 16.8319 -3.1970 3 666.5299501 89503 303831964 821963 a-Alanine, conf. II
442709.3047 16.8319 -4.4681 3 666.5299501 89503 303831964 822063 a-Alanine, conf. II
442709.3047 16.8319 -4.4681 3 666.5299501 89503 303832064 821963 a-Alanine, conf. II
442709.3047 16.8319 -3.1970 3 666.5299501 89503 303832064 822063 a-Alanine, conf. II
442773.8551 26.3724 -4.6069 3 960.0255477 89503 3037973 6 7873 5 a-Alanine, conf. II
442773.8551 26.3724 -4.6069 3 960.0255477 89503 3037973 7 7873 6 a-Alanine, conf. II
442784.4037 27.5534 -3.2063 3 692.2914531 89503 303881276 871275 a-Alanine, conf. II
442784.4037 27.5534 -4.3854 3 692.2914531 89503 303881276 871375 a-Alanine, conf. II
442784.4037 27.5534 -4.3854 3 692.2914531 89503 303881376 871275 a-Alanine, conf. II
442784.4037 27.5534 -3.2063 3 692.2914531 89503 303881376 871375 a-Alanine, conf. II
442806.9057 86.8380 -3.1942 3 707.3712561 89503 30393 588 92 587 a-Alanine, conf. II
442806.9057 86.8380 -4.3173 3 707.3712561 89503 30393 588 92 687 a-Alanine, conf. II
442806.9057 86.8380 -4.3173 3 707.3712561 89503 30393 688 92 587 a-Alanine, conf. II
442806.9057 86.8380 -3.1942 3 707.3712561 89503 30393 688 92 687 a-Alanine, conf. II
442809.6022 4.7974 -4.1588 3 243.7566297 89503 303491832 481633 a-Alanine, conf. II
442858.5620 9.5046 -3.0703 3 576.9944447 89503 303742846 732845 a-Alanine, conf. II
442882.6336 26.2034 -4.5210 3 949.6421477 89503 3037972 7 7872 6 a-Alanine, conf. II
442882.6336 26.2034 -4.5210 3 949.6421477 89503 3037972 8 7872 7 a-Alanine, conf. II
442920.5215 3.0809 -4.1003 3 265.9088303 89503 303502327 492128 a-Alanine, conf. II
442976.3071 23.2964 -3.4808 3 723.8987471 89503 303784731 774730 a-Alanine, conf. II
442976.3071 23.2964 -3.4808 3 723.8987471 89503 303784732 774731 a-Alanine, conf. II
442996.8220 26.0415 -4.4444 3 939.4052477 89503 3037971 8 7871 7 a-Alanine, conf. II
442996.8220 26.0415 -4.4444 3 939.4052477 89503 3037971 9 7871 8 a-Alanine, conf. II
443018.1386 7.4643 -3.8354 3 323.8339285 89503 3034742 5 4641 6 a-Alanine, conf. II
443018.1386 7.4643 -3.8354 3 323.8339285 89503 3034742 6 4641 5 a-Alanine, conf. II
443116.7337 25.8868 -4.3749 3 929.3151477 89503 3037970 9 7870 8 a-Alanine, conf. II
443116.7337 25.8868 -4.3749 3 929.3151477 89503 303797010 7870 9 a-Alanine, conf. II
443166.5402 9.8074 -3.9364 3 329.3319339 89503 303562333 552134 a-Alanine, conf. II
443167.3795 24.3782 -3.2726 3 657.4588465 89503 303773840 763839 a-Alanine, conf. II
443167.4236 24.3787 -3.2726 3 657.4588465 89503 303773839 763838 a-Alanine, conf. II
443224.8585 3.4734 -4.3501 3 385.9850363 89503 303602734 592633 a-Alanine, conf. II
443242.7068 25.7394 -4.3111 3 919.3720477 89503 303796910 7869 9 a-Alanine, conf. II
443242.7068 25.7394 -4.3111 3 919.3720477 89503 303796911 786910 a-Alanine, conf. II
443280.6377153.5726 -3.1811 3 713.3710579 89503 30396 195 95 194 a-Alanine, conf. II
443280.6377153.5726 -4.2810 3 713.3710579 89503 30396 195 95 294 a-Alanine, conf. II
443280.6377153.5726 -4.2810 3 713.3710579 89503 30396 295 95 194 a-Alanine, conf. II
443280.6377153.5726 -3.1811 3 713.3710579 89503 30396 295 95 294 a-Alanine, conf. II
443358.2730 19.9262 -3.2076 3 684.6878519 89503 303861571 851570 a-Alanine, conf. II
443358.2730 19.9262 -4.4195 3 684.6878519 89503 303861571 851670 a-Alanine, conf. II
443358.2730 19.9262 -4.4195 3 684.6878519 89503 303861671 851570 a-Alanine, conf. II
443358.2730 19.9262 -3.2076 3 684.6878519 89503 303861671 851670 a-Alanine, conf. II
443375.1070 25.5994 -4.2520 3 909.5761477 89503 303796811 786810 a-Alanine, conf. II
443375.1070 25.5994 -4.2520 3 909.5761477 89503 303796812 786811 a-Alanine, conf. II
443454.0949 23.4257 -3.4562 3 717.4666471 89503 303784632 774631 a-Alanine, conf. II
443454.0949 23.4257 -3.4562 3 717.4666471 89503 303784633 774632 a-Alanine, conf. II
443470.5277 1.7837 -4.2868 3 217.0658285 89503 303471433 461234 a-Alanine, conf. II
443480.4262 54.0872 -3.2043 3 704.2971549 89503 30391 883 90 882 a-Alanine, conf. II
443480.4262 54.0872 -4.3483 3 704.2971549 89503 30391 883 90 982 a-Alanine, conf. II
443480.4262 54.0872 -4.3483 3 704.2971549 89503 30391 983 90 882 a-Alanine, conf. II
443480.4262 54.0872 -3.2043 3 704.2971549 89503 30391 983 90 982 a-Alanine, conf. II
443482.7280 1.7806 -4.2867 3 217.0658285 89503 303471533 461334 a-Alanine, conf. II
443514.3300 25.4669 -4.1968 3 899.9279477 89503 303796712 786711 a-Alanine, conf. II
443514.3300 25.4669 -4.1968 3 899.9279477 89503 303796713 786712 a-Alanine, conf. II
443530.8341 6.1164 -4.0658 3 270.7166309 89503 303512131 501932 a-Alanine, conf. II
443624.5027 15.0122 -4.5197 3 654.1210489 89503 303812259 802358 a-Alanine, conf. II
443624.5029 15.0122 -3.1870 3 654.1210489 89503 303812359 802358 a-Alanine, conf. II
443624.5033 15.0122 -3.1870 3 654.1210489 89503 303812259 802258 a-Alanine, conf. II
443624.5036 15.0122 -4.5197 3 654.1210489 89503 303812359 802258 a-Alanine, conf. II
443636.1004 2.9962 -4.0682 3 349.4383333 89503 303553224 543123 a-Alanine, conf. II
443636.1005 2.9962 -4.0682 3 349.4383333 89503 303553223 543124 a-Alanine, conf. II
443660.8049 25.3419 -4.1449 3 890.4275477 89503 303796613 786612 a-Alanine, conf. II
443660.8049 25.3419 -4.1449 3 890.4275477 89503 303796614 786613 a-Alanine, conf. II
443717.5016 4.1856 -3.9320 3 332.9543309 89503 303513714 503615 a-Alanine, conf. II
443717.5016 4.1856 -3.9320 3 332.9543309 89503 303513715 503614 a-Alanine, conf. II
443814.9980 25.2248 -4.0960 3 881.0754477 89503 303796514 786513 a-Alanine, conf. II
443814.9980 25.2248 -4.0960 3 881.0754477 89503 303796515 786514 a-Alanine, conf. II
443971.7394 23.5874 -3.4322 3 711.2002471 89503 303784533 774532 a-Alanine, conf. II
443971.7394 23.5874 -3.4322 3 711.2002471 89503 303784534 774533 a-Alanine, conf. II
443976.5163 17.6375 -3.2045 3 675.0905507 89503 303841866 831865 a-Alanine, conf. II
443976.5163 17.6375 -4.4579 3 675.0905507 89503 303841866 831965 a-Alanine, conf. II
443976.5163 17.6375 -4.4579 3 675.0905507 89503 303841966 831865 a-Alanine, conf. II
443976.5163 17.6375 -3.2045 3 675.0905507 89503 303841966 831965 a-Alanine, conf. II
443977.4168 25.1156 -4.0496 3 871.8718477 89503 303796415 786414 a-Alanine, conf. II
443977.4168 25.1156 -4.0496 3 871.8718477 89503 303796416 786415 a-Alanine, conf. II
444060.4932102.5347 -3.1959 3 712.8725567 89503 30394 490 93 489 a-Alanine, conf. II
444060.4932102.5347 -4.3126 3 712.8725567 89503 30394 490 93 589 a-Alanine, conf. II
444060.4932102.5347 -4.3126 3 712.8725567 89503 30394 590 93 489 a-Alanine, conf. II
444060.4932102.5347 -3.1959 3 712.8725567 89503 30394 590 93 589 a-Alanine, conf. II
444092.1833 32.8898 -3.2106 3 699.2955537 89503 303891178 881177 a-Alanine, conf. II
444092.1833 32.8898 -4.3797 3 699.2955537 89503 303891178 881277 a-Alanine, conf. II
444092.1833 32.8898 -4.3797 3 699.2955537 89503 303891278 881177 a-Alanine, conf. II
444092.1833 32.8898 -3.2106 3 699.2955537 89503 303891278 881277 a-Alanine, conf. II
444148.6146 25.0146 -4.0054 3 862.8172477 89503 303796316 786315 a-Alanine, conf. II
444148.6146 25.0146 -4.0054 3 862.8172477 89503 303796317 786316 a-Alanine, conf. II
444215.2452 11.2637 -3.1235 3 606.9104459 89503 303762948 752947 a-Alanine, conf. II
444267.9959 27.7548 -3.1681 3 620.6797459 89503 303763344 753343 a-Alanine, conf. II
444284.3251 25.1558 -3.2530 3 652.6167465 89503 303773741 763740 a-Alanine, conf. II
444284.7423 25.1600 -3.2530 3 652.6168465 89503 303773740 763739 a-Alanine, conf. II
444299.7241 6.6740 -3.8546 3 326.8761291 89503 3034841 7 4740 8 a-Alanine, conf. II
444299.7241 6.6740 -3.8546 3 326.8761291 89503 3034841 8 4740 7 a-Alanine, conf. II
444329.1963 24.9220 -3.9632 3 853.9119477 89503 303796217 786216 a-Alanine, conf. II
444329.1963 24.9220 -3.9632 3 853.9119477 89503 303796218 786217 a-Alanine, conf. II
444447.4333 3.1829 -4.1071 3 355.8105339 89503 303563126 553025 a-Alanine, conf. II
444447.4382 3.1829 -4.1071 3 355.8105339 89503 303563125 553026 a-Alanine, conf. II
444492.9201177.0134 -3.1813 3 718.0171585 89503 30397 097 96 096 a-Alanine, conf. II
444492.9201177.0134 -4.2761 3 718.0171585 89503 30397 097 96 196 a-Alanine, conf. II
444492.9201177.0134 -4.2761 3 718.0171585 89503 30397 197 96 096 a-Alanine, conf. II
444492.9201177.0134 -3.1813 3 718.0171585 89503 30397 197 96 196 a-Alanine, conf. II
444519.8243 24.8381 -3.9229 3 845.1565477 89503 303796118 786117 a-Alanine, conf. II
444519.8243 24.8381 -3.9229 3 845.1565477 89503 303796119 786118 a-Alanine, conf. II
444525.9271 4.0880 -4.5625 3 180.9433231 89503 303382810 372611 a-Alanine, conf. II
444525.9271 4.0880 -4.5625 3 180.9433231 89503 303382811 372612 a-Alanine, conf. II
444534.5224 23.7873 -3.4090 3 705.1020471 89503 303784434 774433 a-Alanine, conf. II
444534.5224 23.7873 -3.4090 3 705.1020471 89503 303784435 774434 a-Alanine, conf. II
444561.5060 10.6316 -3.1400 3 618.1057465 89503 303772850 762849 a-Alanine, conf. II
444645.6864 3.9995 -4.0603 3 273.1371309 89503 303512230 502031 a-Alanine, conf. II
444669.5338 22.0932 -3.2132 3 692.3519525 89503 303871473 861472 a-Alanine, conf. II
444669.5338 22.0932 -4.4127 3 692.3519525 89503 303871473 861572 a-Alanine, conf. II
444669.5338 22.0932 -4.4127 3 692.3519525 89503 303871573 861472 a-Alanine, conf. II
444669.5338 22.0932 -3.2132 3 692.3519525 89503 303871573 861572 a-Alanine, conf. II
444701.9549 11.4612 -4.6294 3 628.9171471 89503 303782652 772751 a-Alanine, conf. II
444721.2258 24.7632 -3.8842 3 836.5513477 89503 303796019 786018 a-Alanine, conf. II
444721.2258 24.7632 -3.8842 3 836.5513477 89503 303796020 786019 a-Alanine, conf. II
444733.0925 9.9654 -3.7929 3 325.0412273 89503 3034545 0 4444 1 a-Alanine, conf. II
444733.0925 9.9654 -3.7929 3 325.0412273 89503 3034545 1 4444 0 a-Alanine, conf. II
444735.2418 11.4864 -3.1557 3 628.9171471 89503 303782752 772751 a-Alanine, conf. II
444761.1362 65.0593 -3.2070 3 710.4475555 89503 30392 785 91 784 a-Alanine, conf. II
444761.1362 65.0593 -4.3435 3 710.4475555 89503 30392 785 91 884 a-Alanine, conf. II
444761.1362 65.0593 -4.3435 3 710.4475555 89503 30392 885 91 784 a-Alanine, conf. II
444761.1362 65.0593 -3.2070 3 710.4475555 89503 30392 885 91 884 a-Alanine, conf. II
444765.3588 31.0749 -3.1671 3 620.6956459 89503 303763343 753342 a-Alanine, conf. II
444770.4659 16.0570 -3.1964 3 663.4154495 89503 303822161 812160 a-Alanine, conf. II
444770.4659 16.0570 -4.5047 3 663.4154495 89503 303822161 812260 a-Alanine, conf. II
444770.4659 16.0570 -4.5047 3 663.4154495 89503 303822261 812160 a-Alanine, conf. II
444770.4659 16.0570 -3.1964 3 663.4154495 89503 303822261 812260 a-Alanine, conf. II
444772.2854 11.5141 -3.1556 3 628.9148471 89503 303782652 772651 a-Alanine, conf. II
444805.5723 11.5472 -4.6292 3 628.9148471 89503 303782752 772651 a-Alanine, conf. II
444906.7217 3.7167 -3.9577 3 337.5879315 89503 303523616 513517 a-Alanine, conf. II
444906.7217 3.7167 -3.9577 3 337.5879315 89503 303523617 513516 a-Alanine, conf. II
444934.2014 24.6979 -3.8471 3 828.0969477 89503 303795920 785919 a-Alanine, conf. II
444934.2014 24.6979 -3.8471 3 828.0969477 89503 303795921 785920 a-Alanine, conf. II
444935.4887 43.8351 -3.0789 3 581.4855447 89503 303743044 733043 a-Alanine, conf. II
444968.9151 5.6788 -4.3474 3 385.9415363 89503 303602733 592634 a-Alanine, conf. II
444971.3454 1.9800 -4.1109 3 256.1103297 89503 303492327 482128 a-Alanine, conf. II
445021.1035 10.7666 -3.1389 3 618.0745465 89503 303772750 762749 a-Alanine, conf. II
445062.1253 3.4887 -4.1512 3 362.6139345 89503 303573028 562927 a-Alanine, conf. II
445062.3110 3.4890 -4.1512 3 362.6139345 89503 303573027 562928 a-Alanine, conf. II
445148.8292 24.0330 -3.3864 3 699.1747471 89503 303784335 774334 a-Alanine, conf. II
445148.8292 24.0330 -3.3864 3 699.1747471 89503 303784336 774335 a-Alanine, conf. II
445149.3825 4.1552 -4.2655 3 377.6369357 89503 303592832 582731 a-Alanine, conf. II
445152.1754 18.9840 -4.0402 3 303.4154327 89503 303542133 531934 a-Alanine, conf. II
445159.6348 24.6424 -3.8113 3 819.7938477 89503 303795821 785820 a-Alanine, conf. II
445159.6348 24.6424 -3.8113 3 819.7938477 89503 303795822 785821 a-Alanine, conf. II
445163.2173 1.9657 -4.1959 3 231.3072279 89503 303462422 452223 a-Alanine, conf. II
445201.9210 1.9611 -4.1958 3 231.3058279 89503 303462423 452224 a-Alanine, conf. II
445257.2490 12.5306 -4.5945 3 639.3647477 89503 303792554 782653 a-Alanine, conf. II
445259.0920 12.5335 -3.1695 3 639.3647477 89503 303792654 782653 a-Alanine, conf. II
445261.3617 12.5366 -3.1695 3 639.3645477 89503 303792554 782553 a-Alanine, conf. II
445263.1015 4.3283 -4.2653 3 377.6339357 89503 303592831 582732 a-Alanine, conf. II
445263.2047 12.5396 -4.5945 3 639.3645477 89503 303792654 782553 a-Alanine, conf. II
445263.3561 18.5136 -3.2115 3 683.4325513 89503 303851768 841767 a-Alanine, conf. II
445263.3561 18.5136 -4.4491 3 683.4325513 89503 303851768 841867 a-Alanine, conf. II
445263.3561 18.5136 -4.4491 3 683.4325513 89503 303851868 841767 a-Alanine, conf. II
445263.3561 18.5136 -3.2115 3 683.4325513 89503 303851868 841867 a-Alanine, conf. II
445303.0586120.2236 -3.1971 3 718.1710573 89503 30395 392 94 391 a-Alanine, conf. II
445303.0586120.2236 -4.3079 3 718.1710573 89503 30395 392 94 491 a-Alanine, conf. II
445303.0586120.2236 -4.3079 3 718.1710573 89503 30395 492 94 391 a-Alanine, conf. II
445303.0586120.2236 -3.1971 3 718.1710573 89503 30395 492 94 491 a-Alanine, conf. II
445307.9711 0.6991 -4.3961 3 202.2119279 89503 303461234 451035 a-Alanine, conf. II
445308.1956 0.6991 -4.3961 3 202.2119279 89503 303461334 451135 a-Alanine, conf. II
445348.8366 11.8159 -3.0928 3 591.7665453 89503 303752847 742846 a-Alanine, conf. II
445376.2271 3.8629 -4.2027 3 369.8755351 89503 303582930 572829 a-Alanine, conf. II
445381.5440 3.8713 -4.2026 3 369.8753351 89503 303582929 572830 a-Alanine, conf. II
445393.9931 39.6541 -3.2146 3 706.0963543 89503 303901080 891079 a-Alanine, conf. II
445393.9931 39.6541 -4.3745 3 706.0963543 89503 303901080 891179 a-Alanine, conf. II
445393.9931 39.6541 -4.3745 3 706.0963543 89503 303901180 891079 a-Alanine, conf. II
445393.9931 39.6541 -3.2146 3 706.0963543 89503 303901180 891179 a-Alanine, conf. II
445398.5042 24.5975 -3.7768 3 811.6427477 89503 303795722 785721 a-Alanine, conf. II
445398.5042 24.5975 -3.7768 3 811.6427477 89503 303795723 785722 a-Alanine, conf. II
445570.0679 5.9353 -3.8748 3 330.2696297 89503 3034940 9 483910 a-Alanine, conf. II
445570.0679 5.9353 -3.8748 3 330.2696297 89503 303494010 4839 9 a-Alanine, conf. II
445574.8028 26.1718 -3.2338 3 647.9843465 89503 303773642 763641 a-Alanine, conf. II
445578.3374 26.2048 -3.2338 3 647.9844465 89503 303773641 763640 a-Alanine, conf. II
445651.8960 24.5637 -3.7436 3 803.6442477 89503 303795623 785622 a-Alanine, conf. II
445651.8960 24.5637 -3.7436 3 803.6442477 89503 303795624 785623 a-Alanine, conf. II
445776.5950 6.0402 -4.1258 3 255.8471303 89503 303501932 491733 a-Alanine, conf. II
445788.2842 1.1552 -4.5312 3 187.3420273 89503 303451035 44 836 a-Alanine, conf. II
445788.2867 1.1552 -4.5312 3 187.3420273 89503 303451135 44 936 a-Alanine, conf. II
445822.4921 24.3344 -3.3645 3 693.4216471 89503 303784236 774235 a-Alanine, conf. II
445822.4921 24.3344 -3.3645 3 693.4216471 89503 303784237 774236 a-Alanine, conf. II
445921.0211 24.5419 -3.7115 3 795.7991477 89503 303795524 785523 a-Alanine, conf. II
445921.0211 24.5419 -3.7115 3 795.7991477 89503 303795525 785524 a-Alanine, conf. II
445924.1221 3.3695 -4.4467 3 191.9730243 89503 303402713 392514 a-Alanine, conf. II
445924.1221 3.3695 -4.4467 3 191.9730243 89503 303402714 392515 a-Alanine, conf. II
445963.1408 26.8259 -4.6002 3 447.5448393 89503 303652739 642638 a-Alanine, conf. II
445973.7358 17.0037 -3.2052 3 672.4712501 89503 303832063 822062 a-Alanine, conf. II
445973.7358 17.0037 -4.4919 3 672.4712501 89503 303832063 822162 a-Alanine, conf. II
445973.7358 17.0037 -4.4919 3 672.4712501 89503 303832163 822062 a-Alanine, conf. II
445973.7358 17.0037 -3.2052 3 672.4712501 89503 303832163 822162 a-Alanine, conf. II
445980.9769 25.2403 -3.2184 3 699.8091531 89503 303881375 871374 a-Alanine, conf. II
445980.9769 25.2403 -4.4066 3 699.8091531 89503 303881375 871474 a-Alanine, conf. II
445980.9769 25.2403 -4.4066 3 699.8091531 89503 303881475 871374 a-Alanine, conf. II
445980.9769 25.2403 -3.2184 3 699.8091531 89503 303881475 871474 a-Alanine, conf. II
446030.6699 9.0356 -3.8094 3 327.2384279 89503 3034644 2 4543 3 a-Alanine, conf. II
446030.6699 9.0356 -3.8094 3 327.2384279 89503 3034644 3 4543 2 a-Alanine, conf. II
446032.0005 77.7530 -3.2095 3 716.3958561 89503 30393 687 92 686 a-Alanine, conf. II
446032.0005 77.7530 -4.3389 3 716.3958561 89503 30393 687 92 786 a-Alanine, conf. II
446032.0005 77.7530 -4.3389 3 716.3958561 89503 30393 787 92 686 a-Alanine, conf. II
446032.0005 77.7530 -3.2095 3 716.3958561 89503 30393 787 92 786 a-Alanine, conf. II
446052.9752 3.3627 -3.9853 3 342.5942321 89503 303533518 523419 a-Alanine, conf. II
446052.9752 3.3627 -3.9853 3 342.5942321 89503 303533519 523418 a-Alanine, conf. II
446054.5844 13.6902 -4.5683 3 649.4941483 89503 303802456 792555 a-Alanine, conf. II
446054.6680 13.6904 -3.1819 3 649.4941483 89503 303802556 792555 a-Alanine, conf. II
446054.7796 13.6906 -3.1819 3 649.4940483 89503 303802456 792455 a-Alanine, conf. II
446054.8632 13.6908 -4.5683 3 649.4940483 89503 303802556 792455 a-Alanine, conf. II
446207.2340 24.5329 -3.6804 3 788.1081477 89503 303795425 785424 a-Alanine, conf. II
446207.2340 24.5329 -3.6804 3 788.1081477 89503 303795426 785425 a-Alanine, conf. II
446250.0022 27.4398 -3.1504 3 616.9756459 89503 303763245 753244 a-Alanine, conf. II
446472.5411 45.5549 -3.1133 3 599.0335453 89503 303753144 743143 a-Alanine, conf. II
446512.0563 24.5379 -3.6504 3 780.5721477 89503 303795326 785325 a-Alanine, conf. II
446512.0563 24.5379 -3.6504 3 780.5721477 89503 303795327 785326 a-Alanine, conf. II
446534.4529140.0317 -3.1981 3 723.2661579 89503 30396 294 95 293 a-Alanine, conf. II
446534.4529140.0317 -4.3033 3 723.2661579 89503 30396 294 95 393 a-Alanine, conf. II
446534.4529140.0317 -4.3033 3 723.2661579 89503 30396 394 95 293 a-Alanine, conf. II
446534.4529140.0317 -3.1981 3 723.2661579 89503 30396 394 95 393 a-Alanine, conf. II
446562.6106 19.6363 -3.2181 3 691.5601519 89503 303861670 851669 a-Alanine, conf. II
446562.6106 19.6363 -4.4413 3 691.5601519 89503 303861670 851769 a-Alanine, conf. II
446562.6106 19.6363 -4.4413 3 691.5601519 89503 303861770 851669 a-Alanine, conf. II
446562.6106 19.6363 -3.2181 3 691.5601519 89503 303861770 851769 a-Alanine, conf. II
446565.2846 24.7047 -3.3431 3 687.8466471 89503 303784137 774136 a-Alanine, conf. II
446565.2846 24.7047 -3.3431 3 687.8466471 89503 303784138 774137 a-Alanine, conf. II
446688.4730 47.9353 -3.2182 3 712.6944549 89503 30391 982 90 981 a-Alanine, conf. II
446688.4730 47.9353 -4.3696 3 712.6944549 89503 30391 982 901081 a-Alanine, conf. II
446688.4730 47.9353 -4.3696 3 712.6944549 89503 303911082 90 981 a-Alanine, conf. II
446688.4730 47.9353 -3.2182 3 712.6944549 89503 303911082 901081 a-Alanine, conf. II
446719.1448 2.2559 -4.2688 3 217.1003267 89503 303442519 432320 a-Alanine, conf. II
446719.6420 2.2558 -4.2688 3 217.1002267 89503 303442520 432321 a-Alanine, conf. II
446747.5083 3.4916 -4.3880 3 397.7625369 89503 303612735 602634 a-Alanine, conf. II
446761.6047 2.7453 -4.3510 3 204.0112255 89503 303422616 412417 a-Alanine, conf. II
446761.6081 2.7453 -4.3510 3 204.0112255 89503 303422617 412418 a-Alanine, conf. II
446825.2747 5.2544 -3.8964 3 334.0177303 89503 303503911 493812 a-Alanine, conf. II
446825.2747 5.2544 -3.8964 3 334.0177303 89503 303503912 493811 a-Alanine, conf. II
446837.2049 24.5581 -3.6213 3 773.1921477 89503 303795227 785226 a-Alanine, conf. II
446837.2049 24.5581 -3.6213 3 773.1921477 89503 303795228 785227 a-Alanine, conf. II
446898.4872 16.2611 -3.1264 3 610.2254459 89503 303763047 753046 a-Alanine, conf. II
447023.6697 14.8806 -4.5475 3 659.3380489 89503 303812358 802457 a-Alanine, conf. II
447023.6729 14.8806 -3.1931 3 659.3380489 89503 303812458 802457 a-Alanine, conf. II
447023.6774 14.8806 -3.1931 3 659.3380489 89503 303812358 802357 a-Alanine, conf. II
447023.6806 14.8806 -4.5475 3 659.3380489 89503 303812458 802357 a-Alanine, conf. II
447090.3749 27.4973 -3.2150 3 643.5750465 89503 303773543 763542 a-Alanine, conf. II
447093.7520 23.9396 -4.5564 3 380.2864363 89503 303602535 592436 a-Alanine, conf. II
447116.9312 27.7234 -3.2149 3 643.5757465 89503 303773542 763541 a-Alanine, conf. II
447141.4382 3.1514 -4.0153 3 347.9808327 89503 303543420 533321 a-Alanine, conf. II
447141.4382 3.1514 -4.0153 3 347.9808327 89503 303543421 533320 a-Alanine, conf. II
447184.6268 24.5951 -3.5931 3 765.9692477 89503 303795128 785127 a-Alanine, conf. II
447184.6268 24.5951 -3.5931 3 765.9692477 89503 303795129 785128 a-Alanine, conf. II
447216.4385 17.8664 -3.2134 3 681.2971507 89503 303841965 831964 a-Alanine, conf. II
447216.4385 17.8664 -4.4810 3 681.2971507 89503 303841965 832064 a-Alanine, conf. II
447216.4385 17.8664 -4.4810 3 681.2971507 89503 303842065 831964 a-Alanine, conf. II
447216.4385 17.8664 -3.2134 3 681.2971507 89503 303842065 832064 a-Alanine, conf. II
447289.9489 29.5944 -3.2232 3 707.0611537 89503 303891277 881276 a-Alanine, conf. II
447289.9489 29.5944 -4.4010 3 707.0611537 89503 303891277 881376 a-Alanine, conf. II
447289.9489 29.5944 -4.4010 3 707.0611537 89503 303891377 881276 a-Alanine, conf. II
447289.9489 29.5944 -3.2232 3 707.0611537 89503 303891377 881376 a-Alanine, conf. II
447292.5196 92.2718 -3.2116 3 722.1416567 89503 30394 589 93 588 a-Alanine, conf. II
447292.5196 92.2718 -4.3343 3 722.1416567 89503 30394 589 93 688 a-Alanine, conf. II
447292.5196 92.2718 -4.3343 3 722.1416567 89503 30394 689 93 588 a-Alanine, conf. II
447292.5196 92.2718 -3.2116 3 722.1416567 89503 30394 689 93 688 a-Alanine, conf. II
447323.2494 8.1523 -3.8268 3 329.7804285 89503 3034743 4 4642 5 a-Alanine, conf. II
447323.2494 8.1523 -3.8268 3 329.7804285 89503 3034743 5 4642 4 a-Alanine, conf. II
447389.6576 25.1623 -3.3224 3 682.4542471 89503 303784039 774038 a-Alanine, conf. II
447389.6586 25.1623 -3.3224 3 682.4542471 89503 303784038 774037 a-Alanine, conf. II
447488.9527 23.3065 -3.1355 3 613.5229459 89503 303763146 753145 a-Alanine, conf. II
447556.5422 24.6508 -3.5658 3 758.9046477 89503 303795029 785028 a-Alanine, conf. II
447556.5422 24.6508 -3.5658 3 758.9046477 89503 303795030 785029 a-Alanine, conf. II
447594.6534 2.6916 -4.2433 3 228.8248291 89503 303481533 471334 a-Alanine, conf. II
447644.3553 2.6745 -4.2432 3 228.8248291 89503 303481633 471434 a-Alanine, conf. II
447754.6257162.0938 -3.1988 3 728.1573585 89503 30397 196 96 195 a-Alanine, conf. II
447754.6257162.0938 -4.2986 3 728.1573585 89503 30397 196 96 295 a-Alanine, conf. II
447754.6257162.0938 -4.2986 3 728.1573585 89503 30397 296 96 195 a-Alanine, conf. II
447754.6257162.0938 -3.1988 3 728.1573585 89503 30397 296 96 295 a-Alanine, conf. II
447868.8549 21.2480 -3.2243 3 699.4766525 89503 303871572 861571 a-Alanine, conf. II
447868.8549 21.2480 -4.4343 3 699.4766525 89503 303871572 861671 a-Alanine, conf. II
447868.8549 21.2480 -4.4343 3 699.4766525 89503 303871672 861571 a-Alanine, conf. II
447868.8549 21.2480 -3.2243 3 699.4766525 89503 303871672 861671 a-Alanine, conf. II
447929.6765 12.2785 -3.1144 3 606.6218459 89503 303762848 752847 a-Alanine, conf. II
447955.4980 24.7275 -3.5393 3 751.9996477 89503 303794930 784929 a-Alanine, conf. II
447955.4980 24.7275 -3.5393 3 751.9996477 89503 303794931 784930 a-Alanine, conf. II
447974.5582 57.8160 -3.2215 3 719.0900555 89503 30392 884 91 883 a-Alanine, conf. II
447974.5582 57.8160 -4.3649 3 719.0900555 89503 30392 884 91 983 a-Alanine, conf. II
447974.5582 57.8160 -4.3649 3 719.0900555 89503 30392 984 91 883 a-Alanine, conf. II
447974.5582 57.8160 -3.2215 3 719.0900555 89503 30392 984 91 983 a-Alanine, conf. II
448060.2506 4.6412 -3.9194 3 338.1243309 89503 303513813 503714 a-Alanine, conf. II
448060.2506 4.6412 -3.9194 3 338.1243309 89503 303513814 503713 a-Alanine, conf. II
448105.8138 16.0324 -4.5307 3 668.9187495 89503 303822260 812359 a-Alanine, conf. II
448105.8139 16.0324 -3.2034 3 668.9187495 89503 303822360 812359 a-Alanine, conf. II
448105.8140 16.0324 -3.2034 3 668.9187495 89503 303822260 812259 a-Alanine, conf. II
448105.8141 16.0324 -4.5307 3 668.9187495 89503 303822360 812259 a-Alanine, conf. II
448151.4214 3.1033 -4.0480 3 353.7575333 89503 303553322 543223 a-Alanine, conf. II
448151.4214 3.1033 -4.0480 3 353.7575333 89503 303553323 543222 a-Alanine, conf. II
448290.1247 27.9994 -4.6488 3 985.3210483 89503 3038074 6 7974 5 a-Alanine, conf. II
448290.1247 27.9994 -4.6488 3 985.3210483 89503 3038074 7 7974 6 a-Alanine, conf. II
448311.8765 25.7334 -3.3021 3 677.2501471 89503 303783940 773939 a-Alanine, conf. II
448311.8877 25.7335 -3.3021 3 677.2501471 89503 303783939 773938 a-Alanine, conf. II
448367.0906 22.6631 -3.0587 3 579.1788447 89503 303742945 732944 a-Alanine, conf. II
448384.4363 24.8279 -3.5136 3 745.2557477 89503 303794831 784830 a-Alanine, conf. II
448384.4363 24.8279 -3.5136 3 745.2557477 89503 303794832 784831 a-Alanine, conf. II
448398.0464 27.8289 -4.5626 3 974.7948483 89503 3038073 7 7973 6 a-Alanine, conf. II
448398.0464 27.8289 -4.5626 3 974.7948483 89503 3038073 8 7973 7 a-Alanine, conf. II
448486.0474 18.7063 -3.2211 3 689.9000513 89503 303851867 841866 a-Alanine, conf. II
448486.0474 18.7063 -4.4716 3 689.9000513 89503 303851867 841966 a-Alanine, conf. II
448486.0474 18.7063 -4.4716 3 689.9000513 89503 303851967 841866 a-Alanine, conf. II
448486.0474 18.7063 -3.2211 3 689.9000513 89503 303851967 841966 a-Alanine, conf. II
448511.2833 27.6656 -4.4856 3 964.4151483 89503 3038072 8 7972 7 a-Alanine, conf. II
448511.2833 27.6656 -4.4856 3 964.4151483 89503 3038072 9 7972 8 a-Alanine, conf. II
448542.3395108.7287 -3.2134 3 727.6848573 89503 30395 491 94 490 a-Alanine, conf. II
448542.3395108.7287 -4.3299 3 727.6848573 89503 30395 491 94 590 a-Alanine, conf. II
448542.3395108.7287 -4.3299 3 727.6848573 89503 30395 591 94 490 a-Alanine, conf. II
448542.3395108.7287 -3.2134 3 727.6848573 89503 30395 591 94 590 a-Alanine, conf. II
448594.3687 35.3188 -3.2277 3 714.1088543 89503 303901179 891178 a-Alanine, conf. II
448594.3687 35.3188 -4.3957 3 714.1088543 89503 303901179 891278 a-Alanine, conf. II
448594.3687 35.3188 -4.3957 3 714.1088543 89503 303901279 891178 a-Alanine, conf. II
448594.3687 35.3188 -3.2277 3 714.1088543 89503 303901279 891278 a-Alanine, conf. II
448608.8675 7.3167 -3.8453 3 332.6695291 89503 3034842 6 4741 7 a-Alanine, conf. II
448608.8675 7.3167 -3.8453 3 332.6695291 89503 3034842 7 4741 6 a-Alanine, conf. II
448630.1381 27.5096 -4.4158 3 954.1820483 89503 3038071 9 7971 8 a-Alanine, conf. II
448630.1381 27.5096 -4.4158 3 954.1820483 89503 303807110 7971 9 a-Alanine, conf. II
448630.2988 40.7115 -3.1456 3 617.0659459 89503 303763244 753243 a-Alanine, conf. II
448645.8273 2.1537 -4.0945 3 265.7055303 89503 303502328 492129 a-Alanine, conf. II
448652.6309 11.2234 -3.1400 3 621.7278465 89503 303772949 762948 a-Alanine, conf. II
448754.9375 27.3610 -4.3517 3 944.0959483 89503 303807010 7970 9 a-Alanine, conf. II
448754.9375 27.3610 -4.3517 3 944.0959483 89503 303807011 797010 a-Alanine, conf. II
448795.5507 11.3817 -3.1570 3 632.9347471 89503 303782851 772850 a-Alanine, conf. II
448846.7814 24.9555 -3.4886 3 738.6748477 89503 303794732 784731 a-Alanine, conf. II
448846.7814 24.9555 -3.4886 3 738.6748477 89503 303794733 784732 a-Alanine, conf. II
448882.8686 29.0551 -3.1963 3 639.4065465 89503 303773444 763443 a-Alanine, conf. II
448886.0341 27.2198 -4.2922 3 934.1569483 89503 303806911 796910 a-Alanine, conf. II
448886.0341 27.2198 -4.2922 3 934.1569483 89503 303806912 796911 a-Alanine, conf. II
448963.6143186.5514 -3.1991 3 732.8438591 89503 30398 098 97 097 a-Alanine, conf. II
448963.6143186.5514 -4.2939 3 732.8438591 89503 30398 098 97 197 a-Alanine, conf. II
448963.6143186.5514 -4.2939 3 732.8438591 89503 30398 198 97 097 a-Alanine, conf. II
448963.6143186.5514 -3.1991 3 732.8438591 89503 30398 198 97 197 a-Alanine, conf. II
449006.1349 7.0776 -4.0964 3 268.1243309 89503 303512032 501833 a-Alanine, conf. II
449023.8093 27.0862 -4.2367 3 924.3655483 89503 303806812 796811 a-Alanine, conf. II
449023.8093 27.0862 -4.2367 3 924.3655483 89503 303806813 796812 a-Alanine, conf. II
449032.0270 12.3258 -4.6329 3 643.7519477 89503 303792653 782752 a-Alanine, conf. II
449034.0364 11.4734 -3.1564 3 632.9188471 89503 303782751 772750 a-Alanine, conf. II
449047.5531 12.3420 -3.1725 3 643.7519477 89503 303792753 782752 a-Alanine, conf. II
449053.1966 3.2196 -4.0841 3 359.9364339 89503 303563225 553124 a-Alanine, conf. II
449053.1969 3.2196 -4.0841 3 359.9364339 89503 303563224 553125 a-Alanine, conf. II
449056.5600 30.3892 -3.1959 3 639.4116465 89503 303773443 763442 a-Alanine, conf. II
449065.3140 12.3589 -3.1725 3 643.7508477 89503 303792653 782652 a-Alanine, conf. II
449080.8400 12.3770 -4.6328 3 643.7508477 89503 303792753 782652 a-Alanine, conf. II
449167.0104 18.0399 -4.5417 3 434.6778387 89503 303642738 632637 a-Alanine, conf. II
449168.6760 26.9603 -4.1845 3 914.7219483 89503 303806713 796712 a-Alanine, conf. II
449168.6760 26.9603 -4.1845 3 914.7219483 89503 303806714 796713 a-Alanine, conf. II
449177.9421 23.6320 -3.2301 3 707.1844531 89503 303881474 871473 a-Alanine, conf. II
449177.9421 23.6320 -4.4280 3 707.1844531 89503 303881474 871573 a-Alanine, conf. II
449177.9421 23.6320 -4.4280 3 707.1844531 89503 303881574 871473 a-Alanine, conf. II
449177.9421 23.6320 -3.2301 3 707.1844531 89503 303881574 871573 a-Alanine, conf. II
449216.8912 1.9995 -4.1760 3 240.2156285 89503 303472423 462224 a-Alanine, conf. II
449244.6266 5.3852 -4.4322 3 409.7934375 89503 303622736 612635 a-Alanine, conf. II
449251.4238 69.3835 -3.2245 3 725.2832561 89503 30393 786 92 785 a-Alanine, conf. II
449251.4238 69.3835 -4.3604 3 725.2832561 89503 30393 786 92 885 a-Alanine, conf. II
449251.4238 69.3835 -4.3604 3 725.2832561 89503 30393 886 92 785 a-Alanine, conf. II
449251.4238 69.3835 -3.2245 3 725.2832561 89503 30393 886 92 885 a-Alanine, conf. II
449264.2363 17.0985 -3.2130 3 678.2514501 89503 303832162 822161 a-Alanine, conf. II
449264.2363 17.0985 -4.5166 3 678.2514501 89503 303832162 822261 a-Alanine, conf. II
449264.2363 17.0985 -4.5166 3 678.2514501 89503 303832262 822161 a-Alanine, conf. II
449264.2363 17.0985 -3.2130 3 678.2514501 89503 303832262 822261 a-Alanine, conf. II
449268.2904 4.1109 -3.9440 3 342.5940315 89503 303523715 513616 a-Alanine, conf. II
449268.2904 4.1109 -3.9440 3 342.5940315 89503 303523716 513615 a-Alanine, conf. II
449311.6991 1.9899 -4.1759 3 240.2123285 89503 303472424 462225 a-Alanine, conf. II
449321.0824 26.8422 -4.1352 3 905.2264483 89503 303806614 796613 a-Alanine, conf. II
449321.0824 26.8422 -4.1352 3 905.2264483 89503 303806615 796614 a-Alanine, conf. II
449346.5542 25.1147 -3.4644 3 732.2586477 89503 303794633 784632 a-Alanine, conf. II
449346.5542 25.1147 -3.4644 3 732.2586477 89503 303794634 784633 a-Alanine, conf. II
449353.8448 26.4564 -3.2823 3 672.2413471 89503 303783841 773840 a-Alanine, conf. II
449353.9560 26.4577 -3.2823 3 672.2413471 89503 303783840 773839 a-Alanine, conf. II
449370.9197 15.8193 -4.4763 3 394.8040369 89503 303612635 602536 a-Alanine, conf. II
449481.5156 26.7323 -4.0885 3 895.8794483 89503 303806515 796514 a-Alanine, conf. II
449481.5156 26.7323 -4.0885 3 895.8794483 89503 303806516 796515 a-Alanine, conf. II
449647.0347 13.4630 -4.6013 3 654.2169483 89503 303802555 792654 a-Alanine, conf. II
449647.8513 13.4645 -3.1862 3 654.2169483 89503 303802655 792654 a-Alanine, conf. II
449648.8778 13.4661 -3.1862 3 654.2169483 89503 303802555 792554 a-Alanine, conf. II
449649.6943 13.4676 -4.6013 3 654.2169483 89503 303802655 792554 a-Alanine, conf. II
449650.5057 26.6305 -4.0440 3 886.6813483 89503 303806416 796415 a-Alanine, conf. II
449650.5057 26.6305 -4.0440 3 886.6813483 89503 303806417 796416 a-Alanine, conf. II
449773.5012 19.6451 -3.2283 3 698.2849519 89503 303861769 851768 a-Alanine, conf. II
449773.5012 19.6451 -4.4634 3 698.2849519 89503 303861769 851868 a-Alanine, conf. II
449773.5012 19.6451 -4.4634 3 698.2849519 89503 303861869 851768 a-Alanine, conf. II
449773.5012 19.6451 -3.2283 3 698.2849519 89503 303861869 851868 a-Alanine, conf. II
449781.2314127.2458 -3.2149 3 733.0247579 89503 30396 393 95 392 a-Alanine, conf. II
449781.2314127.2458 -4.3255 3 733.0247579 89503 30396 393 95 492 a-Alanine, conf. II
449781.2314127.2458 -4.3255 3 733.0247579 89503 30396 493 95 392 a-Alanine, conf. II
449781.2314127.2458 -3.2149 3 733.0247579 89503 30396 493 95 492 a-Alanine, conf. II
449802.3110 3.4782 -4.1245 3 366.5332345 89503 303573127 563026 a-Alanine, conf. II
449802.3259 3.4782 -4.1245 3 366.5332345 89503 303573126 563027 a-Alanine, conf. II
449805.8293 3.9919 -4.5209 3 188.1436237 89503 303392811 382612 a-Alanine, conf. II
449805.8293 3.9919 -4.5209 3 188.1436237 89503 303392812 382613 a-Alanine, conf. II
449828.6316 26.5373 -4.0015 3 877.6324483 89503 303806317 796316 a-Alanine, conf. II
449828.6316 26.5373 -4.0015 3 877.6324483 89503 303806318 796317 a-Alanine, conf. II
449884.9797 6.5319 -3.8649 3 335.9082297 89503 3034941 8 4840 9 a-Alanine, conf. II
449884.9797 6.5319 -3.8649 3 335.9082297 89503 3034941 9 4840 8 a-Alanine, conf. II
449888.5222 25.3107 -3.4408 3 726.0095477 89503 303794534 784533 a-Alanine, conf. II
449888.5222 25.3107 -3.4408 3 726.0095477 89503 303794535 784534 a-Alanine, conf. II
449892.5998 42.5272 -3.2319 3 720.9531549 89503 303911081 901080 a-Alanine, conf. II
449892.5998 42.5272 -4.3909 3 720.9531549 89503 303911081 901180 a-Alanine, conf. II
449892.5998 42.5272 -4.3909 3 720.9531549 89503 303911181 901080 a-Alanine, conf. II
449892.5998 42.5272 -3.2319 3 720.9531549 89503 303911181 901180 a-Alanine, conf. II
449981.2963 4.4094 -4.2924 3 389.0997363 89503 303602833 592732 a-Alanine, conf. II
450016.5261 26.4529 -3.9608 3 868.7331483 89503 303806218 796217 a-Alanine, conf. II
450016.5261 26.4529 -3.9608 3 868.7331483 89503 303806219 796218 a-Alanine, conf. II
450209.4273 10.3938 -4.4838 3 422.0941381 89503 303632737 622636 a-Alanine, conf. II
450214.8828 26.3776 -3.9218 3 859.9840483 89503 303806119 796118 a-Alanine, conf. II
450214.8828 26.3776 -3.9218 3 859.9840483 89503 303806120 796119 a-Alanine, conf. II
450228.8167 1.1032 -4.3423 3 213.8067285 89503 303471334 461135 a-Alanine, conf. II
450229.9402 1.1030 -4.3423 3 213.8067285 89503 303471434 461235 a-Alanine, conf. II
450241.7276 4.8227 -4.2920 3 389.0931363 89503 303602832 592733 a-Alanine, conf. II
450301.5063 7.3720 -4.3829 3 397.6749369 89503 303612734 602635 a-Alanine, conf. II
450328.2569 3.8398 -4.1706 3 373.5693351 89503 303583029 572928 a-Alanine, conf. II
450328.7711 3.8407 -4.1706 3 373.5693351 89503 303583028 572929 a-Alanine, conf. II
450331.7508 9.8081 -3.8020 3 333.4837279 89503 3034645 1 4544 2 a-Alanine, conf. II
450331.7508 9.8081 -3.8020 3 333.4837279 89503 3034645 2 4544 1 a-Alanine, conf. II
450424.4638 26.3119 -3.8843 3 851.3856483 89503 303806020 796019 a-Alanine, conf. II
450424.4638 26.3119 -3.8843 3 851.3856483 89503 303806021 796020 a-Alanine, conf. II
450440.4805 3.6853 -3.9703 3 347.4326321 89503 303533617 523518 a-Alanine, conf. II
450440.4805 3.6853 -3.9703 3 347.4326321 89503 303533618 523517 a-Alanine, conf. II
450475.0540 18.0628 -3.2219 3 687.3472507 89503 303842064 832063 a-Alanine, conf. II
450475.0540 18.0628 -4.5048 3 687.3472507 89503 303842064 832163 a-Alanine, conf. II
450475.0540 18.0628 -4.5048 3 687.3472507 89503 303842164 832063 a-Alanine, conf. II
450475.0540 18.0628 -3.2219 3 687.3472507 89503 303842164 832163 a-Alanine, conf. II
450478.4036 25.5506 -3.4179 3 719.9301477 89503 303794435 784434 a-Alanine, conf. II
450478.4036 25.5506 -3.4179 3 719.9301477 89503 303794436 784435 a-Alanine, conf. II
450486.6626 27.0631 -3.2355 3 714.6854537 89503 303891376 881375 a-Alanine, conf. II
450486.6626 27.0631 -4.4223 3 714.6854537 89503 303891376 881475 a-Alanine, conf. II
450486.6626 27.0631 -4.4223 3 714.6854537 89503 303891476 881375 a-Alanine, conf. II
450486.6626 27.0631 -3.2355 3 714.6854537 89503 303891476 881475 a-Alanine, conf. II
450490.5847 14.6832 -4.5772 3 664.3728489 89503 303812457 802556 a-Alanine, conf. II
450490.6202 14.6832 -3.1985 3 664.3728489 89503 303812557 802556 a-Alanine, conf. II
450490.6683 14.6834 -3.1985 3 664.3728489 89503 303812457 802456 a-Alanine, conf. II
450490.7037 14.6834 -4.5772 3 664.3728489 89503 303812557 802456 a-Alanine, conf. II
450504.3070 4.2405 -4.2249 3 381.0750357 89503 303592931 582830 a-Alanine, conf. II
450517.7332 4.2634 -4.2249 3 381.0746357 89503 303592930 582831 a-Alanine, conf. II
450518.4433 82.7338 -3.2271 3 731.2738567 89503 30394 688 93 687 a-Alanine, conf. II
450518.4433 82.7338 -4.3560 3 731.2738567 89503 30394 688 93 787 a-Alanine, conf. II
450518.4433 82.7338 -4.3560 3 731.2738567 89503 30394 788 93 687 a-Alanine, conf. II
450518.4433 82.7338 -3.2271 3 731.2738567 89503 30394 788 93 787 a-Alanine, conf. II
450546.0506 27.3891 -3.2630 3 667.4365471 89503 303783742 773741 a-Alanine, conf. II
450547.0514 27.3995 -3.2630 3 667.4365471 89503 303783741 773740 a-Alanine, conf. II
450646.1086 26.2562 -3.8482 3 842.9383483 89503 303805921 795920 a-Alanine, conf. II
450646.1086 26.2562 -3.8482 3 842.9383483 89503 303805922 795921 a-Alanine, conf. II
450880.7449 26.2111 -3.8134 3 834.6427483 89503 303805822 795821 a-Alanine, conf. II
450880.7449 26.2111 -3.8134 3 834.6427483 89503 303805823 795822 a-Alanine, conf. II
450882.2168 12.0000 -3.1348 3 621.5631465 89503 303772849 762848 a-Alanine, conf. II
450907.8567 30.0580 -3.1779 3 635.4989465 89503 303773345 763344 a-Alanine, conf. II
451009.0754147.9529 -3.2161 3 738.1609585 89503 30397 295 96 294 a-Alanine, conf. II
451009.0754147.9529 -4.3211 3 738.1609585 89503 30397 295 96 394 a-Alanine, conf. II
451009.0754147.9529 -4.3211 3 738.1609585 89503 30397 395 96 294 a-Alanine, conf. II
451009.0754147.9529 -3.2161 3 738.1609585 89503 30397 395 96 394 a-Alanine, conf. II
451067.2077 3.2817 -4.4135 3 199.5798249 89503 303412714 402515 a-Alanine, conf. II
451067.2078 3.2817 -4.4135 3 199.5798249 89503 303412715 402516 a-Alanine, conf. II
451072.0815 20.8748 -3.2351 3 706.4559525 89503 303871671 861670 a-Alanine, conf. II
451072.0815 20.8748 -4.4561 3 706.4559525 89503 303871671 861770 a-Alanine, conf. II
451072.0815 20.8748 -4.4561 3 706.4559525 89503 303871771 861670 a-Alanine, conf. II
451072.0815 20.8748 -3.2351 3 706.4559525 89503 303871771 861770 a-Alanine, conf. II
451123.1476 25.8433 -3.3957 3 714.0233477 89503 303794336 784335 a-Alanine, conf. II
451123.1476 25.8433 -3.3957 3 714.0233477 89503 303794337 784336 a-Alanine, conf. II
451129.4006 26.1772 -3.7798 3 826.4996483 89503 303805723 795722 a-Alanine, conf. II
451129.4006 26.1772 -3.7798 3 826.4996483 89503 303805724 795723 a-Alanine, conf. II
451148.2864 5.8027 -3.8856 3 339.4996303 89503 303504010 493911 a-Alanine, conf. II
451148.2864 5.8027 -3.8856 3 339.4996303 89503 303504011 493910 a-Alanine, conf. II
451159.0314 1.6905 -4.6148 3 183.7063273 89503 30345 936 44 737 a-Alanine, conf. II
451159.0316 1.6905 -4.6148 3 183.7063273 89503 303451036 44 837 a-Alanine, conf. II
451183.3564 51.3089 -3.2357 3 727.5943555 89503 30392 983 91 982 a-Alanine, conf. II
451183.3564 51.3089 -4.3863 3 727.5943555 89503 30392 983 911082 a-Alanine, conf. II
451183.3564 51.3089 -4.3863 3 727.5943555 89503 303921083 91 982 a-Alanine, conf. II
451183.3564 51.3089 -3.2357 3 727.5943555 89503 303921083 911082 a-Alanine, conf. II
451208.9407 3.8581 -4.2044 3 240.7900297 89503 303491633 481434 a-Alanine, conf. II
451229.0505 0.8653 -4.4628 3 198.7554279 89503 303461135 45 936 a-Alanine, conf. II
451229.0660 0.8653 -4.4628 3 198.7554279 89503 303461235 451036 a-Alanine, conf. II
451346.9888 2.2268 -4.2457 3 225.5540273 89503 303452520 442321 a-Alanine, conf. II
451348.4210 2.2265 -4.2457 3 225.5540273 89503 303452521 442322 a-Alanine, conf. II
451393.2184 26.1553 -3.7474 3 818.5096483 89503 303805624 795623 a-Alanine, conf. II
451393.2184 26.1553 -3.7474 3 818.5096483 89503 303805625 795624 a-Alanine, conf. II
451394.7510 3.7797 -4.2041 3 240.7902297 89503 303491733 481534 a-Alanine, conf. II
451448.3289 15.5068 -4.0862 3 290.5685321 89503 303532033 521834 a-Alanine, conf. II
451488.3334 15.9178 -4.5580 3 674.2491495 89503 303822359 812458 a-Alanine, conf. II
451488.3347 15.9178 -3.2098 3 674.2491495 89503 303822459 812458 a-Alanine, conf. II
451488.3366 15.9178 -3.2098 3 674.2491495 89503 303822359 812358 a-Alanine, conf. II
451488.3379 15.9178 -4.5580 3 674.2491495 89503 303822459 812358 a-Alanine, conf. II
451509.8628 5.4587 -4.0562 3 283.1016315 89503 303522231 512032 a-Alanine, conf. II
451564.8134 3.3920 -3.9987 3 352.6466327 89503 303543519 533420 a-Alanine, conf. II
451564.8134 3.3920 -3.9987 3 352.6466327 89503 303543520 533419 a-Alanine, conf. II
451626.5441 8.8793 -3.8189 3 335.8746285 89503 3034744 3 4643 4 a-Alanine, conf. II
451626.5441 8.8793 -3.8189 3 335.8746285 89503 3034744 4 4643 3 a-Alanine, conf. II
451673.4737 26.1463 -3.7160 3 810.6734483 89503 303805525 795524 a-Alanine, conf. II
451673.4737 26.1463 -3.7160 3 810.6734483 89503 303805526 795525 a-Alanine, conf. II
451703.4239 2.6769 -4.3236 3 212.0343261 89503 303432617 422418 a-Alanine, conf. II
451703.4353 2.6769 -4.3236 3 212.0343261 89503 303432618 422419 a-Alanine, conf. II
451721.9915 18.9479 -3.2303 3 696.2146513 89503 303851966 841965 a-Alanine, conf. II
451721.9915 18.9479 -4.4946 3 696.2146513 89503 303851966 842065 a-Alanine, conf. II
451721.9915 18.9479 -4.4946 3 696.2146513 89503 303852066 841965 a-Alanine, conf. II
451721.9915 18.9479 -3.2303 3 696.2146513 89503 303852066 842065 a-Alanine, conf. II
451775.1560 97.9731 -3.2294 3 737.0617573 89503 30395 590 94 589 a-Alanine, conf. II
451775.1560 97.9731 -4.3518 3 737.0617573 89503 30395 590 94 689 a-Alanine, conf. II
451775.1560 97.9731 -4.3518 3 737.0617573 89503 30395 690 94 589 a-Alanine, conf. II
451775.1560 97.9731 -3.2294 3 737.0617573 89503 30395 690 94 689 a-Alanine, conf. II
451792.5101 31.7647 -3.2405 3 721.9811543 89503 303901278 891277 a-Alanine, conf. II
451792.5101 31.7647 -4.4171 3 721.9811543 89503 303901278 891377 a-Alanine, conf. II
451792.5101 31.7647 -4.4171 3 721.9811543 89503 303901378 891277 a-Alanine, conf. II
451792.5101 31.7647 -3.2405 3 721.9811543 89503 303901378 891377 a-Alanine, conf. II
451831.3316 26.2007 -3.3740 3 708.2926477 89503 303794237 784236 a-Alanine, conf. II
451831.3316 26.2007 -3.3740 3 708.2926477 89503 303794238 784237 a-Alanine, conf. II
451863.1362 36.4866 -3.1761 3 635.5314465 89503 303773344 763343 a-Alanine, conf. II
451931.6189 28.6105 -3.2439 3 662.8471471 89503 303783643 773642 a-Alanine, conf. II
451939.6744 28.6878 -3.2439 3 662.8473471 89503 303783642 773641 a-Alanine, conf. II
451950.5439 14.8523 -3.1415 3 625.1323465 89503 303773048 763047 a-Alanine, conf. II
451971.5949 26.1513 -3.6856 3 802.9920483 89503 303805426 795425 a-Alanine, conf. II
451971.5949 26.1513 -3.6856 3 802.9920483 89503 303805427 795426 a-Alanine, conf. II
452225.8478170.9876 -3.2169 3 743.0927591 89503 30398 197 97 196 a-Alanine, conf. II
452225.8478170.9876 -4.3167 3 743.0927591 89503 30398 197 97 296 a-Alanine, conf. II
452225.8478170.9876 -4.3167 3 743.0927591 89503 30398 297 97 196 a-Alanine, conf. II
452225.8478170.9876 -3.2169 3 743.0927591 89503 30398 297 97 296 a-Alanine, conf. II
452289.1892 26.1715 -3.6562 3 795.4661483 89503 303805327 795326 a-Alanine, conf. II
452289.1892 26.1715 -3.6562 3 795.4661483 89503 303805328 795327 a-Alanine, conf. II
452376.7087 22.6526 -3.2415 3 714.4159531 89503 303881573 871572 a-Alanine, conf. II
452376.7087 22.6526 -4.4496 3 714.4159531 89503 303881573 871672 a-Alanine, conf. II
452376.7087 22.6526 -4.4496 3 714.4159531 89503 303881673 871572 a-Alanine, conf. II
452376.7087 22.6526 -3.2415 3 714.4159531 89503 303881673 871672 a-Alanine, conf. II
452394.4973 5.1373 -3.9077 3 343.4472309 89503 303513912 503813 a-Alanine, conf. II
452394.4973 5.1373 -3.9077 3 343.4472309 89503 303513913 503812 a-Alanine, conf. II
452465.6347 61.7481 -3.2392 3 734.0328561 89503 30393 885 92 884 a-Alanine, conf. II
452465.6347 61.7481 -4.3819 3 734.0328561 89503 30393 885 92 984 a-Alanine, conf. II
452465.6347 61.7481 -4.3819 3 734.0328561 89503 30393 985 92 884 a-Alanine, conf. II
452465.6347 61.7481 -3.2392 3 734.0328561 89503 30393 985 92 984 a-Alanine, conf. II
452586.5041 2.5101 -4.0798 3 275.5083309 89503 303512329 502130 a-Alanine, conf. II
452588.3055 17.0993 -4.5423 3 683.8659501 89503 303832261 822360 a-Alanine, conf. II
452588.3056 17.0993 -3.2203 3 683.8659501 89503 303832361 822360 a-Alanine, conf. II
452588.3057 17.0993 -3.2203 3 683.8659501 89503 303832261 822260 a-Alanine, conf. II
452588.3057 17.0993 -4.5423 3 683.8659501 89503 303832361 822260 a-Alanine, conf. II
452613.7397 26.6391 -3.3530 3 702.7424477 89503 303794139 784138 a-Alanine, conf. II
452613.7400 26.6391 -3.3530 3 702.7424477 89503 303794138 784137 a-Alanine, conf. II
452624.8226 3.2569 -4.0296 3 358.2444333 89503 303553421 543322 a-Alanine, conf. II
452624.8226 3.2569 -4.0296 3 358.2444333 89503 303553422 543321 a-Alanine, conf. II
452628.0732 26.2084 -3.6277 3 788.0970483 89503 303805228 795227 a-Alanine, conf. II
452628.0732 26.2084 -3.6277 3 788.0970483 89503 303805229 795228 a-Alanine, conf. II
452745.5497 28.3377 -3.1609 3 631.8609465 89503 303773246 763245 a-Alanine, conf. II
452867.5935 18.4658 -3.9567 3 340.5126345 89503 303572334 562135 a-Alanine, conf. II
452915.4522 7.9982 -3.8368 3 338.6114291 89503 3034843 5 4742 6 a-Alanine, conf. II
452915.4522 7.9982 -3.8368 3 338.6114291 89503 3034843 6 4742 5 a-Alanine, conf. II
452965.8790 11.5887 -3.1572 3 636.6932471 89503 303782950 772949 a-Alanine, conf. II
452990.3106 26.2639 -3.6001 3 780.8857483 89503 303805129 795128 a-Alanine, conf. II
452990.3106 26.2639 -3.6001 3 780.8857483 89503 303805130 795129 a-Alanine, conf. II
452993.5272 19.8271 -3.2382 3 704.8598519 89503 303861868 851867 a-Alanine, conf. II
452993.5272 19.8271 -4.4859 3 704.8598519 89503 303861868 851967 a-Alanine, conf. II
452993.5272 19.8271 -4.4859 3 704.8598519 89503 303861968 851867 a-Alanine, conf. II
452993.5272 19.8271 -3.2382 3 704.8598519 89503 303861968 851967 a-Alanine, conf. II
453021.2424115.2173 -3.2314 3 742.6465579 89503 30396 492 95 491 a-Alanine, conf. II
453021.2424115.2173 -4.3476 3 742.6465579 89503 30396 492 95 591 a-Alanine, conf. II
453021.2424115.2173 -4.3476 3 742.6465579 89503 30396 592 95 491 a-Alanine, conf. II
453021.2424115.2173 -3.2314 3 742.6465579 89503 30396 592 95 591 a-Alanine, conf. II
453031.3678 2.0567 -4.1576 3 249.3400291 89503 303482424 472225 a-Alanine, conf. II
453038.4886 12.2034 -3.1744 3 647.9049477 89503 303792852 782851 a-Alanine, conf. II
453093.5167 37.8958 -3.2452 3 729.0723549 89503 303911180 901179 a-Alanine, conf. II
453093.5167 37.8958 -4.4122 3 729.0723549 89503 303911180 901279 a-Alanine, conf. II
453093.5167 37.8958 -4.4122 3 729.0723549 89503 303911280 901179 a-Alanine, conf. II
453093.5167 37.8958 -3.2452 3 729.0723549 89503 303911280 901279 a-Alanine, conf. II
453159.3304 12.2668 -3.1741 3 647.8970477 89503 303792752 782751 a-Alanine, conf. II
453177.9858 13.4206 -3.0758 3 594.1347453 89503 303752946 742945 a-Alanine, conf. II
453191.1333 41.4920 -3.0834 3 596.3269453 89503 303753045 743044 a-Alanine, conf. II
453254.2990 2.0368 -4.1572 3 249.3323291 89503 303482425 472226 a-Alanine, conf. II
453290.0365 7.5542 -4.0725 3 280.5847315 89503 303522132 511933 a-Alanine, conf. II
453372.7441 13.2424 -4.6379 3 658.7305483 89503 303802654 792753 a-Alanine, conf. II
453378.2599 26.3401 -3.5732 3 773.8335483 89503 303805030 795029 a-Alanine, conf. II
453378.2599 26.3401 -3.5732 3 773.8335483 89503 303805031 795030 a-Alanine, conf. II
453379.8887 13.2518 -3.1897 3 658.7305483 89503 303802754 792753 a-Alanine, conf. II
453388.2701 13.2617 -3.1897 3 658.7300483 89503 303802654 792653 a-Alanine, conf. II
453395.4148 13.2716 -4.6379 3 658.7300483 89503 303802754 792653 a-Alanine, conf. II
453395.4778 22.2341 -3.1480 3 628.4495465 89503 303773147 763146 a-Alanine, conf. II
453431.6115196.4945 -3.2174 3 747.8196597 89503 30399 099 98 098 a-Alanine, conf. II
453431.6115196.4945 -4.3122 3 747.8196597 89503 30399 099 98 198 a-Alanine, conf. II
453431.6115196.4945 -4.3122 3 747.8196597 89503 30399 199 98 098 a-Alanine, conf. II
453431.6115196.4945 -3.2174 3 747.8196597 89503 30399 199 98 198 a-Alanine, conf. II
453480.6427 4.6813 -4.6067 3 184.6893231 89503 3033829 9 372710 a-Alanine, conf. II
453480.6427 4.6813 -4.6067 3 184.6893231 89503 303382910 372711 a-Alanine, conf. II
453484.2363 27.1809 -3.3324 3 697.3775477 89503 303794040 784039 a-Alanine, conf. II
453484.2390 27.1809 -3.3324 3 697.3775477 89503 303794039 784038 a-Alanine, conf. II
453566.3695 30.1701 -3.2252 3 658.4884471 89503 303783544 773543 a-Alanine, conf. II
453597.3846 3.2928 -4.0634 3 364.2364339 89503 303563323 553224 a-Alanine, conf. II
453597.3846 3.2928 -4.0634 3 364.2364339 89503 303563324 553223 a-Alanine, conf. II
453618.0060 4.5484 -3.9313 3 347.7551315 89503 303523814 513715 a-Alanine, conf. II
453618.0060 4.5484 -3.9313 3 347.7551315 89503 303523815 513714 a-Alanine, conf. II
453623.5539 30.6696 -3.2250 3 658.4900471 89503 303783543 773542 a-Alanine, conf. II
453683.4843 25.2701 -3.2475 3 722.1674537 89503 303891475 881474 a-Alanine, conf. II
453683.4843 25.2701 -4.4438 3 722.1674537 89503 303891475 881574 a-Alanine, conf. II
453683.4843 25.2701 -4.4438 3 722.1674537 89503 303891575 881474 a-Alanine, conf. II
453683.4843 25.2701 -3.2475 3 722.1674537 89503 303891575 881574 a-Alanine, conf. II
453738.6610 73.9341 -3.2423 3 740.2686567 89503 30394 787 93 786 a-Alanine, conf. II
453738.6610 73.9341 -4.3777 3 740.2686567 89503 30394 787 93 886 a-Alanine, conf. II
453738.6610 73.9341 -4.3777 3 740.2686567 89503 30394 887 93 786 a-Alanine, conf. II
453738.6610 73.9341 -3.2423 3 740.2686567 89503 30394 887 93 886 a-Alanine, conf. II
453757.7949 18.1858 -3.2300 3 693.2372507 89503 303842163 832162 a-Alanine, conf. II
453757.7949 18.1858 -4.5292 3 693.2372507 89503 303842163 832262 a-Alanine, conf. II
453757.7949 18.1858 -4.5292 3 693.2372507 89503 303842263 832162 a-Alanine, conf. II
453757.7949 18.1858 -3.2300 3 693.2372507 89503 303842263 832262 a-Alanine, conf. II
453794.6331 26.4397 -3.5472 3 766.9418483 89503 303804931 794930 a-Alanine, conf. II
453794.6331 26.4397 -3.5472 3 766.9418483 89503 303804932 794931 a-Alanine, conf. II
453910.2580 29.5354 -4.6050 3 1000.2744489 89503 3038174 7 8074 6 a-Alanine, conf. II
453910.2580 29.5354 -4.6050 3 1000.2744489 89503 3038174 8 8074 7 a-Alanine, conf. II
454022.5544 29.3707 -4.5277 3 989.7518489 89503 3038173 8 8073 7 a-Alanine, conf. II
454022.5544 29.3707 -4.5277 3 989.7518489 89503 3038173 9 8073 8 a-Alanine, conf. II
454048.0051 14.4490 -4.6092 3 669.2156489 89503 303812556 802655 a-Alanine, conf. II
454048.3630 14.4497 -3.2033 3 669.2156489 89503 303812656 802655 a-Alanine, conf. II
454048.8216 14.4506 -3.2033 3 669.2155489 89503 303812556 802555 a-Alanine, conf. II
454049.1795 14.4513 -4.6092 3 669.2155489 89503 303812656 802555 a-Alanine, conf. II
454076.4490 5.4044 -4.1698 3 252.9561303 89503 303501733 491534 a-Alanine, conf. II
454140.3672 29.2135 -4.4575 3 979.3758489 89503 3038172 9 8072 8 a-Alanine, conf. II
454140.3672 29.2135 -4.4575 3 979.3758489 89503 303817210 8072 9 a-Alanine, conf. II
454196.3023 7.1671 -3.8556 3 341.6963297 89503 3034942 7 4841 8 a-Alanine, conf. II
454196.3023 7.1671 -3.8556 3 341.6963297 89503 3034942 8 4841 7 a-Alanine, conf. II
454234.8999 12.0026 -3.1544 3 636.6029471 89503 303782850 772849 a-Alanine, conf. II
454242.5714 26.5659 -3.5219 3 760.2122483 89503 303804832 794831 a-Alanine, conf. II
454242.5714 26.5659 -3.5219 3 760.2122483 89503 303804833 794832 a-Alanine, conf. II
454256.5047134.5910 -3.2331 3 748.0278585 89503 30397 394 96 393 a-Alanine, conf. II
454256.5047134.5910 -4.3435 3 748.0278585 89503 30397 394 96 493 a-Alanine, conf. II
454256.5047134.5910 -4.3435 3 748.0278585 89503 30397 494 96 393 a-Alanine, conf. II
454256.5047134.5910 -3.2331 3 748.0278585 89503 30397 494 96 493 a-Alanine, conf. II
454264.0121 29.0637 -4.3931 3 969.1467489 89503 303817110 8071 9 a-Alanine, conf. II
454264.0121 29.0637 -4.3931 3 969.1467489 89503 303817111 807110 a-Alanine, conf. II
454281.2610 20.8369 -3.2456 3 713.2877525 89503 303871770 861769 a-Alanine, conf. II
454281.2610 20.8369 -4.4782 3 713.2877525 89503 303871770 861869 a-Alanine, conf. II
454281.2610 20.8369 -4.4782 3 713.2877525 89503 303871870 861769 a-Alanine, conf. II
454281.2610 20.8369 -3.2456 3 713.2877525 89503 303871870 861869 a-Alanine, conf. II
454388.1348 45.5682 -3.2496 3 735.9599555 89503 303921082 911081 a-Alanine, conf. II
454388.1348 45.5682 -4.4077 3 735.9599555 89503 303921082 911181 a-Alanine, conf. II
454388.1348 45.5682 -4.4077 3 735.9599555 89503 303921182 911081 a-Alanine, conf. II
454388.1348 45.5682 -3.2496 3 735.9599555 89503 303921182 911181 a-Alanine, conf. II
454393.8293 28.9214 -4.3333 3 959.0647489 89503 303817011 807010 a-Alanine, conf. II
454393.8293 28.9214 -4.3333 3 959.0647489 89503 303817012 807011 a-Alanine, conf. II
454448.9759 3.4892 -4.1008 3 370.6357345 89503 303573226 563125 a-Alanine, conf. II
454448.9769 3.4892 -4.1008 3 370.6357345 89503 303573225 563126 a-Alanine, conf. II
454461.1357 27.8586 -3.3124 3 692.2042477 89503 303793941 783940 a-Alanine, conf. II
454461.1645 27.8590 -3.3124 3 692.2042477 89503 303793940 783939 a-Alanine, conf. II
454530.1865 28.7868 -4.2775 3 949.1302489 89503 303816912 806911 a-Alanine, conf. II
454530.1865 28.7868 -4.2775 3 949.1302489 89503 303816913 806912 a-Alanine, conf. II
454620.0599 4.5241 -4.3219 3 400.7840369 89503 303612834 602733 a-Alanine, conf. II
454631.7455 10.6213 -3.7953 3 339.8759279 89503 3034646 0 4545 1 a-Alanine, conf. II
454631.7455 10.6213 -3.7953 3 339.8759279 89503 3034646 1 4545 0 a-Alanine, conf. II
454673.4814 28.6600 -4.2249 3 939.3433489 89503 303816813 806812 a-Alanine, conf. II
454673.4814 28.6600 -4.2249 3 939.3433489 89503 303816814 806813 a-Alanine, conf. II
454711.3028 5.0927 -4.1688 3 252.9568303 89503 303501833 491634 a-Alanine, conf. II
454725.7425 26.7229 -3.4974 3 753.6467483 89503 303804733 794732 a-Alanine, conf. II
454725.7425 26.7229 -3.4974 3 753.6467483 89503 303804734 794733 a-Alanine, conf. II
454811.4280 4.0552 -3.9565 3 352.4284321 89503 303533716 523617 a-Alanine, conf. II
454811.4280 4.0552 -3.9565 3 352.4284321 89503 303533717 523616 a-Alanine, conf. II
454824.1450 28.5412 -4.1753 3 929.7046489 89503 303816714 806713 a-Alanine, conf. II
454824.1450 28.5412 -4.1753 3 929.7046489 89503 303816715 806714 a-Alanine, conf. II
454859.4668 1.8187 -4.2945 3 225.6176291 89503 303481434 471235 a-Alanine, conf. II
454864.6340 1.8173 -4.2945 3 225.6176291 89503 303481534 471335 a-Alanine, conf. II
454932.5597 15.7280 -4.5869 3 679.3996495 89503 303822458 812557 a-Alanine, conf. II
454932.5746 15.7280 -3.2157 3 679.3996495 89503 303822558 812557 a-Alanine, conf. II
454932.5952 15.7281 -3.2157 3 679.3996495 89503 303822458 812457 a-Alanine, conf. II
454932.6101 15.7281 -4.5869 3 679.3996495 89503 303822558 812457 a-Alanine, conf. II
454975.2486 19.1682 -3.2391 3 702.3735513 89503 303852065 842064 a-Alanine, conf. II
454975.2486 19.1682 -4.5182 3 702.3735513 89503 303852065 842164 a-Alanine, conf. II
454975.2486 19.1682 -4.5182 3 702.3735513 89503 303852165 842064 a-Alanine, conf. II
454975.2486 19.1682 -3.2391 3 702.3735513 89503 303852165 842164 a-Alanine, conf. II
454982.6450 28.4305 -4.1282 3 920.2142489 89503 303816615 806614 a-Alanine, conf. II
454982.6450 28.4305 -4.1282 3 920.2142489 89503 303816616 806615 a-Alanine, conf. II
454989.3819 29.0030 -3.2531 3 729.7121543 89503 303901377 891376 a-Alanine, conf. II
454989.3819 29.0030 -4.4385 3 729.7121543 89503 303901377 891476 a-Alanine, conf. II
454989.3819 29.0030 -4.4385 3 729.7121543 89503 303901477 891376 a-Alanine, conf. II
454989.3819 29.0030 -3.2531 3 729.7121543 89503 303901477 891476 a-Alanine, conf. II
455001.8521 87.9657 -3.2452 3 746.3015573 89503 30395 689 94 688 a-Alanine, conf. II
455001.8521 87.9657 -4.3737 3 746.3015573 89503 30395 689 94 788 a-Alanine, conf. II
455001.8521 87.9657 -4.3737 3 746.3015573 89503 30395 789 94 688 a-Alanine, conf. II
455001.8521 87.9657 -3.2452 3 746.3015573 89503 30395 789 94 788 a-Alanine, conf. II
455050.7754 3.8949 -4.4829 3 195.5401243 89503 303402812 392613 a-Alanine, conf. II
455050.7754 3.8949 -4.4829 3 195.5401243 89503 303402813 392614 a-Alanine, conf. II
455128.8043 3.8152 -4.1428 3 377.4596351 89503 303583128 573027 a-Alanine, conf. II
455128.8483 3.8153 -4.1428 3 377.4596351 89503 303583127 573028 a-Alanine, conf. II
455149.4900 28.3281 -4.0834 3 910.8725489 89503 303816516 806515 a-Alanine, conf. II
455149.4900 28.3281 -4.0834 3 910.8725489 89503 303816517 806516 a-Alanine, conf. II
455173.9078 10.9848 -4.1134 3 277.8587315 89503 303521933 511734 a-Alanine, conf. II
455197.2379 5.4646 -4.3210 3 400.7694369 89503 303612833 602734 a-Alanine, conf. II
455242.9182 51.7606 -3.1178 3 613.9262459 89503 303763145 753144 a-Alanine, conf. II
455248.4680 26.9156 -3.4735 3 747.2472483 89503 303804634 794633 a-Alanine, conf. II
455248.4680 26.9156 -3.4735 3 747.2472483 89503 303804635 794634 a-Alanine, conf. II
455325.2343 28.2344 -4.0406 3 901.6800489 89503 303816417 806416 a-Alanine, conf. II
455325.2343 28.2344 -4.0406 3 901.6800489 89503 303816418 806417 a-Alanine, conf. II
455466.2874 6.3900 -3.8757 3 345.1322303 89503 3035041 9 494010 a-Alanine, conf. II
455466.2874 6.3900 -3.8757 3 345.1322303 89503 303504110 4940 9 a-Alanine, conf. II
455480.8516156.2272 -3.2345 3 753.2049591 89503 30398 296 97 295 a-Alanine, conf. II
455480.8516156.2272 -4.3393 3 753.2049591 89503 30398 296 97 395 a-Alanine, conf. II
455480.8516156.2272 -4.3393 3 753.2049591 89503 30398 396 97 295 a-Alanine, conf. II
455480.8516156.2272 -3.2345 3 753.2049591 89503 30398 396 97 395 a-Alanine, conf. II
455484.4580 31.7910 -3.2066 3 654.3796471 89503 303783445 773444 a-Alanine, conf. II
455510.4829 28.1495 -3.9996 3 892.6370489 89503 303816318 806317 a-Alanine, conf. II
455510.4829 28.1495 -3.9996 3 892.6370489 89503 303816319 806318 a-Alanine, conf. II
455554.4059 4.2256 -4.1911 3 384.7317357 89503 303593030 582929 a-Alanine, conf. II
455555.7869 4.2281 -4.1911 3 384.7316357 89503 303593029 582930 a-Alanine, conf. II
455566.2937 4.6310 -4.2486 3 392.4863363 89503 303602932 592831 a-Alanine, conf. II
455569.4211 28.7208 -3.2928 3 687.2301477 89503 303793842 783841 a-Alanine, conf. II
455569.6948 28.7240 -3.2928 3 687.2301477 89503 303793841 783840 a-Alanine, conf. II
455578.9257 22.1857 -3.2526 3 721.5020531 89503 303881672 871671 a-Alanine, conf. II
455578.9257 22.1857 -4.4715 3 721.5020531 89503 303881672 871771 a-Alanine, conf. II
455578.9257 22.1857 -4.4715 3 721.5020531 89503 303881772 871671 a-Alanine, conf. II
455578.9257 22.1857 -3.2526 3 721.5020531 89503 303881772 871771 a-Alanine, conf. II
455599.1817 4.6903 -4.2486 3 392.4855363 89503 303602931 592832 a-Alanine, conf. II
455675.1500 54.8716 -3.2536 3 742.6442561 89503 30393 984 92 983 a-Alanine, conf. II
455675.1500 54.8716 -4.4035 3 742.6442561 89503 30393 984 921083 a-Alanine, conf. II
455675.1500 54.8716 -4.4035 3 742.6442561 89503 303931084 92 983 a-Alanine, conf. II
455675.1500 54.8716 -3.2536 3 742.6442561 89503 303931084 921083 a-Alanine, conf. II
455704.5036 7.6176 -4.1395 3 265.3157309 89503 303511833 501634 a-Alanine, conf. II
455705.8980 28.0739 -3.9602 3 883.7441489 89503 303816219 806218 a-Alanine, conf. II
455705.8980 28.0739 -3.9602 3 883.7441489 89503 303816220 806219 a-Alanine, conf. II
455815.8936 27.1505 -3.4503 3 741.0162483 89503 303804535 794534 a-Alanine, conf. II
455815.8936 27.1505 -3.4503 3 741.0162483 89503 303804536 794535 a-Alanine, conf. II
455823.2160 23.1194 -4.0188 3 327.1754339 89503 303562234 552035 a-Alanine, conf. II
455834.4438 34.5290 -3.2059 3 654.3906471 89503 303783444 773443 a-Alanine, conf. II
455864.2914 2.2131 -4.2241 3 234.2144279 89503 303462521 452322 a-Alanine, conf. II
455868.2528 2.2124 -4.2241 3 234.2142279 89503 303462522 452323 a-Alanine, conf. II
455912.2058 28.0079 -3.9224 3 875.0016489 89503 303816120 806119 a-Alanine, conf. II
455912.2058 28.0079 -3.9224 3 875.0016489 89503 303816121 806120 a-Alanine, conf. II
455928.3204 9.6463 -3.8117 3 342.1163285 89503 3034745 2 4644 3 a-Alanine, conf. II
455928.3204 9.6463 -3.8117 3 342.1163285 89503 3034745 3 4644 2 a-Alanine, conf. II
455955.7098 17.0044 -4.5692 3 689.3092501 89503 303832360 822459 a-Alanine, conf. II
455955.7104 17.0044 -3.2270 3 689.3092501 89503 303832460 822459 a-Alanine, conf. II
455955.7111 17.0044 -3.2270 3 689.3092501 89503 303832360 822359 a-Alanine, conf. II
455955.7117 17.0044 -4.5692 3 689.3092501 89503 303832460 822359 a-Alanine, conf. II
455964.9308 3.6831 -3.9836 3 357.4729327 89503 303543618 533519 a-Alanine, conf. II
455964.9308 3.6831 -3.9836 3 357.4729327 89503 303543619 533518 a-Alanine, conf. II
456130.2049 27.9520 -3.8860 3 866.4101489 89503 303816021 806020 a-Alanine, conf. II
456130.2049 27.9520 -3.8860 3 866.4101489 89503 303816022 806021 a-Alanine, conf. II
456161.8062 3.1956 -4.3828 3 207.3852255 89503 303422715 412516 a-Alanine, conf. II
456161.8064 3.1956 -4.3828 3 207.3852255 89503 303422716 412517 a-Alanine, conf. II
456175.3944 10.4293 -4.4233 3 409.6255375 89503 303622735 612636 a-Alanine, conf. II
456225.8011 20.0786 -3.2476 3 711.2825519 89503 303861967 851966 a-Alanine, conf. II
456225.8011 20.0786 -4.5088 3 711.2825519 89503 303861967 852066 a-Alanine, conf. II
456225.8011 20.0786 -4.5088 3 711.2825519 89503 303862067 851966 a-Alanine, conf. II
456225.8011 20.0786 -3.2476 3 711.2825519 89503 303862067 852066 a-Alanine, conf. II
456254.7854103.9516 -3.2477 3 752.1313579 89503 30396 591 95 590 a-Alanine, conf. II
456254.7854103.9516 -4.3697 3 752.1313579 89503 30396 591 95 690 a-Alanine, conf. II
456254.7854103.9516 -4.3697 3 752.1313579 89503 30396 691 95 590 a-Alanine, conf. II
456254.7854103.9516 -3.2477 3 752.1313579 89503 30396 691 95 690 a-Alanine, conf. II
456292.0334 34.0704 -3.2583 3 737.0513549 89503 303911279 901278 a-Alanine, conf. II
456292.0334 34.0704 -4.4337 3 737.0513549 89503 303911279 901378 a-Alanine, conf. II
456292.0334 34.0704 -4.4337 3 737.0513549 89503 303911379 901278 a-Alanine, conf. II
456292.0334 34.0704 -3.2583 3 737.0513549 89503 303911379 901378 a-Alanine, conf. II
456360.7758 27.9068 -3.8509 3 857.9702489 89503 303815922 805921 a-Alanine, conf. II
456360.7758 27.9068 -3.8509 3 857.9702489 89503 303815923 805922 a-Alanine, conf. II
456434.2204 27.4357 -3.4277 3 734.9564483 89503 303804436 794435 a-Alanine, conf. II
456434.2204 27.4357 -3.4277 3 734.9564483 89503 303804437 794436 a-Alanine, conf. II
456462.5369 0.7500 -4.4029 3 210.3916285 89503 303471235 461036 a-Alanine, conf. II
456462.6243 0.7500 -4.4029 3 210.3916285 89503 303471335 461136 a-Alanine, conf. II
456525.1453 2.1465 -4.1406 3 258.6848297 89503 303492425 482226 a-Alanine, conf. II
456575.1005 2.6159 -4.2982 3 220.2593267 89503 303442618 432419 a-Alanine, conf. II
456575.1375 2.6159 -4.2982 3 220.2593267 89503 303442619 432420 a-Alanine, conf. II
456604.8923 27.8729 -3.8169 3 849.6825489 89503 303815823 805822 a-Alanine, conf. II
456604.8923 27.8729 -3.8169 3 849.6825489 89503 303815824 805823 a-Alanine, conf. II
456649.6006 9.9003 -3.0978 3 609.2511459 89503 303762947 752946 a-Alanine, conf. II
456694.2864180.2662 -3.2355 3 758.1774597 89503 30399 198 98 197 a-Alanine, conf. II
456694.2864180.2662 -4.3352 3 758.1774597 89503 30399 198 98 297 a-Alanine, conf. II
456694.2864180.2662 -4.3352 3 758.1774597 89503 30399 298 98 197 a-Alanine, conf. II
456694.2864180.2662 -3.2355 3 758.1774597 89503 30399 298 98 297 a-Alanine, conf. II
456698.9634 3.4681 -3.9735 3 342.3800345 89503 303572433 562234 a-Alanine, conf. II
456709.1867 13.8278 -3.1579 3 640.2078471 89503 303783049 773048 a-Alanine, conf. II
456721.7749 5.6735 -3.8970 3 348.9221309 89503 303514011 503912 a-Alanine, conf. II
456721.7749 5.6735 -3.8970 3 348.9221309 89503 303514012 503911 a-Alanine, conf. II
456786.1241 49.7466 -3.1526 3 632.0306465 89503 303773245 763244 a-Alanine, conf. II
456819.9239 1.3876 -4.5370 3 195.1537279 89503 303461036 45 837 a-Alanine, conf. II
456819.9248 1.3876 -4.5370 3 195.1537279 89503 303461136 45 937 a-Alanine, conf. II
456844.2272 29.8391 -3.2736 3 682.4651477 89503 303793743 783742 a-Alanine, conf. II
456846.5733 29.8643 -3.2736 3 682.4651477 89503 303793742 783741 a-Alanine, conf. II
456863.6345 27.8510 -3.7842 3 841.5477489 89503 303815724 805723 a-Alanine, conf. II
456863.6345 27.8510 -3.7842 3 841.5477489 89503 303815725 805724 a-Alanine, conf. II
456881.7597 24.1448 -3.2591 3 729.5056537 89503 303891574 881573 a-Alanine, conf. II
456881.7597 24.1448 -4.4655 3 729.5056537 89503 303891574 881673 a-Alanine, conf. II
456881.7597 24.1448 -4.4655 3 729.5056537 89503 303891674 881573 a-Alanine, conf. II
456881.7597 24.1448 -3.2591 3 729.5056537 89503 303891674 881673 a-Alanine, conf. II
456953.6172 65.8915 -3.2573 3 749.1254567 89503 30394 886 93 885 a-Alanine, conf. II
456953.6172 65.8915 -4.3994 3 749.1254567 89503 30394 886 93 985 a-Alanine, conf. II
456953.6172 65.8915 -4.3994 3 749.1254567 89503 30394 986 93 885 a-Alanine, conf. II
456953.6172 65.8915 -3.2573 3 749.1254567 89503 30394 986 93 985 a-Alanine, conf. II
457027.7882 2.1016 -4.1398 3 258.6674297 89503 303492426 482227 a-Alanine, conf. II
457035.9785 3.2142 -4.0675 3 285.5112315 89503 303522330 512131 a-Alanine, conf. II
457065.2281 3.4607 -4.0128 3 362.8959333 89503 303553520 543421 a-Alanine, conf. II
457065.2281 3.4607 -4.0128 3 362.8959333 89503 303553521 543420 a-Alanine, conf. II
457071.5430 18.2139 -4.5546 3 698.9626507 89503 303842262 832361 a-Alanine, conf. II
457071.5430 18.2139 -3.2376 3 698.9626507 89503 303842362 832361 a-Alanine, conf. II
457071.5431 18.2139 -3.2376 3 698.9626507 89503 303842262 832261 a-Alanine, conf. II
457071.5431 18.2139 -4.5546 3 698.9626507 89503 303842362 832261 a-Alanine, conf. II
457111.0271 27.7821 -3.4058 3 729.0711483 89503 303804337 794336 a-Alanine, conf. II
457111.0271 27.7820 -3.4058 3 729.0711483 89503 303804338 794337 a-Alanine, conf. II
457138.2049 27.8421 -3.7525 3 833.5664489 89503 303815625 805624 a-Alanine, conf. II
457138.2049 27.8421 -3.7525 3 833.5664489 89503 303815626 805625 a-Alanine, conf. II
457211.0724 12.2203 -3.1751 3 651.8026477 89503 303792951 782950 a-Alanine, conf. II
457219.9093 8.7191 -3.8289 3 344.7015291 89503 3034844 4 4743 5 a-Alanine, conf. II
457219.9093 8.7191 -3.8289 3 344.7015291 89503 3034844 5 4743 4 a-Alanine, conf. II
457299.5701 13.0853 -3.1921 3 663.0166483 89503 303802853 792852 a-Alanine, conf. II
457359.5477 13.1276 -3.1920 3 663.0128483 89503 303802753 792752 a-Alanine, conf. II
457429.9467 27.8472 -3.7218 3 825.7396489 89503 303815526 805525 a-Alanine, conf. II
457429.9467 27.8472 -3.7218 3 825.7396489 89503 303815527 805526 a-Alanine, conf. II
457437.7521 6.5393 -4.0134 3 331.0419339 89503 303562432 552233 a-Alanine, conf. II
457497.1752122.0106 -3.2499 3 757.7577585 89503 30397 493 96 492 a-Alanine, conf. II
457497.1752122.0106 -4.3658 3 757.7577585 89503 30397 493 96 592 a-Alanine, conf. II
457497.1752122.0106 -4.3658 3 757.7577585 89503 30397 593 96 492 a-Alanine, conf. II
457497.1752122.0106 -3.2499 3 757.7577585 89503 30397 593 96 592 a-Alanine, conf. II
457498.8301 21.0028 -3.2557 3 719.9701525 89503 303871869 861868 a-Alanine, conf. II
457498.8301 21.0028 -4.5007 3 719.9701525 89503 303871869 861968 a-Alanine, conf. II
457498.8301 21.0028 -4.5007 3 719.9701525 89503 303871969 861868 a-Alanine, conf. II
457498.8301 21.0028 -3.2557 3 719.9701525 89503 303871969 861968 a-Alanine, conf. II
457537.1568 32.0767 -3.1886 3 650.5396471 89503 303783346 773345 a-Alanine, conf. II
457589.5781 40.6276 -3.2632 3 744.1859555 89503 303921181 911180 a-Alanine, conf. II
457589.5781 40.6276 -4.4292 3 744.1859555 89503 303921181 911280 a-Alanine, conf. II
457589.5781 40.6276 -4.4292 3 744.1859555 89503 303921281 911180 a-Alanine, conf. II
457589.5781 40.6276 -3.2632 3 744.1859555 89503 303921281 911280 a-Alanine, conf. II
457667.3049 6.5494 -4.1367 3 265.3186309 89503 303511933 501734 a-Alanine, conf. II
457730.1788 14.2180 -3.2073 3 673.8536489 89503 303812755 802754 a-Alanine, conf. II
457734.0767 14.2235 -3.2073 3 673.8534489 89503 303812655 802654 a-Alanine, conf. II
457740.3669 27.8674 -3.6920 3 818.0681489 89503 303815427 805426 a-Alanine, conf. II
457740.3669 27.8674 -3.6920 3 818.0681489 89503 303815428 805427 a-Alanine, conf. II
457855.7311 28.2039 -3.3844 3 723.3641483 89503 303804239 794238 a-Alanine, conf. II
457855.7312 28.2039 -3.3844 3 723.3641483 89503 303804238 794237 a-Alanine, conf. II
457896.8971206.8557 -3.2362 3 762.9444603 89503 303A0 0A0 99 099 a-Alanine, conf. II
457896.8971206.8557 -4.3310 3 762.9444603 89503 303A0 0A0 99 199 a-Alanine, conf. II
457896.8971206.8557 -4.3310 3 762.9444603 89503 303A0 1A0 99 099 a-Alanine, conf. II
457896.8971206.8557 -3.2362 3 762.9444603 89503 303A0 1A0 99 199 a-Alanine, conf. II
457905.0385 12.4397 -3.1736 3 651.7546477 89503 303792851 782850 a-Alanine, conf. II
457958.0473 5.0284 -3.9196 3 353.0700315 89503 303523913 513814 a-Alanine, conf. II
457958.0473 5.0284 -3.9196 3 353.0700315 89503 303523914 513813 a-Alanine, conf. II
458071.1638 27.9044 -3.6632 3 810.5529489 89503 303815328 805327 a-Alanine, conf. II
458071.1638 27.9044 -3.6632 3 810.5529489 89503 303815329 805328 a-Alanine, conf. II
458094.0136 3.4094 -4.0447 3 368.7062339 89503 303563422 553323 a-Alanine, conf. II
458094.0136 3.4094 -4.0447 3 368.7062339 89503 303563423 553322 a-Alanine, conf. II
458186.0949 27.0130 -3.2653 3 737.3006543 89503 303901476 891475 a-Alanine, conf. II
458186.0949 27.0130 -4.4601 3 737.3006543 89503 303901476 891575 a-Alanine, conf. II
458186.0949 27.0130 -4.4601 3 737.3006543 89503 303901576 891475 a-Alanine, conf. II
458186.0949 27.0130 -3.2653 3 737.3006543 89503 303901576 891575 a-Alanine, conf. II
458222.8122 78.7199 -3.2607 3 755.4037573 89503 30395 788 94 787 a-Alanine, conf. II
458222.8122 78.7199 -4.3955 3 755.4037573 89503 30395 788 94 887 a-Alanine, conf. II
458222.8122 78.7199 -4.3955 3 755.4037573 89503 30395 888 94 787 a-Alanine, conf. II
458222.8122 78.7199 -3.2607 3 755.4037573 89503 30395 888 94 887 a-Alanine, conf. II
458250.8518 19.3202 -3.2475 3 708.3729513 89503 303852164 842163 a-Alanine, conf. II
458250.8518 19.3202 -4.5425 3 708.3729513 89503 303852164 842263 a-Alanine, conf. II
458250.8518 19.3202 -4.5425 3 708.3729513 89503 303852264 842163 a-Alanine, conf. II
458250.8518 19.3202 -3.2475 3 708.3729513 89503 303852264 842263 a-Alanine, conf. II
458334.5987 31.2995 -3.2548 3 677.9219477 89503 303793644 783643 a-Alanine, conf. II
458352.5125 31.4761 -3.2547 3 677.9224477 89503 303793643 783642 a-Alanine, conf. II
458424.2600 27.9598 -3.6352 3 803.1950489 89503 303815229 805228 a-Alanine, conf. II
458424.2600 27.9598 -3.6352 3 803.1950489 89503 303815230 805229 a-Alanine, conf. II
458458.6430 15.4901 -4.6180 3 684.3610495 89503 303822557 812656 a-Alanine, conf. II
458458.7982 15.4904 -3.2209 3 684.3610495 89503 303822657 812656 a-Alanine, conf. II
458459.0008 15.4909 -3.2209 3 684.3610495 89503 303822557 812556 a-Alanine, conf. II
458459.1561 15.4912 -4.6180 3 684.3610495 89503 303822657 812556 a-Alanine, conf. II
458504.6516 7.8415 -3.8472 3 347.6334297 89503 3034943 6 4842 7 a-Alanine, conf. II
458504.6516 7.8415 -3.8472 3 347.6334297 89503 3034943 7 4842 6 a-Alanine, conf. II
458680.2690 28.7209 -3.3636 3 717.8399483 89503 303804140 794139 a-Alanine, conf. II
458680.2696 28.7209 -3.3636 3 717.8399483 89503 303804139 794138 a-Alanine, conf. II
458728.8547142.2702 -3.2518 3 763.1801591 89503 30398 395 97 394 a-Alanine, conf. II
458728.8547142.2702 -4.3619 3 763.1801591 89503 30398 395 97 494 a-Alanine, conf. II
458728.8547142.2702 -4.3619 3 763.1801591 89503 30398 495 97 394 a-Alanine, conf. II
458728.8547142.2702 -3.2518 3 763.1801591 89503 30398 495 97 494 a-Alanine, conf. II
458786.5340 22.0928 -3.2633 3 728.4409531 89503 303881771 871770 a-Alanine, conf. II
458786.5340 22.0928 -4.4936 3 728.4409531 89503 303881771 871870 a-Alanine, conf. II
458786.5340 22.0928 -4.4936 3 728.4409531 89503 303881871 871770 a-Alanine, conf. II
458786.5340 22.0928 -3.2633 3 728.4409531 89503 303881871 871870 a-Alanine, conf. II
458801.8444 28.0357 -3.6080 3 795.9958489 89503 303815130 805129 a-Alanine, conf. II
458801.8444 28.0357 -3.6080 3 795.9958489 89503 303815131 805130 a-Alanine, conf. II
458802.8277 4.5780 -4.5620 3 191.8798237 89503 303392910 382711 a-Alanine, conf. II
458802.8277 4.5780 -4.5620 3 191.8798237 89503 303392911 382712 a-Alanine, conf. II
458880.5529 48.7844 -3.2678 3 751.1166561 89503 303931083 921082 a-Alanine, conf. II
458880.5529 48.7844 -4.4250 3 751.1166561 89503 303931083 921182 a-Alanine, conf. II
458880.5529 48.7844 -4.4250 3 751.1166561 89503 303931183 921082 a-Alanine, conf. II
458880.5529 48.7844 -3.2678 3 751.1166561 89503 303931183 921182 a-Alanine, conf. II
458952.6809 4.3979 -4.3545 3 412.6954375 89503 303622835 612734 a-Alanine, conf. II
458973.4821 20.6023 -3.1622 3 643.5732471 89503 303783148 773147 a-Alanine, conf. II
459024.6788 24.5778 -4.5384 3 406.7827375 89503 303622636 612537 a-Alanine, conf. II
459025.4014 3.5311 -4.0796 3 374.9152345 89503 303573325 563224 a-Alanine, conf. II
459025.4015 3.5311 -4.0796 3 374.9152345 89503 303573324 563225 a-Alanine, conf. II
459069.4362 28.4063 -3.1728 3 646.9629471 89503 303783247 773246 a-Alanine, conf. II
459144.7872 2.7714 -4.2519 3 237.6406297 89503 303491534 481335 a-Alanine, conf. II
459166.6702 2.7631 -4.2518 3 237.6406297 89503 303491634 481435 a-Alanine, conf. II
459168.9400 4.4710 -3.9438 3 357.5800321 89503 303533815 523716 a-Alanine, conf. II
459168.9400 4.4710 -3.9438 3 357.5800321 89503 303533816 523715 a-Alanine, conf. II
459206.4238 28.1346 -3.5817 3 788.9565489 89503 303815031 805030 a-Alanine, conf. II
459206.4238 28.1346 -3.5817 3 788.9565489 89503 303815032 805031 a-Alanine, conf. II
459277.7143 13.0557 -3.1218 3 624.4833465 89503 303772948 762947 a-Alanine, conf. II
459297.2008 43.8471 -3.1852 3 650.6039471 89503 303783345 773344 a-Alanine, conf. II
459303.6470 7.2214 -3.9474 3 353.8866351 89503 303582434 572235 a-Alanine, conf. II
459379.4821 16.8256 -4.5976 3 694.5745501 89503 303832459 822558 a-Alanine, conf. II
459379.4883 16.8256 -3.2332 3 694.5745501 89503 303832559 822558 a-Alanine, conf. II
459379.4970 16.8256 -3.2332 3 694.5745501 89503 303832459 822458 a-Alanine, conf. II
459379.5032 16.8256 -4.5976 3 694.5745501 89503 303832559 822458 a-Alanine, conf. II
459474.1142 20.3216 -3.2567 3 717.5498519 89503 303862066 852065 a-Alanine, conf. II
459474.1142 20.3216 -4.5323 3 717.5498519 89503 303862066 852165 a-Alanine, conf. II
459474.1142 20.3216 -4.5323 3 717.5498519 89503 303862166 852065 a-Alanine, conf. II
459474.1142 20.3216 -3.2567 3 717.5498519 89503 303862166 852165 a-Alanine, conf. II
459482.1943 93.4579 -3.2637 3 761.4787579 89503 30396 690 95 689 a-Alanine, conf. II
459482.1943 93.4579 -4.3918 3 761.4787579 89503 30396 690 95 789 a-Alanine, conf. II
459482.1943 93.4579 -4.3918 3 761.4787579 89503 30396 790 95 689 a-Alanine, conf. II
459482.1943 93.4579 -3.2637 3 761.4787579 89503 30396 790 95 789 a-Alanine, conf. II
459489.0761 31.0658 -3.2711 3 744.8889549 89503 303911378 901377 a-Alanine, conf. II
459489.0761 31.0658 -4.4552 3 744.8889549 89503 303911378 901477 a-Alanine, conf. II
459489.0761 31.0658 -4.4552 3 744.8889549 89503 303911478 901377 a-Alanine, conf. II
459489.0761 31.0658 -3.2711 3 744.8889549 89503 303911478 901477 a-Alanine, conf. II
459530.5759 31.1600 -4.5706 3 1015.4152495 89503 3038274 8 8174 7 a-Alanine, conf. II
459530.5759 31.1600 -4.5706 3 1015.4152495 89503 3038274 9 8174 8 a-Alanine, conf. II
459554.2752 7.2045 -4.0574 3 293.2314321 89503 303532232 522033 a-Alanine, conf. II
459565.5980 2.3036 -4.1251 3 268.2565303 89503 303502426 492227 a-Alanine, conf. II
459600.1385 29.3610 -3.3433 3 712.5041483 89503 303804041 794040 a-Alanine, conf. II
459600.1458 29.3611 -3.3433 3 712.5041483 89503 303804040 794039 a-Alanine, conf. II
459640.8883 28.2598 -3.5560 3 782.0787489 89503 303814932 804931 a-Alanine, conf. II
459640.8883 28.2598 -3.5560 3 782.0787489 89503 303814933 804932 a-Alanine, conf. II
459647.3609 31.0016 -4.5001 3 1004.8963495 89503 3038273 9 8173 8 a-Alanine, conf. II
459647.3609 31.0016 -4.5001 3 1004.8963495 89503 303827310 8173 9 a-Alanine, conf. II
459769.8693 30.8507 -4.4353 3 994.5243495 89503 303827210 8172 9 a-Alanine, conf. II
459769.8693 30.8507 -4.4353 3 994.5243495 89503 303827211 817210 a-Alanine, conf. II
459780.1496 7.0165 -3.8665 3 350.9147303 89503 3035042 8 4941 9 a-Alanine, conf. II
459780.1496 7.0165 -3.8665 3 350.9147303 89503 3035042 9 4941 8 a-Alanine, conf. II
459808.5858 7.3739 -4.0489 3 319.9171333 89503 303552431 542232 a-Alanine, conf. II
459821.4861 3.8047 -4.1183 3 381.5370351 89503 303583227 573126 a-Alanine, conf. II
459821.4895 3.8047 -4.1183 3 381.5370351 89503 303583226 573127 a-Alanine, conf. II
459898.4298 30.7074 -4.3752 3 984.2993495 89503 303827111 817110 a-Alanine, conf. II
459898.4298 30.7074 -4.3752 3 984.2993495 89503 303827112 817111 a-Alanine, conf. II
459949.7609164.8661 -3.2533 3 768.3981597 89503 30399 297 98 296 a-Alanine, conf. II
459949.7609164.8661 -4.3580 3 768.3981597 89503 30399 297 98 396 a-Alanine, conf. II
459949.7609164.8661 -4.3580 3 768.3981597 89503 30399 397 98 296 a-Alanine, conf. II
459949.7609164.8661 -3.2533 3 768.3981597 89503 30399 397 98 396 a-Alanine, conf. II
460033.3972 30.5719 -4.3190 3 974.2217495 89503 303827012 817011 a-Alanine, conf. II
460033.3972 30.5719 -4.3190 3 974.2217495 89503 303827013 817012 a-Alanine, conf. II
460083.0582 23.5735 -3.2705 3 736.6985537 89503 303891673 881672 a-Alanine, conf. II
460083.0582 23.5735 -4.4874 3 736.6985537 89503 303891673 881772 a-Alanine, conf. II
460083.0582 23.5735 -4.4874 3 736.6985537 89503 303891773 881672 a-Alanine, conf. II
460083.0582 23.5735 -3.2705 3 736.6985537 89503 303891773 881772 a-Alanine, conf. II
460096.3110 33.0820 -3.2361 3 673.6177477 89503 303793545 783544 a-Alanine, conf. II
460108.5948 28.4150 -3.5312 3 775.3641489 89503 303814833 804832 a-Alanine, conf. II
460108.5948 28.4150 -3.5312 3 775.3641489 89503 303814834 804833 a-Alanine, conf. II
460163.8121 58.6309 -3.2720 3 757.8439567 89503 30394 985 93 984 a-Alanine, conf. II
460163.8121 58.6309 -4.4211 3 757.8439567 89503 30394 985 931084 a-Alanine, conf. II
460163.8121 58.6309 -4.4211 3 757.8439567 89503 303941085 93 984 a-Alanine, conf. II
460163.8121 58.6309 -3.2720 3 757.8439567 89503 303941085 931084 a-Alanine, conf. II
460175.1546 30.4443 -4.2662 3 964.2917495 89503 303826913 816912 a-Alanine, conf. II
460175.1546 30.4443 -4.2662 3 964.2917495 89503 303826914 816913 a-Alanine, conf. II
460188.9148 6.4083 -4.3526 3 412.6644375 89503 303622834 612735 a-Alanine, conf. II
460216.1606 34.1533 -3.2358 3 673.6212477 89503 303793544 783543 a-Alanine, conf. II
460228.8153 10.4541 -3.8051 3 348.5052285 89503 3034746 1 4645 2 a-Alanine, conf. II
460228.8153 10.4541 -3.8051 3 348.5052285 89503 3034746 2 4645 1 a-Alanine, conf. II
460255.4659 2.2173 -4.2040 3 243.0829285 89503 303472522 462323 a-Alanine, conf. II
460257.8298 3.7974 -4.4480 3 203.1336249 89503 303412813 402614 a-Alanine, conf. II
460257.8298 3.7974 -4.4480 3 203.1336249 89503 303412814 402615 a-Alanine, conf. II
460265.9985 2.2157 -4.2039 3 243.0826285 89503 303472523 462324 a-Alanine, conf. II
460324.1167 30.3247 -4.2162 3 954.5096495 89503 303826814 816813 a-Alanine, conf. II
460324.1167 30.3247 -4.2162 3 954.5096495 89503 303826815 816814 a-Alanine, conf. II
460342.5953 33.5855 -3.0924 3 611.4437459 89503 303763046 753045 a-Alanine, conf. II
460346.3255 4.0243 -3.9697 3 362.4577327 89503 303543717 533618 a-Alanine, conf. II
460346.3255 4.0243 -3.9697 3 362.4577327 89503 303543718 533617 a-Alanine, conf. II
460423.9666 4.1926 -4.1621 3 388.5907357 89503 303593129 583028 a-Alanine, conf. II
460424.0919 4.1928 -4.1621 3 388.5906357 89503 303593128 583029 a-Alanine, conf. II
460425.1838 18.1414 -4.5811 3 704.5182507 89503 303842361 832460 a-Alanine, conf. II
460425.1841 18.1414 -3.2447 3 704.5182507 89503 303842461 832460 a-Alanine, conf. II
460425.1844 18.1414 -3.2447 3 704.5182507 89503 303842361 832360 a-Alanine, conf. II
460425.1846 18.1414 -4.5811 3 704.5182507 89503 303842461 832360 a-Alanine, conf. II
460480.7331 30.2133 -4.1688 3 944.8759495 89503 303826715 816714 a-Alanine, conf. II
460480.7331 30.2133 -4.1688 3 944.8759495 89503 303826716 816715 a-Alanine, conf. II
460545.2000 5.0131 -4.2740 3 404.1115369 89503 303612933 602832 a-Alanine, conf. II
460546.3322 7.9528 -4.1077 3 277.8692315 89503 303522033 511834 a-Alanine, conf. II
460613.4759 28.6049 -3.5070 3 768.8147489 89503 303814734 804733 a-Alanine, conf. II
460613.4759 28.6049 -3.5070 3 768.8147489 89503 303814735 804734 a-Alanine, conf. II
460623.3453 5.1610 -4.2739 3 404.1095369 89503 303612932 602833 a-Alanine, conf. II
460636.0582 30.1647 -3.3235 3 707.3634483 89503 303803942 793941 a-Alanine, conf. II
460636.1306 30.1656 -3.3235 3 707.3634483 89503 303803941 793940 a-Alanine, conf. II
460645.4919 30.1104 -4.1237 3 935.3908495 89503 303826616 816615 a-Alanine, conf. II
460645.4919 30.1104 -4.1237 3 935.3908495 89503 303826617 816616 a-Alanine, conf. II
460649.8796 2.1857 -4.1234 3 268.2188303 89503 303502427 492228 a-Alanine, conf. II
460727.7139 21.2606 -3.2655 3 726.5005525 89503 303871968 861967 a-Alanine, conf. II
460727.7139 21.2606 -4.5236 3 726.5005525 89503 303871968 862067 a-Alanine, conf. II
460727.7139 21.2606 -4.5236 3 726.5005525 89503 303872068 861967 a-Alanine, conf. II
460727.7139 21.2606 -3.2655 3 726.5005525 89503 303872068 862067 a-Alanine, conf. II
460731.3782110.2173 -3.2664 3 767.3503585 89503 30397 592 96 591 a-Alanine, conf. II
460731.3782110.2173 -4.3881 3 767.3503585 89503 30397 592 96 691 a-Alanine, conf. II
460731.3782110.2173 -4.3881 3 767.3503585 89503 30397 692 96 591 a-Alanine, conf. II
460731.3782110.2173 -3.2664 3 767.3503585 89503 30397 692 96 691 a-Alanine, conf. II
460735.2682 4.6427 -4.2128 3 396.1023363 89503 303603031 592930 a-Alanine, conf. II
460738.8678 4.6498 -4.2128 3 396.1022363 89503 303603030 592931 a-Alanine, conf. II
460788.4656 36.5181 -3.2766 3 752.2715555 89503 303921280 911279 a-Alanine, conf. II
460788.4656 36.5181 -4.4508 3 752.2715555 89503 303921280 911379 a-Alanine, conf. II
460788.4656 36.5181 -4.4508 3 752.2715555 89503 303921380 911279 a-Alanine, conf. II
460788.4656 36.5181 -3.2766 3 752.2715555 89503 303921380 911379 a-Alanine, conf. II
460818.9243 30.0162 -4.0805 3 926.0547495 89503 303826517 816516 a-Alanine, conf. II
460818.9243 30.0162 -4.0805 3 926.0547495 89503 303826518 816517 a-Alanine, conf. II
461001.6095 29.9309 -4.0392 3 916.8680495 89503 303826418 816417 a-Alanine, conf. II
461001.6095 29.9309 -4.0392 3 916.8680495 89503 303826419 816418 a-Alanine, conf. II
461043.3134 6.2499 -3.8870 3 354.5483309 89503 303514110 504011 a-Alanine, conf. II
461043.3134 6.2499 -3.8870 3 354.5483309 89503 303514111 504010 a-Alanine, conf. II
461159.9239189.9418 -3.2545 3 773.4111603 89503 303A0 199 99 198 a-Alanine, conf. II
461159.9239189.9418 -4.3541 3 773.4111603 89503 303A0 199 99 298 a-Alanine, conf. II
461159.9239189.9418 -4.3541 3 773.4111603 89503 303A0 299 99 198 a-Alanine, conf. II
461159.9239189.9418 -3.2545 3 773.4111603 89503 303A0 299 99 298 a-Alanine, conf. II
461160.1827 28.8354 -3.4835 3 762.4326489 89503 303814635 804634 a-Alanine, conf. II
461160.1827 28.8354 -3.4835 3 762.4326489 89503 303814636 804635 a-Alanine, conf. II
461194.1799 29.8550 -3.9995 3 907.8312495 89503 303826319 816318 a-Alanine, conf. II
461194.1799 29.8550 -3.9995 3 907.8312495 89503 303826320 816319 a-Alanine, conf. II
461203.5639 3.1128 -4.3544 3 215.3900261 89503 303432716 422517 a-Alanine, conf. II
461203.5646 3.1128 -4.3544 3 215.3900261 89503 303432717 422518 a-Alanine, conf. II
461235.2417 13.3859 -3.1754 3 655.4420477 89503 303793050 783049 a-Alanine, conf. II
461369.4055 2.5647 -4.2745 3 228.6872273 89503 303452619 442420 a-Alanine, conf. II
461369.5210 2.5647 -4.2745 3 228.6872273 89503 303452620 442421 a-Alanine, conf. II
461383.9345 25.7296 -3.2773 3 744.7455543 89503 303901575 891574 a-Alanine, conf. II
461383.9345 25.7296 -4.4818 3 744.7455543 89503 303901575 891674 a-Alanine, conf. II
461383.9345 25.7296 -4.4818 3 744.7455543 89503 303901675 891574 a-Alanine, conf. II
461383.9345 25.7296 -3.2773 3 744.7455543 89503 303901675 891674 a-Alanine, conf. II
461397.3284 29.7889 -3.9613 3 898.9448495 89503 303826220 816219 a-Alanine, conf. II
461397.3284 29.7889 -3.9613 3 898.9448495 89503 303826221 816220 a-Alanine, conf. II
461429.2141 13.0109 -3.1934 3 667.0535483 89503 303802952 792951 a-Alanine, conf. II
461438.4673 70.2546 -3.2759 3 764.3678573 89503 30395 887 94 886 a-Alanine, conf. II
461438.4673 70.2546 -4.4174 3 764.3678573 89503 30395 887 94 986 a-Alanine, conf. II
461438.4673 70.2546 -4.4174 3 764.3678573 89503 30395 987 94 886 a-Alanine, conf. II
461438.4673 70.2546 -3.2759 3 764.3678573 89503 30395 987 94 986 a-Alanine, conf. II
461462.3032 1.1050 -4.3499 3 222.2479291 89503 303481335 471136 a-Alanine, conf. II
461462.7555 1.1049 -4.3499 3 222.2479291 89503 303481435 471236 a-Alanine, conf. II
461479.3584 3.7165 -3.9975 3 367.7092333 89503 303553619 543520 a-Alanine, conf. II
461479.3584 3.7165 -3.9975 3 367.7092333 89503 303553620 543519 a-Alanine, conf. II
461522.5861 9.4802 -3.8218 3 350.9393291 89503 3034845 3 4744 4 a-Alanine, conf. II
461522.5861 9.4802 -3.8218 3 350.9393291 89503 3034845 4 4744 3 a-Alanine, conf. II
461555.1348 19.3773 -4.5677 3 714.2089513 89503 303852263 842362 a-Alanine, conf. II
461555.1348 19.3773 -3.2554 3 714.2089513 89503 303852363 842362 a-Alanine, conf. II
461555.1349 19.3773 -3.2554 3 714.2089513 89503 303852263 842262 a-Alanine, conf. II
461555.1349 19.3773 -4.5677 3 714.2089513 89503 303852363 842262 a-Alanine, conf. II
461582.1006 14.0249 -3.2103 3 678.2705489 89503 303812854 802853 a-Alanine, conf. II
461611.3270 14.0517 -3.2102 3 678.2686489 89503 303812754 802753 a-Alanine, conf. II
461611.8153 29.7329 -3.9246 3 890.2092495 89503 303826121 816120 a-Alanine, conf. II
461611.8153 29.7329 -3.9246 3 890.2092495 89503 303826122 816121 a-Alanine, conf. II
461693.5138 14.8683 -3.1456 3 639.8031471 89503 303782949 772948 a-Alanine, conf. II
461754.2775 29.1142 -3.4606 3 756.2206489 89503 303814536 804535 a-Alanine, conf. II
461754.2775 29.1142 -3.4606 3 756.2206489 89503 303814537 804536 a-Alanine, conf. II
461796.9692 13.1456 -3.1926 3 667.0286483 89503 303802852 792851 a-Alanine, conf. II
461816.6541 31.1929 -3.3041 3 702.4263483 89503 303803843 793842 a-Alanine, conf. II
461817.3126 31.2008 -3.3041 3 702.4263483 89503 303803842 793841 a-Alanine, conf. II
461838.4774 29.6876 -3.8891 3 881.6250495 89503 303826022 816021 a-Alanine, conf. II
461838.4774 29.6876 -3.8891 3 881.6250495 89503 303826023 816022 a-Alanine, conf. II
461943.4195 2.6368 -4.1112 3 278.0646309 89503 303512427 502228 a-Alanine, conf. II
461970.1116129.1194 -3.2688 3 773.0182591 89503 30398 494 97 493 a-Alanine, conf. II
461970.1116129.1194 -4.3844 3 773.0182591 89503 30398 494 97 593 a-Alanine, conf. II
461970.1116129.1194 -4.3844 3 773.0182591 89503 30398 594 97 493 a-Alanine, conf. II
461970.1116129.1194 -3.2688 3 773.0182591 89503 30398 594 97 593 a-Alanine, conf. II
462001.8360 22.2361 -3.2737 3 735.2306531 89503 303881870 871869 a-Alanine, conf. II
462001.8360 22.2361 -4.5161 3 735.2306531 89503 303881870 871969 a-Alanine, conf. II
462001.8360 22.2361 -4.5161 3 735.2306531 89503 303881970 871869 a-Alanine, conf. II
462001.8360 22.2361 -3.2737 3 735.2306531 89503 303881970 871969 a-Alanine, conf. II
462078.2383 29.6538 -3.8549 3 873.1928495 89503 303825923 815922 a-Alanine, conf. II
462078.2383 29.6538 -3.8549 3 873.1928495 89503 303825924 815923 a-Alanine, conf. II
462082.5040 43.5210 -3.2817 3 759.4494561 89503 303931182 921181 a-Alanine, conf. II
462082.5040 43.5210 -4.4467 3 759.4494561 89503 303931182 921281 a-Alanine, conf. II
462082.5040 43.5210 -4.4467 3 759.4494561 89503 303931282 921181 a-Alanine, conf. II
462082.5040 43.5210 -3.2817 3 759.4494561 89503 303931282 921281 a-Alanine, conf. II
462096.1039 15.2422 -3.2253 3 689.1219495 89503 303822756 812755 a-Alanine, conf. II
462097.8924 15.2452 -3.2253 3 689.1218495 89503 303822656 812655 a-Alanine, conf. II
462122.2627 34.5442 -3.2176 3 669.5729477 89503 303793446 783445 a-Alanine, conf. II
462148.7492 1.9973 -4.6205 3 191.4115279 89503 30346 937 45 738 a-Alanine, conf. II
462148.7493 1.9973 -4.6205 3 191.4115279 89503 303461037 45 838 a-Alanine, conf. II
462185.0771 6.3287 -4.0725 3 309.0439327 89503 303542430 532231 a-Alanine, conf. II
462255.7884 4.4014 -4.0585 3 295.7048321 89503 303532331 522132 a-Alanine, conf. II
462290.1512 5.5504 -3.9088 3 358.5375315 89503 303524012 513913 a-Alanine, conf. II
462290.1512 5.5504 -3.9088 3 358.5375315 89503 303524013 513912 a-Alanine, conf. II
462304.4137 1.0466 -4.4694 3 206.8271285 89503 303471136 46 937 a-Alanine, conf. II
462304.4195 1.0466 -4.4694 3 206.8271285 89503 303471236 461037 a-Alanine, conf. II
462332.1203 29.6320 -3.8218 3 864.9132495 89503 303825824 815823 a-Alanine, conf. II
462332.1203 29.6320 -3.8218 3 864.9132495 89503 303825825 815824 a-Alanine, conf. II
462359.4572217.6478 -3.2554 3 778.2182609 89503 303A1 0A1 A0 0A0 a-Alanine, conf. II
462359.4572217.6478 -4.3501 3 778.2182609 89503 303A1 0A1 A0 1A0 a-Alanine, conf. II
462359.4572217.6478 -4.3501 3 778.2182609 89503 303A1 1A1 A0 0A0 a-Alanine, conf. II
462359.4572217.6478 -3.2554 3 778.2182609 89503 303A1 1A1 A0 1A0 a-Alanine, conf. II
462402.4977 29.4510 -3.4383 3 750.1814489 89503 303814437 804436 a-Alanine, conf. II
462402.4977 29.4510 -3.4383 3 750.1814489 89503 303814438 804437 a-Alanine, conf. II
462506.6181 20.6653 -4.0720 3 313.9043333 89503 303552134 541935 a-Alanine, conf. II
462553.3312 3.5746 -4.0276 3 373.3424339 89503 303563521 553422 a-Alanine, conf. II
462553.3312 3.5746 -4.0276 3 373.3424339 89503 303563522 553421 a-Alanine, conf. II
462601.2586 29.6233 -3.7897 3 856.7870495 89503 303825725 815724 a-Alanine, conf. II
462601.2586 29.6233 -3.7897 3 856.7870495 89503 303825726 815725 a-Alanine, conf. II
462685.7091 28.8663 -3.2836 3 752.5841549 89503 303911477 901476 a-Alanine, conf. II
462685.7091 28.8663 -4.4769 3 752.5841549 89503 303911477 901576 a-Alanine, conf. II
462685.7091 28.8663 -4.4769 3 752.5841549 89503 303911577 901476 a-Alanine, conf. II
462685.7091 28.8663 -3.2836 3 752.5841549 89503 303911577 901576 a-Alanine, conf. II
462703.8422 83.7497 -3.2795 3 770.6883579 89503 30396 789 95 788 a-Alanine, conf. II
462703.8422 83.7497 -4.4138 3 770.6883579 89503 30396 789 95 888 a-Alanine, conf. II
462703.8422 83.7497 -4.4138 3 770.6883579 89503 30396 889 95 788 a-Alanine, conf. II
462703.8422 83.7497 -3.2795 3 770.6883579 89503 30396 889 95 888 a-Alanine, conf. II
462743.1412 20.5030 -3.2654 3 723.6585519 89503 303862165 852164 a-Alanine, conf. II
462743.1412 20.5030 -4.5564 3 723.6585519 89503 303862165 852264 a-Alanine, conf. II
462743.1412 20.5030 -4.5564 3 723.6585519 89503 303862265 852164 a-Alanine, conf. II
462743.1412 20.5030 -3.2654 3 723.6585519 89503 303862265 852264 a-Alanine, conf. II
462783.9118 4.1309 -4.3911 3 424.8419381 89503 303632836 622735 a-Alanine, conf. II
462804.6252 39.9462 -3.2164 3 669.5956477 89503 303793445 783444 a-Alanine, conf. II
462810.5251 8.5556 -3.8394 3 353.7190297 89503 3034944 5 4843 6 a-Alanine, conf. II
462810.5251 8.5556 -3.8394 3 353.7190297 89503 3034944 6 4843 5 a-Alanine, conf. II
462877.5696 16.5876 -3.2388 3 699.6535501 89503 303832658 822657 a-Alanine, conf. II
462877.6582 16.5878 -3.2388 3 699.6535501 89503 303832558 822557 a-Alanine, conf. II
462886.9184 29.6285 -3.7587 3 848.8149495 89503 303825626 815625 a-Alanine, conf. II
462886.9184 29.6285 -3.7587 3 848.8149495 89503 303825627 815626 a-Alanine, conf. II
462998.6191 3.9775 -4.2137 3 249.8717303 89503 303501634 491435 a-Alanine, conf. II
463052.3651 15.8219 -4.4706 3 421.7894381 89503 303632736 622637 a-Alanine, conf. II
463083.9526 3.9372 -4.2136 3 249.8718303 89503 303501734 491535 a-Alanine, conf. II
463113.1272 29.8586 -3.4167 3 744.3187489 89503 303814338 804337 a-Alanine, conf. II
463113.1272 29.8586 -3.4167 3 744.3187489 89503 303814339 804338 a-Alanine, conf. II
463182.3956 32.5321 -3.2851 3 697.7038483 89503 303803744 793743 a-Alanine, conf. II
463187.7683 32.5916 -3.2851 3 697.7039483 89503 303803743 793742 a-Alanine, conf. II
463190.5153 29.6490 -3.7286 3 840.9978495 89503 303825527 815526 a-Alanine, conf. II
463190.5153 29.6490 -3.7286 3 840.9978495 89503 303825528 815527 a-Alanine, conf. II
463198.2582150.2946 -3.2709 3 778.4817597 89503 30399 396 98 395 a-Alanine, conf. II
463198.2582150.2946 -4.3808 3 778.4817597 89503 30399 396 98 495 a-Alanine, conf. II
463198.2582150.2946 -4.3808 3 778.4817597 89503 30399 496 98 395 a-Alanine, conf. II
463198.2582150.2946 -3.2709 3 778.4817597 89503 30399 496 98 495 a-Alanine, conf. II
463289.2223 23.4164 -3.2815 3 743.7444537 89503 303891772 881771 a-Alanine, conf. II
463289.2223 23.4164 -4.5095 3 743.7444537 89503 303891772 881871 a-Alanine, conf. II
463289.2223 23.4164 -4.5095 3 743.7444537 89503 303891872 881771 a-Alanine, conf. II
463289.2223 23.4164 -3.2815 3 743.7444537 89503 303891872 881871 a-Alanine, conf. II
463360.9934 3.3704 -4.0990 3 288.1222315 89503 303522428 512229 a-Alanine, conf. II
463369.8092 52.1831 -3.2865 3 766.4233567 89503 303941084 931083 a-Alanine, conf. II
463369.8092 52.1831 -4.4429 3 766.4233567 89503 303941084 931183 a-Alanine, conf. II
463369.8092 52.1831 -4.4429 3 766.4233567 89503 303941184 931083 a-Alanine, conf. II
463369.8092 52.1831 -3.2865 3 766.4233567 89503 303941184 931183 a-Alanine, conf. II
463490.8257 4.6873 -4.0872 3 298.4448321 89503 303532429 522230 a-Alanine, conf. II
463513.6395 29.6861 -3.6994 3 833.3367495 89503 303825428 815427 a-Alanine, conf. II
463513.6395 29.6861 -3.6994 3 833.3367495 89503 303825429 815428 a-Alanine, conf. II
463515.4817 4.9318 -3.9321 3 362.8862321 89503 303533914 523815 a-Alanine, conf. II
463515.4817 4.9318 -3.9321 3 362.8862321 89503 303533915 523814 a-Alanine, conf. II
463547.8697 3.6118 -4.0604 3 379.3668345 89503 303573423 563324 a-Alanine, conf. II
463547.8697 3.6118 -4.0604 3 379.3668345 89503 303573424 563323 a-Alanine, conf. II
463830.4546 17.9769 -4.6090 3 709.8978507 89503 303842460 832559 a-Alanine, conf. II
463830.4571 17.9769 -3.2513 3 709.8978507 89503 303842560 832559 a-Alanine, conf. II
463830.4608 17.9769 -3.2513 3 709.8978507 89503 303842460 832459 a-Alanine, conf. II
463830.4634 17.9770 -4.6090 3 709.8978507 89503 303842560 832459 a-Alanine, conf. II
463858.0861 29.7415 -3.6711 3 825.8325495 89503 303825329 815328 a-Alanine, conf. II
463858.0861 29.7415 -3.6711 3 825.8325495 89503 303825330 815329 a-Alanine, conf. II
463896.5343 30.3546 -3.3956 3 738.6365489 89503 303814240 804239 a-Alanine, conf. II
463896.5345 30.3546 -3.3956 3 738.6365489 89503 303814239 804238 a-Alanine, conf. II
463900.1609 52.7579 -3.1228 3 629.1114465 89503 303773146 763145 a-Alanine, conf. II
463948.0792 8.9397 -4.0825 3 290.6031321 89503 303532133 521934 a-Alanine, conf. II
463959.4378 99.2202 -3.2827 3 776.8054585 89503 30397 691 96 690 a-Alanine, conf. II
463959.4378 99.2202 -4.4103 3 776.8054585 89503 30397 691 96 790 a-Alanine, conf. II
463959.4378 99.2202 -4.4103 3 776.8054585 89503 30397 791 96 690 a-Alanine, conf. II
463959.4378 99.2202 -3.2827 3 776.8054585 89503 30397 791 96 790 a-Alanine, conf. II
463971.4597 21.5249 -3.2748 3 732.8762525 89503 303872067 862066 a-Alanine, conf. II
463971.4597 21.5249 -4.5470 3 732.8762525 89503 303872067 862166 a-Alanine, conf. II
463971.4597 21.5249 -4.5470 3 732.8762525 89503 303872167 862066 a-Alanine, conf. II
463971.4597 21.5249 -3.2748 3 732.8762525 89503 303872167 862166 a-Alanine, conf. II
463985.6871 33.2578 -3.2897 3 760.2158555 89503 303921379 911378 a-Alanine, conf. II
463985.6871 33.2578 -4.4724 3 760.2158555 89503 303921379 911478 a-Alanine, conf. II
463985.6871 33.2578 -4.4724 3 760.2158555 89503 303921479 911378 a-Alanine, conf. II
463985.6871 33.2578 -3.2897 3 760.2158555 89503 303921479 911478 a-Alanine, conf. II
464090.5777 7.6828 -3.8581 3 356.8467303 89503 3035043 7 4942 8 a-Alanine, conf. II
464090.5777 7.6828 -3.8581 3 356.8467303 89503 3035043 8 4942 7 a-Alanine, conf. II
464094.8416 4.4730 -4.5214 3 199.2657243 89503 303402911 392712 a-Alanine, conf. II
464094.8416 4.4730 -4.5214 3 199.2657243 89503 303402912 392713 a-Alanine, conf. II
464103.9651 33.5282 -3.2002 3 665.8014477 89503 303793347 783346 a-Alanine, conf. II
464172.0788 2.2978 -4.1081 3 277.9865309 89503 303512428 502229 a-Alanine, conf. II
464208.7820 18.7697 -3.1780 3 658.8829477 89503 303793149 783148 a-Alanine, conf. II
464225.8910 29.8173 -3.6436 3 818.4864495 89503 303825230 815229 a-Alanine, conf. II
464225.8910 29.8173 -3.6436 3 818.4864495 89503 303825231 815230 a-Alanine, conf. II
464357.8797 14.7253 -3.1682 3 655.2036477 89503 303792950 782949 a-Alanine, conf. II
464415.7833173.8817 -3.2726 3 783.7404603 89503 303A0 298 99 297 a-Alanine, conf. II
464415.7833173.8817 -4.3772 3 783.7404603 89503 303A0 298 99 397 a-Alanine, conf. II
464415.7833173.8817 -4.3772 3 783.7404603 89503 303A0 398 99 297 a-Alanine, conf. II
464415.7833173.8817 -3.2726 3 783.7404603 89503 303A0 398 99 397 a-Alanine, conf. II
464433.9398 3.8186 -4.0965 3 385.7945351 89503 303583326 573225 a-Alanine, conf. II
464433.9400 3.8186 -4.0965 3 385.7945351 89503 303583325 573226 a-Alanine, conf. II
464500.1396 2.2416 -4.1852 3 252.1616291 89503 303482523 472324 a-Alanine, conf. II
464527.0756 2.2383 -4.1852 3 252.1606291 89503 303482524 472325 a-Alanine, conf. II
464528.2176 11.3035 -3.7991 3 355.0408285 89503 3034747 0 4646 1 a-Alanine, conf. II
464528.2176 11.3035 -3.7991 3 355.0408285 89503 3034747 1 4646 0 a-Alanine, conf. II
464584.3964 25.0427 -3.2889 3 752.0452543 89503 303901674 891673 a-Alanine, conf. II
464584.3964 25.0427 -4.5038 3 752.0452543 89503 303901674 891773 a-Alanine, conf. II
464584.3964 25.0427 -4.5038 3 752.0452543 89503 303901774 891673 a-Alanine, conf. II
464584.3964 25.0427 -3.2889 3 752.0452543 89503 303901774 891773 a-Alanine, conf. II
464619.3773 29.9159 -3.6170 3 811.2998495 89503 303825131 815130 a-Alanine, conf. II
464619.3773 29.9159 -3.6170 3 811.2998495 89503 303825132 815131 a-Alanine, conf. II
464649.3012 62.5949 -3.2909 3 773.1933573 89503 30395 986 94 985 a-Alanine, conf. II
464649.3012 62.5949 -4.4393 3 773.1933573 89503 30395 986 941085 a-Alanine, conf. II
464649.3012 62.5949 -4.4393 3 773.1933573 89503 303951086 94 985 a-Alanine, conf. II
464649.3012 62.5949 -3.2909 3 773.1933573 89503 303951086 941085 a-Alanine, conf. II
464712.5323 4.4143 -3.9568 3 367.5993327 89503 303543816 533717 a-Alanine, conf. II
464712.5323 4.4143 -3.9568 3 367.5993327 89503 303543817 533716 a-Alanine, conf. II
464765.9760 30.9629 -3.3750 3 733.1399489 89503 303814141 804140 a-Alanine, conf. II
464765.9778 30.9630 -3.3750 3 733.1399489 89503 303814140 804139 a-Alanine, conf. II
464787.6247 34.2593 -3.2663 3 693.2103483 89503 303803645 793644 a-Alanine, conf. II
464826.4758 34.6522 -3.2662 3 693.2114483 89503 303803644 793643 a-Alanine, conf. II
464896.2101 19.3298 -4.5938 3 719.8764513 89503 303852362 842461 a-Alanine, conf. II
464896.2102 19.3298 -3.2628 3 719.8764513 89503 303852462 842461 a-Alanine, conf. II
464896.2103 19.3298 -3.2628 3 719.8764513 89503 303852362 842361 a-Alanine, conf. II
464896.2104 19.3298 -4.5938 3 719.8764513 89503 303852462 842361 a-Alanine, conf. II
465035.2879 33.0366 -4.6143 3 1041.4052501 89503 3038375 8 8275 7 a-Alanine, conf. II
465035.2879 33.0366 -4.6143 3 1041.4052501 89503 3038375 9 8275 8 a-Alanine, conf. II
465041.2113 30.0402 -3.5910 3 804.2740495 89503 303825032 815031 a-Alanine, conf. II
465041.2113 30.0402 -3.5910 3 804.2740495 89503 303825033 815032 a-Alanine, conf. II
465147.1575 27.5510 -3.1861 3 662.2758477 89503 303793248 783247 a-Alanine, conf. II
465151.0582 32.8770 -4.5435 3 1030.7435501 89503 3038374 9 8274 8 a-Alanine, conf. II
465151.0582 32.8770 -4.5435 3 1030.7435501 89503 303837410 8274 9 a-Alanine, conf. II
465168.5477 4.1650 -4.1367 3 392.6411357 89503 303593228 583127 a-Alanine, conf. II
465168.5578 4.1650 -4.1367 3 392.6411357 89503 303593227 583128 a-Alanine, conf. II
465204.9053116.7803 -3.2856 3 782.7187591 89503 30398 593 97 592 a-Alanine, conf. II
465204.9053116.7803 -4.4069 3 782.7187591 89503 30398 593 97 692 a-Alanine, conf. II
465204.9053116.7803 -4.4069 3 782.7187591 89503 30398 693 97 592 a-Alanine, conf. II
465204.9053116.7803 -3.2856 3 782.7187591 89503 30398 693 97 692 a-Alanine, conf. II
465220.9310 28.1821 -4.5983 3 476.0454405 89503 303672840 662739 a-Alanine, conf. II
465227.5851 22.4964 -3.2837 3 741.8687531 89503 303881969 871968 a-Alanine, conf. II
465227.5851 22.4964 -4.5389 3 741.8687531 89503 303881969 872068 a-Alanine, conf. II
465227.5851 22.4964 -4.5389 3 741.8687531 89503 303882069 871968 a-Alanine, conf. II
465227.5851 22.4964 -3.2837 3 741.8687531 89503 303882069 872068 a-Alanine, conf. II
465272.4473 32.7251 -4.4784 3 1020.2285501 89503 303837310 8273 9 a-Alanine, conf. II
465272.4473 32.7251 -4.4784 3 1020.2285501 89503 303837311 827310 a-Alanine, conf. II
465281.7536 39.1143 -3.2953 3 767.6418561 89503 303931281 921280 a-Alanine, conf. II
465281.7536 39.1143 -4.4684 3 767.6418561 89503 303931281 921380 a-Alanine, conf. II
465281.7536 39.1143 -4.4684 3 767.6418561 89503 303931381 921280 a-Alanine, conf. II
465281.7536 39.1143 -3.2953 3 767.6418561 89503 303931381 921380 a-Alanine, conf. II
465337.1359 7.9733 -4.3874 3 424.7786381 89503 303632835 622736 a-Alanine, conf. II
465360.1043 6.8665 -3.8779 3 360.3249309 89503 3035142 9 504110 a-Alanine, conf. II
465360.1043 6.8665 -3.8779 3 360.3249309 89503 303514210 5041 9 a-Alanine, conf. II
465399.7727 32.5809 -4.4179 3 1009.8605501 89503 303837211 827210 a-Alanine, conf. II
465399.7727 32.5809 -4.4179 3 1009.8605501 89503 303837212 827211 a-Alanine, conf. II
465413.0359 5.3453 -4.3013 3 415.9531375 89503 303622934 612833 a-Alanine, conf. II
465423.8072 3.7003 -4.4159 3 210.9245255 89503 303422814 412615 a-Alanine, conf. II
465423.8072 3.7003 -4.4159 3 210.9245255 89503 303422815 412616 a-Alanine, conf. II
465428.8499 58.7479 -3.1592 3 647.2673471 89503 303783246 773245 a-Alanine, conf. II
465494.4753 30.1939 -3.5658 3 797.4107495 89503 303824933 814932 a-Alanine, conf. II
465494.4753 30.1939 -3.5658 3 797.4107495 89503 303824934 814933 a-Alanine, conf. II
465533.3768 32.4445 -4.3614 3 999.6399501 89503 303837112 827111 a-Alanine, conf. II
465533.3768 32.4445 -4.3614 3 999.6399501 89503 303837113 827112 a-Alanine, conf. II
465593.1065 5.6998 -4.3010 3 415.9485375 89503 303622933 612834 a-Alanine, conf. II
465597.2825 13.5111 -3.1938 3 670.8271483 89503 303803051 793050 a-Alanine, conf. II
465622.7436200.0270 -3.2740 3 788.7937609 89503 303A1 1A0 A0 199 a-Alanine, conf. II
465622.7436200.0270 -4.3735 3 788.7937609 89503 303A1 1A0 A0 299 a-Alanine, conf. II
465622.7436200.0270 -4.3735 3 788.7937609 89503 303A1 2A0 A0 199 a-Alanine, conf. II
465622.7436200.0270 -3.2740 3 788.7937609 89503 303A1 2A0 A0 299 a-Alanine, conf. II
465646.5870 13.9010 -3.2121 3 682.4451489 89503 303812953 802952 a-Alanine, conf. II
465673.6291 32.3162 -4.3083 3 989.5667501 89503 303837013 827012 a-Alanine, conf. II
465673.6291 32.3162 -4.3083 3 989.5667501 89503 303837014 827013 a-Alanine, conf. II
465684.3961 4.6087 -4.1824 3 399.9273363 89503 303603130 593029 a-Alanine, conf. II
465684.7425 4.6095 -4.1824 3 399.9273363 89503 303603129 593030 a-Alanine, conf. II
465738.8492 31.7180 -3.3550 3 727.8347489 89503 303814042 804041 a-Alanine, conf. II
465738.8678 31.7183 -3.3550 3 727.8347489 89503 303814041 804040 a-Alanine, conf. II
465796.6188 5.0374 -4.4331 3 437.2352387 89503 303642837 632736 a-Alanine, conf. II
465820.9288 32.1959 -4.2580 3 979.6415501 89503 303836914 826913 a-Alanine, conf. II
465820.9288 32.1959 -4.2580 3 979.6415501 89503 303836915 826914 a-Alanine, conf. II
465823.7613 10.2822 -3.8153 3 357.3245291 89503 3034846 2 4745 3 a-Alanine, conf. II
465823.7613 10.2822 -3.8153 3 357.3245291 89503 3034846 3 4745 2 a-Alanine, conf. II
465836.4943 13.9923 -3.2117 3 682.4325489 89503 303812853 802852 a-Alanine, conf. II
465864.0276 5.0859 -4.2358 3 407.6826369 89503 303613032 602931 a-Alanine, conf. II
465872.3611 4.0245 -3.9834 3 372.6822333 89503 303553718 543619 a-Alanine, conf. II
465872.3611 4.0245 -3.9834 3 372.6822333 89503 303553719 543618 a-Alanine, conf. II
465873.1371 5.1051 -4.2358 3 407.6824369 89503 303613031 602932 a-Alanine, conf. II
465883.1615 27.4125 -3.2958 3 760.1356549 89503 303911576 901575 a-Alanine, conf. II
465883.1615 27.4125 -4.4987 3 760.1356549 89503 303911576 901675 a-Alanine, conf. II
465883.1615 27.4125 -4.4987 3 760.1356549 89503 303911676 901575 a-Alanine, conf. II
465883.1615 27.4125 -3.2958 3 760.1356549 89503 303911676 901675 a-Alanine, conf. II
465886.0585 15.0233 -3.2288 3 693.6672495 89503 303822855 812854 a-Alanine, conf. II
465900.0659 15.0396 -3.2287 3 693.6663495 89503 303822755 812754 a-Alanine, conf. II
465920.1467 74.8460 -3.2950 3 779.7597579 89503 30396 888 95 887 a-Alanine, conf. II
465920.1467 74.8460 -4.4358 3 779.7597579 89503 30396 888 95 987 a-Alanine, conf. II
465920.1467 74.8460 -4.4358 3 779.7597579 89503 30396 988 95 887 a-Alanine, conf. II
465920.1467 74.8460 -3.2950 3 779.7597579 89503 30396 988 95 987 a-Alanine, conf. II
465975.7083 32.0839 -4.2102 3 969.8644501 89503 303836815 826814 a-Alanine, conf. II
465975.7083 32.0839 -4.2102 3 969.8644501 89503 303836816 826815 a-Alanine, conf. II
465982.7605 30.3814 -3.5413 3 790.7117495 89503 303824834 814833 a-Alanine, conf. II
465982.7605 30.3814 -3.5413 3 790.7117495 89503 303824835 814834 a-Alanine, conf. II
466021.4871 22.2661 -3.1076 3 626.7991465 89503 303773047 763046 a-Alanine, conf. II
466038.7269 20.5907 -3.2736 3 729.6047519 89503 303862264 852263 a-Alanine, conf. II
466038.7269 20.5907 -4.5814 3 729.6047519 89503 303862264 852363 a-Alanine, conf. II
466038.7269 20.5907 -4.5814 3 729.6047519 89503 303862364 852263 a-Alanine, conf. II
466038.7269 20.5907 -3.2736 3 729.6047519 89503 303862364 852363 a-Alanine, conf. II
466078.0266 2.5261 -4.2524 3 237.3191279 89503 303462620 452421 a-Alanine, conf. II
466078.3716 2.5260 -4.2524 3 237.3191279 89503 303462621 452422 a-Alanine, conf. II
466138.4365 31.9805 -4.1647 3 960.2359501 89503 303836716 826715 a-Alanine, conf. II
466138.4365 31.9805 -4.1647 3 960.2359501 89503 303836717 826716 a-Alanine, conf. II
466187.6549 3.0351 -4.3281 3 223.5951267 89503 303442717 432518 a-Alanine, conf. II
466187.6573 3.0351 -4.3281 3 223.5951267 89503 303442718 432519 a-Alanine, conf. II
466194.7351 1.8417 -4.3029 3 234.3211297 89503 303491435 481236 a-Alanine, conf. II
466196.8886 1.8410 -4.3029 3 234.3211297 89503 303491535 481336 a-Alanine, conf. II
466265.5710 5.5200 -4.1796 3 262.3057309 89503 303511734 501535 a-Alanine, conf. II
466309.6229 31.8859 -4.1213 3 950.7562501 89503 303836617 826616 a-Alanine, conf. II
466309.6229 31.8859 -4.1213 3 950.7562501 89503 303836618 826617 a-Alanine, conf. II
466431.9131 17.6182 -3.9515 3 365.5210357 89503 303592435 582236 a-Alanine, conf. II
466440.0255136.5544 -3.2882 3 788.4278597 89503 30399 495 98 494 a-Alanine, conf. II
466440.0255136.5544 -4.4035 3 788.4278597 89503 30399 495 98 594 a-Alanine, conf. II
466440.0255136.5544 -4.4035 3 788.4278597 89503 30399 595 98 494 a-Alanine, conf. II
466440.0255136.5544 -3.2882 3 788.4278597 89503 30399 595 98 594 a-Alanine, conf. II
466475.4232 16.3261 -3.2437 3 704.5357501 89503 303832757 822756 a-Alanine, conf. II
466476.2336 16.3276 -3.2437 3 704.5357501 89503 303832657 822656 a-Alanine, conf. II
466489.8219 31.8004 -4.0796 3 941.4259501 89503 303836518 826517 a-Alanine, conf. II
466489.8219 31.8004 -4.0796 3 941.4259501 89503 303836519 826518 a-Alanine, conf. II
466502.4300 23.5304 -3.2922 3 750.6413537 89503 303891871 881870 a-Alanine, conf. II
466502.4300 23.5304 -4.5320 3 750.6413537 89503 303891871 881970 a-Alanine, conf. II
466502.4300 23.5304 -4.5320 3 750.6413537 89503 303891971 881870 a-Alanine, conf. II
466502.4300 23.5304 -3.2922 3 750.6413537 89503 303891971 881970 a-Alanine, conf. II
466510.2884 30.6082 -3.5175 3 784.1791495 89503 303824735 814734 a-Alanine, conf. II
466510.2884 30.6082 -3.5175 3 784.1791495 89503 303824736 814735 a-Alanine, conf. II
466571.2947 5.3503 -4.1792 3 262.3060309 89503 303511834 501635 a-Alanine, conf. II
466572.2458 46.5832 -3.3006 3 774.8629567 89503 303941183 931182 a-Alanine, conf. II
466572.2458 46.5832 -4.4646 3 774.8629567 89503 303941183 931282 a-Alanine, conf. II
466572.2458 46.5832 -4.4646 3 774.8629567 89503 303941283 931182 a-Alanine, conf. II
466572.2458 46.5832 -3.3006 3 774.8629567 89503 303941283 931282 a-Alanine, conf. II
466615.7105 6.1139 -3.8989 3 364.1567315 89503 303524111 514012 a-Alanine, conf. II
466615.7105 6.1139 -3.8989 3 364.1567315 89503 303524112 514011 a-Alanine, conf. II
466678.7200 36.1941 -3.2477 3 688.9649483 89503 303803546 793545 a-Alanine, conf. II
466679.6388 31.7242 -4.0396 3 932.2454501 89503 303836419 826418 a-Alanine, conf. II
466679.6388 31.7242 -4.0396 3 932.2454501 89503 303836420 826419 a-Alanine, conf. II
466732.4112 26.6922 -3.9998 3 351.7909351 89503 303582335 572136 a-Alanine, conf. II
466819.2779228.8841 -3.2751 3 793.6409615 89503 303A2 0A2 A1 0A1 a-Alanine, conf. II
466819.2779228.8841 -4.3698 3 793.6409615 89503 303A2 0A2 A1 1A1 a-Alanine, conf. II
466819.2779228.8841 -4.3698 3 793.6409615 89503 303A2 1A2 A1 0A1 a-Alanine, conf. II
466819.2779228.8841 -3.2751 3 793.6409615 89503 303A2 1A2 A1 1A1 a-Alanine, conf. II
466838.7048 32.6709 -3.3353 3 722.7286489 89503 303813943 803942 a-Alanine, conf. II
466838.8835 32.6733 -3.3353 3 722.7286489 89503 303813942 803941 a-Alanine, conf. II
466879.7347 31.6579 -4.0011 3 923.2150501 89503 303836320 826319 a-Alanine, conf. II
466879.7347 31.6579 -4.0011 3 923.2150501 89503 303836321 826320 a-Alanine, conf. II
466922.8553 38.4192 -3.2472 3 688.9724483 89503 303803545 793544 a-Alanine, conf. II
466983.0042 3.7918 -4.0120 3 378.1419339 89503 303563620 553521 a-Alanine, conf. II
466983.0042 3.7918 -4.0120 3 378.1419339 89503 303563621 553520 a-Alanine, conf. II
467082.0716 30.8815 -3.4943 3 777.8153495 89503 303824636 814635 a-Alanine, conf. II
467082.0716 30.8815 -3.4943 3 777.8153495 89503 303824637 814636 a-Alanine, conf. II
467090.8345 31.6019 -3.9640 3 914.3353501 89503 303836221 826220 a-Alanine, conf. II
467090.8345 31.6019 -3.9640 3 914.3353501 89503 303836222 826221 a-Alanine, conf. II
467114.3249 9.3101 -3.8323 3 359.9527297 89503 3034945 4 4844 5 a-Alanine, conf. II
467114.3249 9.3101 -3.8323 3 359.9527297 89503 3034945 5 4844 4 a-Alanine, conf. II
467181.7160 89.0328 -3.2987 3 786.1225585 89503 30397 790 96 789 a-Alanine, conf. II
467181.7160 89.0328 -4.4326 3 786.1225585 89503 30397 790 96 889 a-Alanine, conf. II
467181.7160 89.0328 -4.4326 3 786.1225585 89503 30397 890 96 789 a-Alanine, conf. II
467181.7160 89.0328 -3.2987 3 786.1225585 89503 30397 890 96 889 a-Alanine, conf. II
467182.2632 30.8359 -3.3024 3 768.0176555 89503 303921478 911477 a-Alanine, conf. II
467182.2632 30.8359 -4.4942 3 768.0176555 89503 303921478 911577 a-Alanine, conf. II
467182.2632 30.8359 -4.4942 3 768.0176555 89503 303921578 911477 a-Alanine, conf. II
467182.2632 30.8359 -3.3024 3 768.0176555 89503 303921578 911577 a-Alanine, conf. II
467185.9661 53.5082 -3.1942 3 665.9244477 89503 303793346 783345 a-Alanine, conf. II
467234.4182 21.7357 -3.2838 3 739.0940525 89503 303872166 862165 a-Alanine, conf. II
467234.4182 21.7357 -4.5710 3 739.0940525 89503 303872166 862265 a-Alanine, conf. II
467234.4182 21.7357 -4.5710 3 739.0940525 89503 303872266 862165 a-Alanine, conf. II
467234.4182 21.7357 -3.2838 3 739.0940525 89503 303872266 862265 a-Alanine, conf. II
467303.3088 17.7423 -3.2572 3 715.0935507 89503 303842659 832658 a-Alanine, conf. II
467303.3471 17.7424 -3.2572 3 715.0935507 89503 303842559 832558 a-Alanine, conf. II
467313.7342 31.5568 -3.9282 3 905.6069501 89503 303836122 826121 a-Alanine, conf. II
467313.7342 31.5568 -3.9282 3 905.6069501 89503 303836123 826122 a-Alanine, conf. II
467434.8279 14.3237 -3.1897 3 670.6929483 89503 303802951 792950 a-Alanine, conf. II
467465.7558 17.5329 -4.5380 3 462.8245399 89503 303662839 652738 a-Alanine, conf. II
467533.2452 9.4177 -4.4819 3 449.8907393 89503 303652838 642737 a-Alanine, conf. II
467549.3108 31.5230 -3.8936 3 897.0303501 89503 303836023 826022 a-Alanine, conf. II
467549.3108 31.5230 -3.8936 3 897.0303501 89503 303836024 826023 a-Alanine, conf. II
467593.2986 0.8338 -4.4102 3 218.7239291 89503 303481236 471037 a-Alanine, conf. II
467593.3323 0.8338 -4.4102 3 218.7239291 89503 303481336 471137 a-Alanine, conf. II
467655.1879 15.2812 -4.1010 3 300.7524327 89503 303542034 531835 a-Alanine, conf. II
467664.6922158.6757 -3.2904 3 793.9323603 89503 303A0 397 99 396 a-Alanine, conf. II
467664.6922158.6757 -4.4002 3 793.9323603 89503 303A0 397 99 496 a-Alanine, conf. II
467664.6922158.6757 -4.4002 3 793.9323603 89503 303A0 497 99 396 a-Alanine, conf. II
467664.6922158.6757 -3.2904 3 793.9323603 89503 303A0 497 99 496 a-Alanine, conf. II
467695.3281 2.4730 -4.0939 3 287.9689315 89503 303522429 512230 a-Alanine, conf. II
467704.1329 31.2100 -3.4717 3 771.6230495 89503 303824537 814536 a-Alanine, conf. II
467704.1329 31.2100 -3.4717 3 771.6230495 89503 303824538 814537 a-Alanine, conf. II
467742.0134 5.2174 -4.6065 3 195.7711237 89503 3033930 9 382810 a-Alanine, conf. II
467742.0134 5.2174 -4.6065 3 195.7711237 89503 303393010 382811 a-Alanine, conf. II
467789.2310 24.8118 -3.3001 3 759.1981543 89503 303901773 891772 a-Alanine, conf. II
467789.2310 24.8118 -4.5260 3 759.1981543 89503 303901773 891872 a-Alanine, conf. II
467789.2310 24.8118 -4.5260 3 759.1981543 89503 303901873 891772 a-Alanine, conf. II
467789.2310 24.8118 -3.3001 3 759.1981543 89503 303901873 891872 a-Alanine, conf. II
467798.5330 31.5015 -3.8602 3 888.6060501 89503 303835924 825923 a-Alanine, conf. II
467798.5330 31.5015 -3.8602 3 888.6060501 89503 303835925 825924 a-Alanine, conf. II
467840.5829 1.6608 -4.5434 3 203.1184285 89503 303471037 46 838 a-Alanine, conf. II
467840.5832 1.6608 -4.5434 3 203.1184285 89503 303471137 46 938 a-Alanine, conf. II
467853.0158 5.4367 -3.9213 3 368.3458321 89503 303534013 523914 a-Alanine, conf. II
467853.0158 5.4367 -3.9213 3 368.3458321 89503 303534014 523913 a-Alanine, conf. II
467855.8589 55.7720 -3.3056 3 781.8796573 89503 303951085 941084 a-Alanine, conf. II
467855.8589 55.7720 -4.4611 3 781.8796573 89503 303951085 941184 a-Alanine, conf. II
467855.8589 55.7720 -4.4611 3 781.8796573 89503 303951185 941084 a-Alanine, conf. II
467855.8589 55.7720 -3.3056 3 781.8796573 89503 303951185 941184 a-Alanine, conf. II
468028.1701 3.7381 -4.0431 3 383.9866345 89503 303573522 563423 a-Alanine, conf. II
468028.1701 3.7381 -4.0431 3 383.9866345 89503 303573523 563422 a-Alanine, conf. II
468062.4742 31.4930 -3.8278 3 880.3349501 89503 303835825 825824 a-Alanine, conf. II
468062.4742 31.4930 -3.8278 3 880.3349501 89503 303835826 825825 a-Alanine, conf. II
468098.4618 33.8973 -3.3161 3 717.8308489 89503 303813844 803843 a-Alanine, conf. II
468100.0115 33.9164 -3.3161 3 717.8309489 89503 303813843 803842 a-Alanine, conf. II
468284.6929 19.1830 -3.2697 3 725.3695513 89503 303852561 842560 a-Alanine, conf. II
468284.6944 19.1830 -3.2697 3 725.3695513 89503 303852461 842460 a-Alanine, conf. II
468342.3276 31.4985 -3.7965 3 872.2177501 89503 303835726 825725 a-Alanine, conf. II
468342.3276 31.4985 -3.7965 3 872.2177501 89503 303835727 825726 a-Alanine, conf. II
468383.8072 31.6054 -3.4498 3 765.6055495 89503 303824438 814437 a-Alanine, conf. II
468383.8072 31.6054 -3.4498 3 765.6055495 89503 303824439 814438 a-Alanine, conf. II
468398.1419 8.3894 -3.8504 3 362.9275303 89503 3035044 6 4943 7 a-Alanine, conf. II
468398.1419 8.3894 -3.8504 3 362.9275303 89503 3035044 7 4943 6 a-Alanine, conf. II
468433.5506105.2621 -3.3021 3 792.2814591 89503 30398 692 97 691 a-Alanine, conf. II
468433.5506105.2621 -4.4294 3 792.2814591 89503 30398 692 97 791 a-Alanine, conf. II
468433.5506105.2621 -4.4294 3 792.2814591 89503 30398 792 97 691 a-Alanine, conf. II
468433.5506105.2621 -3.3021 3 792.2814591 89503 30398 792 97 791 a-Alanine, conf. II
468467.1059 22.7801 -3.2934 3 748.3526531 89503 303882068 872067 a-Alanine, conf. II
468467.1059 22.7801 -4.5622 3 748.3526531 89503 303882068 872167 a-Alanine, conf. II
468467.1059 22.7801 -4.5622 3 748.3526531 89503 303882168 872067 a-Alanine, conf. II
468467.1059 22.7801 -3.2934 3 748.3526531 89503 303882168 872167 a-Alanine, conf. II
468478.8644 6.1004 -4.0539 3 306.0788327 89503 303542332 532133 a-Alanine, conf. II
468479.1572 35.5851 -3.3086 3 775.6927561 89503 303931380 921379 a-Alanine, conf. II
468479.1572 35.5851 -4.4901 3 775.6927561 89503 303931380 921479 a-Alanine, conf. II
468479.1572 35.5851 -4.4901 3 775.6927561 89503 303931480 921379 a-Alanine, conf. II
468479.1572 35.5851 -3.3086 3 775.6927561 89503 303931480 921479 a-Alanine, conf. II
468570.0368 2.2875 -4.1678 3 261.4524297 89503 303492524 482325 a-Alanine, conf. II
468630.8991 7.6047 -4.1495 3 274.9366315 89503 303521834 511635 a-Alanine, conf. II
468636.3127 2.2810 -4.1677 3 261.4502297 89503 303492525 482326 a-Alanine, conf. II
468639.4251 31.5193 -3.7661 3 864.2552501 89503 303835627 825626 a-Alanine, conf. II
468639.4251 31.5193 -3.7661 3 864.2552501 89503 303835628 825627 a-Alanine, conf. II
468754.4991 9.0960 -4.0636 3 303.5188327 89503 303542233 532034 a-Alanine, conf. II
468770.5370 37.1065 -3.2295 3 684.9877483 89503 303803447 793446 a-Alanine, conf. II
468878.8989183.2859 -3.2923 3 799.2317609 89503 303A1 299 A0 298 a-Alanine, conf. II
468878.8989183.2859 -4.3968 3 799.2317609 89503 303A1 299 A0 398 a-Alanine, conf. II
468878.8989183.2859 -4.3968 3 799.2317609 89503 303A1 399 A0 298 a-Alanine, conf. II
468878.8989183.2859 -3.2923 3 799.2317609 89503 303A1 399 A0 398 a-Alanine, conf. II
468955.2586 31.5567 -3.7366 3 856.4482501 89503 303835528 825527 a-Alanine, conf. II
468955.2586 31.5567 -3.7366 3 856.4482501 89503 303835529 825528 a-Alanine, conf. II
468985.1528 3.8660 -4.0769 3 390.2266351 89503 303583424 573325 a-Alanine, conf. II
468985.1528 3.8660 -4.0769 3 390.2266351 89503 303583425 573324 a-Alanine, conf. II
469066.3361 4.8521 -3.9451 3 372.8963327 89503 303543915 533816 a-Alanine, conf. II
469066.3361 4.8521 -3.9451 3 372.8963327 89503 303543916 533815 a-Alanine, conf. II
469082.8595 26.5982 -3.3077 3 767.5421549 89503 303911675 901674 a-Alanine, conf. II
469082.8595 26.5982 -4.5207 3 767.5421549 89503 303911675 901774 a-Alanine, conf. II
469082.8595 26.5982 -4.5207 3 767.5421549 89503 303911775 901674 a-Alanine, conf. II
469082.8595 26.5982 -3.3077 3 767.5421549 89503 303911775 901774 a-Alanine, conf. II
469122.2479 17.1723 -3.1952 3 674.3672483 89503 303803150 793149 a-Alanine, conf. II
469130.1716 32.0834 -3.4284 3 759.7665495 89503 303824339 814338 a-Alanine, conf. II
469130.1716 32.0834 -3.4284 3 759.7665495 89503 303824340 814339 a-Alanine, conf. II
469131.5762 66.7718 -3.3102 3 788.6923579 89503 30396 987 95 986 a-Alanine, conf. II
469131.5762 66.7718 -4.4579 3 788.6923579 89503 30396 987 951086 a-Alanine, conf. II
469131.5762 66.7718 -4.4579 3 788.6923579 89503 303961087 95 986 a-Alanine, conf. II
469131.5762 66.7718 -3.3102 3 788.6923579 89503 303961087 951086 a-Alanine, conf. II
469291.5069 31.6123 -3.7079 3 848.7978501 89503 303835429 825428 a-Alanine, conf. II
469291.5069 31.6123 -3.7079 3 848.7978501 89503 303835430 825429 a-Alanine, conf. II
469354.2420 4.3666 -4.4844 3 206.8475249 89503 303412912 402713 a-Alanine, conf. II
469354.2420 4.3666 -4.4844 3 206.8475249 89503 303412913 402714 a-Alanine, conf. II
469368.3022 20.5708 -4.6072 3 735.3836519 89503 303862363 852462 a-Alanine, conf. II
469368.3022 20.5708 -3.2814 3 735.3836519 89503 303862463 852462 a-Alanine, conf. II
469368.3023 20.5708 -3.2814 3 735.3836519 89503 303862363 852362 a-Alanine, conf. II
469368.3023 20.5708 -4.6072 3 735.3836519 89503 303862463 852362 a-Alanine, conf. II
469451.2963 10.6765 -4.1236 3 287.7562321 89503 303531934 521735 a-Alanine, conf. II
469564.4360 35.4960 -3.2972 3 713.1539489 89503 303813745 803744 a-Alanine, conf. II
469576.4519 35.6327 -3.2972 3 713.1542489 89503 303813744 803743 a-Alanine, conf. II
469631.2363 6.9791 -4.1480 3 274.9379315 89503 303521934 511735 a-Alanine, conf. II
469650.0680 31.6881 -3.6801 3 841.3051501 89503 303835330 825329 a-Alanine, conf. II
469650.0680 31.6881 -3.6801 3 841.3051501 89503 303835331 825330 a-Alanine, conf. II
469672.9497 7.5236 -3.8695 3 366.2514309 89503 3035143 8 5042 9 a-Alanine, conf. II
469672.9497 7.5236 -3.8695 3 366.2514309 89503 3035143 9 5042 8 a-Alanine, conf. II
469675.3379123.6509 -3.3052 3 798.2362597 89503 30399 594 98 593 a-Alanine, conf. II
469675.3379123.6509 -4.4262 3 798.2362597 89503 30399 594 98 693 a-Alanine, conf. II
469675.3379123.6509 -4.4262 3 798.2362597 89503 30399 694 98 593 a-Alanine, conf. II
469675.3379123.6509 -3.3052 3 798.2362597 89503 30399 694 98 693 a-Alanine, conf. II
469725.2770 23.7886 -3.3025 3 757.3870537 89503 303891970 881969 a-Alanine, conf. II
469725.2770 23.7886 -4.5548 3 757.3870537 89503 303891970 882069 a-Alanine, conf. II
469725.2770 23.7886 -4.5548 3 757.3870537 89503 303892070 881969 a-Alanine, conf. II
469725.2770 23.7886 -3.3025 3 757.3870537 89503 303892070 882069 a-Alanine, conf. II
469771.8450 41.8657 -3.3145 3 783.1619567 89503 303941282 931281 a-Alanine, conf. II
469771.8450 41.8657 -4.4864 3 783.1619567 89503 303941282 931381 a-Alanine, conf. II
469771.8450 41.8657 -4.4864 3 783.1619567 89503 303941382 931281 a-Alanine, conf. II
469771.8450 41.8657 -3.3145 3 783.1619567 89503 303941382 931381 a-Alanine, conf. II
469821.3133 4.1551 -4.1143 3 396.8750357 89503 303593327 583226 a-Alanine, conf. II
469821.3140 4.1551 -4.1143 3 396.8750357 89503 303593326 583227 a-Alanine, conf. II
469858.7918 14.0519 -3.2129 3 686.3578489 89503 303813052 803051 a-Alanine, conf. II
469877.7961 14.8646 -3.2312 3 697.9774495 89503 303822954 812953 a-Alanine, conf. II
469954.6753 32.6648 -3.4075 3 754.1105495 89503 303824241 814240 a-Alanine, conf. II
469954.6757 32.6648 -3.4075 3 754.1105495 89503 303824240 814239 a-Alanine, conf. II
469973.7175 14.9271 -3.2310 3 697.9711495 89503 303822854 812853 a-Alanine, conf. II
470033.0994 31.7864 -3.6531 3 833.9713501 89503 303835231 825230 a-Alanine, conf. II
470033.0994 31.7864 -3.6531 3 833.9713501 89503 303835232 825231 a-Alanine, conf. II
470052.2687 47.2674 -3.2271 3 685.0331483 89503 303803446 793445 a-Alanine, conf. II
470082.7288210.5345 -3.2939 3 804.3252615 89503 303A2 1A1 A1 1A0 a-Alanine, conf. II
470082.7288210.5345 -4.3933 3 804.3252615 89503 303A2 1A1 A1 2A0 a-Alanine, conf. II
470082.7288210.5345 -4.3933 3 804.3252615 89503 303A2 2A1 A1 1A0 a-Alanine, conf. II
470082.7288210.5345 -3.2939 3 804.3252615 89503 303A2 2A1 A1 2A0 a-Alanine, conf. II
470121.4005 5.5511 -4.3309 3 428.0146381 89503 303632935 622834 a-Alanine, conf. II
470123.6584 11.1260 -3.8094 3 363.8567291 89503 3034847 1 4746 2 a-Alanine, conf. II
470123.6584 11.1260 -3.8094 3 363.8567291 89503 3034847 2 4746 1 a-Alanine, conf. II
470199.1338 12.7070 -3.1286 3 642.3439471 89503 303783048 773047 a-Alanine, conf. II
470209.8035 16.0827 -3.2477 3 709.2075501 89503 303832856 822855 a-Alanine, conf. II
470216.4159 16.0921 -3.2476 3 709.2071501 89503 303832756 822755 a-Alanine, conf. II
470248.2351 4.3844 -3.9705 3 377.8132333 89503 303553817 543718 a-Alanine, conf. II
470248.2351 4.3844 -3.9705 3 377.8132333 89503 303553818 543717 a-Alanine, conf. II
470379.3698 29.1988 -3.3149 3 775.6758555 89503 303921577 911576 a-Alanine, conf. II
470379.3698 29.1988 -4.5161 3 775.6758555 89503 303921577 911676 a-Alanine, conf. II
470379.3698 29.1988 -4.5161 3 775.6758555 89503 303921677 911576 a-Alanine, conf. II
470379.3698 29.1988 -3.3149 3 775.6758555 89503 303921677 911676 a-Alanine, conf. II
470398.6175 79.6743 -3.3145 3 795.3011585 89503 30397 889 96 888 a-Alanine, conf. II
470398.6175 79.6743 -4.4548 3 795.3011585 89503 30397 889 96 988 a-Alanine, conf. II
470398.6175 79.6743 -4.4548 3 795.3011585 89503 30397 989 96 888 a-Alanine, conf. II
470398.6175 79.6743 -3.3145 3 795.3011585 89503 30397 989 96 988 a-Alanine, conf. II
470443.0676 31.9102 -3.6268 3 826.7978501 89503 303835132 825131 a-Alanine, conf. II
470443.0676 31.9102 -3.6268 3 826.7978501 89503 303835133 825132 a-Alanine, conf. II
470487.7093 4.5692 -4.1561 3 403.9487363 89503 303603229 593128 a-Alanine, conf. II
470487.7389 4.5692 -4.1561 3 403.9487363 89503 303603228 593129 a-Alanine, conf. II
470521.9972 21.8554 -3.2923 3 745.1501525 89503 303872265 862264 a-Alanine, conf. II
470521.9972 21.8554 -4.5957 3 745.1501525 89503 303872265 862364 a-Alanine, conf. II
470521.9972 21.8554 -4.5957 3 745.1501525 89503 303872365 862264 a-Alanine, conf. II
470521.9972 21.8554 -3.2923 3 745.1501525 89503 303872365 862364 a-Alanine, conf. II
470523.5652 6.3652 -4.3302 3 428.0044381 89503 303632934 622835 a-Alanine, conf. II
470540.7409 34.1234 -3.2130 3 681.2822483 89503 303803348 793347 a-Alanine, conf. II
470545.2363 3.6049 -4.3863 3 218.9136261 89503 303432815 422616 a-Alanine, conf. II
470545.2363 3.6049 -4.3863 3 218.9136261 89503 303432816 422617 a-Alanine, conf. II
470614.9706 2.8412 -4.2610 3 246.6077303 89503 303501535 491336 a-Alanine, conf. II
470624.4298 2.8373 -4.2609 3 246.6077303 89503 303501635 491436 a-Alanine, conf. II
470651.3980 34.8430 -4.5877 3 1056.9171507 89503 3038475 9 8375 8 a-Alanine, conf. II
470651.3980 34.8430 -4.5877 3 1056.9171507 89503 303847510 8375 9 a-Alanine, conf. II
470691.2656 2.5031 -4.2319 3 246.1562285 89503 303472621 462422 a-Alanine, conf. II
470692.2562 2.5029 -4.2319 3 246.1562285 89503 303472622 462423 a-Alanine, conf. II
470771.6839 34.6901 -4.5222 3 1046.2593507 89503 303847410 8374 9 a-Alanine, conf. II
470771.6839 34.6901 -4.5222 3 1046.2593507 89503 303847411 837410 a-Alanine, conf. II
470862.7411 10.7660 -4.4263 3 437.1115387 89503 303642836 632737 a-Alanine, conf. II
470866.1079 17.4710 -3.2625 3 720.0957507 89503 303842758 832757 a-Alanine, conf. II
470866.4708 17.4718 -3.2625 3 720.0957507 89503 303842658 832657 a-Alanine, conf. II
470872.0962 33.3792 -3.3872 3 748.6428495 89503 303824142 814141 a-Alanine, conf. II
470872.1009 33.3793 -3.3872 3 748.6428495 89503 303824141 814140 a-Alanine, conf. II
470882.8111 32.0627 -3.6013 3 819.7861501 89503 303835033 825032 a-Alanine, conf. II
470882.8111 32.0627 -3.6013 3 819.7861501 89503 303835034 825033 a-Alanine, conf. II
470890.8824 14.4561 -3.2107 3 686.2848489 89503 303812952 802951 a-Alanine, conf. II
470897.7945 34.5451 -4.4615 3 1035.7483507 89503 303847311 837310 a-Alanine, conf. II
470897.7945 34.5451 -4.4615 3 1035.7483507 89503 303847312 837311 a-Alanine, conf. II
470906.0956 5.0616 -4.2038 3 411.4708369 89503 303613131 603030 a-Alanine, conf. II
470906.8911144.3265 -3.3080 3 803.9866603 89503 303A0 496 99 495 a-Alanine, conf. II
470906.8911144.3265 -4.4231 3 803.9866603 89503 303A0 496 99 595 a-Alanine, conf. II
470906.8911144.3265 -4.4231 3 803.9866603 89503 303A0 596 99 495 a-Alanine, conf. II
470906.8911144.3265 -3.3080 3 803.9866603 89503 303A0 596 99 595 a-Alanine, conf. II
470907.0258 5.0637 -4.2038 3 411.4708369 89503 303613130 603031 a-Alanine, conf. II
470917.7636 25.8737 -3.2010 3 677.7914483 89503 303803249 793248 a-Alanine, conf. II
470931.3534 5.5454 -4.2602 3 419.4742375 89503 303623033 612932 a-Alanine, conf. II
470935.8487 6.7188 -3.8898 3 369.9270315 89503 303524210 514111 a-Alanine, conf. II
470935.8487 6.7188 -3.8898 3 369.9270315 89503 303524211 514110 a-Alanine, conf. II
470953.7406 5.5952 -4.2602 3 419.4736375 89503 303623032 612933 a-Alanine, conf. II
471000.5017 24.8890 -3.3111 3 766.2022543 89503 303901872 891871 a-Alanine, conf. II
471000.5017 24.8890 -4.5485 3 766.2022543 89503 303901872 891971 a-Alanine, conf. II
471000.5017 24.8890 -4.5485 3 766.2022543 89503 303901972 891871 a-Alanine, conf. II
471000.5017 24.8890 -3.3111 3 766.2022543 89503 303901972 891971 a-Alanine, conf. II
471030.0606 34.4079 -4.4046 3 1025.3846507 89503 303847212 837211 a-Alanine, conf. II
471030.0606 34.4079 -4.4046 3 1025.3846507 89503 303847213 837212 a-Alanine, conf. II
471058.7554 49.8215 -3.3200 3 790.4260573 89503 303951184 941183 a-Alanine, conf. II
471058.7554 49.8215 -4.4830 3 790.4260573 89503 303951184 941283 a-Alanine, conf. II
471058.7554 49.8215 -4.4830 3 790.4260573 89503 303951284 941183 a-Alanine, conf. II
471058.7554 49.8215 -3.3200 3 790.4260573 89503 303951284 941283 a-Alanine, conf. II
471108.6964 2.9645 -4.3037 3 232.0012273 89503 303452718 442519 a-Alanine, conf. II
471108.7044 2.9645 -4.3037 3 232.0012273 89503 303452719 442520 a-Alanine, conf. II
471168.8383 34.2788 -4.3511 3 1015.1684507 89503 303847113 837112 a-Alanine, conf. II
471168.8383 34.2788 -4.3511 3 1015.1684507 89503 303847114 837113 a-Alanine, conf. II
471276.3461240.5782 -3.2952 3 809.2123621 89503 303A3 0A3 A2 0A2 a-Alanine, conf. II
471276.3461240.5782 -4.3898 3 809.2123621 89503 303A3 0A3 A2 1A2 a-Alanine, conf. II
471276.3461240.5782 -4.3898 3 809.2123621 89503 303A3 1A3 A2 0A2 a-Alanine, conf. II
471276.3461240.5782 -3.2952 3 809.2123621 89503 303A3 1A3 A2 1A2 a-Alanine, conf. II
471293.6982 37.4974 -3.2785 3 708.7140489 89503 303813646 803645 a-Alanine, conf. II
471314.5126 34.1580 -4.3005 3 1005.0999507 89503 303847014 837013 a-Alanine, conf. II
471314.5126 34.1580 -4.3005 3 1005.0999507 89503 303847015 837014 a-Alanine, conf. II
471355.6201 32.2482 -3.5765 3 812.9379501 89503 303834934 824933 a-Alanine, conf. II
471355.6201 32.2482 -3.5765 3 812.9379501 89503 303834935 824934 a-Alanine, conf. II
471375.8094 38.3473 -3.2784 3 708.7163489 89503 303813645 803644 a-Alanine, conf. II
471381.1619 2.8104 -4.0810 3 298.1623321 89503 303532430 522231 a-Alanine, conf. II
471388.8768 4.0628 -3.9978 3 383.1025339 89503 303563719 553620 a-Alanine, conf. II
471388.8768 4.0628 -3.9978 3 383.1025339 89503 303563720 553619 a-Alanine, conf. II
471416.3756 10.1059 -3.8259 3 366.3340297 89503 3034946 3 4845 4 a-Alanine, conf. II
471416.3756 10.1059 -3.8259 3 366.3340297 89503 3034946 4 4845 3 a-Alanine, conf. II
471467.4994 34.0455 -4.2525 3 995.1796507 89503 303846915 836914 a-Alanine, conf. II
471467.4994 34.0455 -4.2525 3 995.1796507 89503 303846916 836915 a-Alanine, conf. II
471579.8362 24.6563 -4.5274 3 434.1605387 89503 303642737 632638 a-Alanine, conf. II
471628.2494 33.9417 -4.2066 3 985.4077507 89503 303846816 836815 a-Alanine, conf. II
471628.2494 33.9417 -4.2066 3 985.4077507 89503 303846817 836816 a-Alanine, conf. II
471656.3987 94.5784 -3.3184 3 801.7060591 89503 30398 791 97 790 a-Alanine, conf. II
471656.3987 94.5784 -4.4518 3 801.7060591 89503 30398 791 97 890 a-Alanine, conf. II
471656.3987 94.5784 -4.4518 3 801.7060591 89503 30398 891 97 790 a-Alanine, conf. II
471656.3987 94.5784 -3.3184 3 801.7060591 89503 30398 891 97 890 a-Alanine, conf. II
471675.6941 32.9276 -3.3217 3 783.6011561 89503 303931479 921478 a-Alanine, conf. II
471675.6941 32.9276 -4.5120 3 783.6011561 89503 303931479 921578 a-Alanine, conf. II
471675.6941 32.9276 -4.5120 3 783.6011561 89503 303931579 921478 a-Alanine, conf. II
471675.6941 32.9276 -3.3217 3 783.6011561 89503 303931579 921578 a-Alanine, conf. II
471724.4560 23.0201 -3.3026 3 754.6793531 89503 303882167 872166 a-Alanine, conf. II
471724.4560 23.0201 -4.5861 3 754.6793531 89503 303882167 872266 a-Alanine, conf. II
471724.4560 23.0201 -4.5861 3 754.6793531 89503 303882267 872166 a-Alanine, conf. II
471724.4560 23.0201 -3.3026 3 754.6793531 89503 303882267 872266 a-Alanine, conf. II
471734.8361 18.9554 -3.2760 3 730.6810513 89503 303852660 842659 a-Alanine, conf. II
471734.8525 18.9554 -3.2760 3 730.6810513 89503 303852560 842559 a-Alanine, conf. II
471783.6025 46.7057 -3.1307 3 644.5855471 89503 303783147 773146 a-Alanine, conf. II
471797.2516 33.8467 -4.1628 3 975.7846507 89503 303846717 836716 a-Alanine, conf. II
471797.2516 33.8467 -4.1628 3 975.7846507 89503 303846718 836717 a-Alanine, conf. II
471865.3405 32.4720 -3.5523 3 806.2552501 89503 303834835 824834 a-Alanine, conf. II
471865.3405 32.4720 -3.5523 3 806.2552501 89503 303834836 824835 a-Alanine, conf. II
471902.0508 34.2695 -3.3673 3 743.3701495 89503 303824043 814042 a-Alanine, conf. II
471902.0978 34.2702 -3.3673 3 743.3701495 89503 303824042 814041 a-Alanine, conf. II
471975.0376 33.7610 -4.1208 3 966.3107507 89503 303846618 836617 a-Alanine, conf. II
471975.0376 33.7610 -4.1208 3 966.3107507 89503 303846619 836618 a-Alanine, conf. II
472128.1341167.4251 -3.3104 3 809.5319609 89503 303A1 398 A0 397 a-Alanine, conf. II
472128.1341167.4251 -4.4200 3 809.5319609 89503 303A1 398 A0 497 a-Alanine, conf. II
472128.1341167.4251 -4.4200 3 809.5319609 89503 303A1 498 A0 397 a-Alanine, conf. II
472128.1341167.4251 -3.3104 3 809.5319609 89503 303A1 498 A0 497 a-Alanine, conf. II
472162.1864 33.6847 -4.0805 3 956.9864507 89503 303846519 836518 a-Alanine, conf. II
472162.1864 33.6847 -4.0805 3 956.9864507 89503 303846520 836519 a-Alanine, conf. II
472183.1163 5.9849 -3.9114 3 373.9578321 89503 303534112 524013 a-Alanine, conf. II
472183.1163 5.9849 -3.9114 3 373.9578321 89503 303534113 524012 a-Alanine, conf. II
472286.4684 26.2832 -3.3193 3 774.8018549 89503 303911774 901773 a-Alanine, conf. II
472286.4684 26.2832 -4.5430 3 774.8018549 89503 303911774 901873 a-Alanine, conf. II
472286.4684 26.2832 -4.5430 3 774.8018549 89503 303911874 901773 a-Alanine, conf. II
472286.4684 26.2832 -3.3193 3 774.8018549 89503 303911874 901873 a-Alanine, conf. II
472338.6575 59.5588 -3.3251 3 797.4856579 89503 303961086 951085 a-Alanine, conf. II
472338.6575 59.5588 -4.4799 3 797.4856579 89503 303961086 951185 a-Alanine, conf. II
472338.6575 59.5588 -4.4799 3 797.4856579 89503 303961186 951085 a-Alanine, conf. II
472338.6575 59.5588 -3.3251 3 797.4856579 89503 303961186 951185 a-Alanine, conf. II
472359.3301 33.6184 -4.0417 3 947.8121507 89503 303846420 836419 a-Alanine, conf. II
472359.3301 33.6184 -4.0417 3 947.8121507 89503 303846421 836420 a-Alanine, conf. II
472400.8234 8.6957 -4.1198 3 287.7612321 89503 303532034 521835 a-Alanine, conf. II
472416.5095 32.7404 -3.5288 3 799.7402501 89503 303834736 824735 a-Alanine, conf. II
472416.5095 32.7404 -3.5288 3 799.7402501 89503 303834737 824736 a-Alanine, conf. II
472423.2889 2.3567 -4.1517 3 270.9583303 89503 303502525 492326 a-Alanine, conf. II
472475.0595 3.9148 -4.0272 3 388.7715345 89503 303573621 563522 a-Alanine, conf. II
472475.0595 3.9148 -4.0272 3 388.7715345 89503 303573622 563521 a-Alanine, conf. II
472567.1600 33.5624 -4.0043 3 938.7885507 89503 303846321 836320 a-Alanine, conf. II
472567.1600 33.5624 -4.0043 3 938.7885507 89503 303846322 836321 a-Alanine, conf. II
472580.1500 2.3439 -4.1514 3 270.9529303 89503 303502526 492327 a-Alanine, conf. II
472663.1889 1.1071 -4.3580 3 230.8414297 89503 303491336 481137 a-Alanine, conf. II
472663.3686 1.1071 -4.3580 3 230.8414297 89503 303491436 481237 a-Alanine, conf. II
472703.3052 9.1367 -3.8434 3 369.1567303 89503 3035045 5 4944 6 a-Alanine, conf. II
472703.3052 9.1367 -3.8434 3 369.1567303 89503 3035045 6 4944 5 a-Alanine, conf. II
472741.5035 20.4447 -3.2886 3 740.9898519 89503 303862562 852561 a-Alanine, conf. II
472741.5042 20.4447 -3.2886 3 740.9898519 89503 303862462 852461 a-Alanine, conf. II
472786.4344 33.5174 -3.9681 3 929.9158507 89503 303846222 836221 a-Alanine, conf. II
472786.4344 33.5174 -3.9681 3 929.9158507 89503 303846223 836222 a-Alanine, conf. II
472904.5010111.5936 -3.3220 3 807.9067597 89503 30399 693 98 692 a-Alanine, conf. II
472904.5010111.5936 -4.4488 3 807.9067597 89503 30399 693 98 792 a-Alanine, conf. II
472904.5010111.5936 -4.4488 3 807.9067597 89503 30399 793 98 692 a-Alanine, conf. II
472904.5010111.5936 -3.3220 3 807.9067597 89503 30399 793 98 792 a-Alanine, conf. II
472960.8844 24.0892 -3.3124 3 763.9790537 89503 303892069 882068 a-Alanine, conf. II
472960.8844 24.0892 -4.5781 3 763.9790537 89503 303892069 882168 a-Alanine, conf. II
472960.8844 24.0892 -4.5781 3 763.9790537 89503 303892169 882068 a-Alanine, conf. II
472960.8844 24.0892 -3.3124 3 763.9790537 89503 303892169 882168 a-Alanine, conf. II
472969.4296 38.0542 -3.3281 3 791.3195567 89503 303941381 931380 a-Alanine, conf. II
472969.4296 38.0542 -4.5083 3 791.3195567 89503 303941381 931480 a-Alanine, conf. II
472969.4296 38.0542 -4.5083 3 791.3195567 89503 303941481 931380 a-Alanine, conf. II
472969.4296 38.0542 -3.3281 3 791.3195567 89503 303941481 931480 a-Alanine, conf. II
473014.5379 33.0618 -3.5060 3 793.3955501 89503 303834637 824636 a-Alanine, conf. II
473014.5379 33.0618 -3.5060 3 793.3955501 89503 303834638 824637 a-Alanine, conf. II
473017.9868 33.4839 -3.9332 3 921.1948507 89503 303846123 836122 a-Alanine, conf. II
473017.9868 33.4839 -3.9332 3 921.1948507 89503 303846124 836123 a-Alanine, conf. II
473071.4373 35.3995 -3.3479 3 738.3006495 89503 303823944 813943 a-Alanine, conf. II
473071.8687 35.4054 -3.3479 3 738.3006495 89503 303823943 813942 a-Alanine, conf. II
473073.1093 5.1050 -4.5628 3 203.1475243 89503 303403010 392811 a-Alanine, conf. II
473073.1093 5.1050 -4.5628 3 203.1475243 89503 303403011 392812 a-Alanine, conf. II
473089.9031 26.5448 -4.0587 3 338.1060345 89503 303572235 562036 a-Alanine, conf. II
473196.4508 13.3290 -3.1533 3 658.0281477 89503 303793049 783048 a-Alanine, conf. II
473262.7362 33.4626 -3.8995 3 912.6260507 89503 303846024 836023 a-Alanine, conf. II
473262.7362 33.4626 -3.8995 3 912.6260507 89503 303846025 836024 a-Alanine, conf. II
473305.7257 39.4071 -3.2600 3 704.5316489 89503 303813547 803546 a-Alanine, conf. II
473339.0883193.0912 -3.3125 3 814.8718615 89503 303A2 2A0 A1 299 a-Alanine, conf. II
473339.0883193.0912 -4.4168 3 814.8718615 89503 303A2 2A0 A1 399 a-Alanine, conf. II
473339.0883193.0912 -4.4168 3 814.8718615 89503 303A2 3A0 A1 299 a-Alanine, conf. II
473339.0883193.0912 -3.3125 3 814.8718615 89503 303A2 3A0 A1 399 a-Alanine, conf. II
473364.4952 1.2699 -4.4766 3 215.0516291 89503 303481137 47 938 a-Alanine, conf. II
473364.4974 1.2699 -4.4766 3 215.0516291 89503 303481237 471038 a-Alanine, conf. II
473409.9516 5.3365 -3.9343 3 378.3474327 89503 303544014 533915 a-Alanine, conf. II
473409.9516 5.3365 -3.9343 3 378.3474327 89503 303544015 533914 a-Alanine, conf. II
473488.7207 3.9543 -4.0592 3 394.8291351 89503 303583523 573424 a-Alanine, conf. II
473488.7207 3.9543 -4.0592 3 394.8291351 89503 303583524 573423 a-Alanine, conf. II
473521.6988 33.4545 -3.8668 3 904.2101507 89503 303845925 835924 a-Alanine, conf. II
473521.6988 33.4545 -3.8668 3 904.2101507 89503 303845926 835925 a-Alanine, conf. II
473578.3686 28.2450 -3.3270 3 783.1890555 89503 303921676 911675 a-Alanine, conf. II
473578.3686 28.2450 -4.5382 3 783.1890555 89503 303921676 911775 a-Alanine, conf. II
473578.3686 28.2450 -4.5382 3 783.1890555 89503 303921776 911675 a-Alanine, conf. II
473578.3686 28.2450 -3.3270 3 783.1890555 89503 303921776 911775 a-Alanine, conf. II
473610.5960 71.1700 -3.3299 3 804.3409585 89503 30397 988 96 987 a-Alanine, conf. II
473610.5960 71.1700 -4.4769 3 804.3409585 89503 30397 988 961087 a-Alanine, conf. II
473610.5960 71.1700 -4.4769 3 804.3409585 89503 303971088 96 987 a-Alanine, conf. II
473610.5960 71.1700 -3.3299 3 804.3409585 89503 303971088 961087 a-Alanine, conf. II
473665.9586 33.4467 -3.4837 3 787.2240501 89503 303834538 824537 a-Alanine, conf. II
473665.9586 33.4467 -3.4837 3 787.2240501 89503 303834539 824538 a-Alanine, conf. II
473763.5356 16.1660 -3.2137 3 690.0154489 89503 303813151 803150 a-Alanine, conf. II
473788.0510 43.8672 -3.2591 3 704.5472489 89503 303813546 803545 a-Alanine, conf. II
473796.0017 33.4604 -3.8351 3 895.9478507 89503 303845826 835825 a-Alanine, conf. II
473796.0017 33.4604 -3.8351 3 895.9478507 89503 303845827 835826 a-Alanine, conf. II
473841.0237 21.8654 -3.3004 3 751.0401525 89503 303872464 862463 a-Alanine, conf. II
473841.0238 21.8654 -3.3004 3 751.0401525 89503 303872364 862363 a-Alanine, conf. II
473982.5007 8.2215 -3.8619 3 372.3271309 89503 3035144 7 5043 8 a-Alanine, conf. II
473982.5007 8.2215 -3.8619 3 372.3271309 89503 3035144 8 5043 7 a-Alanine, conf. II
474070.2261 14.8487 -3.2325 3 702.0306495 89503 303823053 813052 a-Alanine, conf. II
474086.8998 33.4816 -3.8043 3 887.8399507 89503 303845727 835726 a-Alanine, conf. II
474086.8998 33.4816 -3.8043 3 887.8399507 89503 303845728 835727 a-Alanine, conf. II
474129.4538 15.8932 -3.2506 3 713.6508501 89503 303832955 822954 a-Alanine, conf. II
474142.6473130.8398 -3.3253 3 813.9029603 89503 303A0 595 99 594 a-Alanine, conf. II
474142.6473130.8398 -4.4460 3 813.9029603 89503 303A0 595 99 694 a-Alanine, conf. II
474142.6473130.8398 -4.4460 3 813.9029603 89503 303A0 695 99 594 a-Alanine, conf. II
474142.6473130.8398 -3.3253 3 813.9029603 89503 303A0 695 99 694 a-Alanine, conf. II
474176.9707 15.9344 -3.2505 3 713.6478501 89503 303832855 822854 a-Alanine, conf. II
474220.6587 25.1399 -3.3217 3 773.0554543 89503 303901971 891970 a-Alanine, conf. II
474220.6587 25.1399 -4.5713 3 773.0554543 89503 303901971 892070 a-Alanine, conf. II
474220.6587 25.1399 -4.5713 3 773.0554543 89503 303902071 891970 a-Alanine, conf. II
474220.6587 25.1399 -3.3217 3 773.0554543 89503 303902071 892070 a-Alanine, conf. II
474258.6877 44.7792 -3.3341 3 798.8318573 89503 303951283 941282 a-Alanine, conf. II
474258.6877 44.7792 -4.5050 3 798.8318573 89503 303951283 941382 a-Alanine, conf. II
474258.6877 44.7792 -4.5050 3 798.8318573 89503 303951383 941282 a-Alanine, conf. II
474258.6877 44.7792 -3.3341 3 798.8318573 89503 303951383 941382 a-Alanine, conf. II
474269.0115 63.8630 -3.1655 3 662.7923477 89503 303793247 783246 a-Alanine, conf. II
474378.7744 33.9091 -3.4620 3 781.2291501 89503 303834439 824438 a-Alanine, conf. II
474378.7744 33.9091 -3.4620 3 781.2291501 89503 303834440 824439 a-Alanine, conf. II
474395.7949 33.5193 -3.7745 3 879.8873507 89503 303845628 835627 a-Alanine, conf. II
474395.7949 33.5193 -3.7745 3 879.8873507 89503 303845629 835628 a-Alanine, conf. II
474404.5150 4.1723 -4.0941 3 401.2864357 89503 303593426 583325 a-Alanine, conf. II
474404.5151 4.1723 -4.0941 3 401.2864357 89503 303593425 583326 a-Alanine, conf. II
474418.1641 36.8620 -3.3288 3 733.4449495 89503 303823845 813844 a-Alanine, conf. II
474421.7292 36.9073 -3.3288 3 733.4450495 89503 303823844 813843 a-Alanine, conf. II
474422.4555 12.0123 -3.8041 3 370.5358291 89503 3034848 0 4747 1 a-Alanine, conf. II
474422.4555 12.0123 -3.8041 3 370.5358291 89503 3034848 1 4747 0 a-Alanine, conf. II
474539.8634221.4775 -3.3143 3 820.0055621 89503 303A3 1A2 A2 1A1 a-Alanine, conf. II
474539.8634221.4775 -4.4136 3 820.0055621 89503 303A3 1A2 A2 2A1 a-Alanine, conf. II
474539.8634221.4775 -4.4136 3 820.0055621 89503 303A3 2A2 A2 1A1 a-Alanine, conf. II
474539.8634221.4775 -3.3143 3 820.0055621 89503 303A3 2A2 A2 2A1 a-Alanine, conf. II
474551.0733 17.2053 -3.2669 3 724.8920507 89503 303842857 832856 a-Alanine, conf. II
474554.1515 17.2106 -3.2669 3 724.8918507 89503 303842757 832756 a-Alanine, conf. II
474578.4005 4.2597 -4.4506 3 214.6257255 89503 303422913 412714 a-Alanine, conf. II
474578.4005 4.2597 -4.4506 3 214.6257255 89503 303422914 412715 a-Alanine, conf. II
474584.8802 5.5113 -4.3631 3 440.3006387 89503 303642936 632835 a-Alanine, conf. II
474610.1237 4.7949 -3.9587 3 383.1004333 89503 303553916 543817 a-Alanine, conf. II
474610.1237 4.7949 -3.9587 3 383.1004333 89503 303553917 543816 a-Alanine, conf. II
474629.6269 15.0638 -3.2313 3 701.9920495 89503 303822953 812952 a-Alanine, conf. II
474657.9368 4.0983 -4.2236 3 259.1037309 89503 303511635 501436 a-Alanine, conf. II
474696.2980 4.0782 -4.2235 3 259.1038309 89503 303511735 501536 a-Alanine, conf. II
474724.2602 33.5753 -3.7455 3 872.0909507 89503 303845529 835528 a-Alanine, conf. II
474724.2602 33.5753 -3.7455 3 872.0909507 89503 303845530 835529 a-Alanine, conf. II
474872.4903 31.0942 -3.3344 3 791.3660561 89503 303931578 921577 a-Alanine, conf. II
474872.4903 31.0942 -4.5340 3 791.3660561 89503 303931578 921677 a-Alanine, conf. II
474872.4903 31.0942 -4.5340 3 791.3660561 89503 303931678 921577 a-Alanine, conf. II
474872.4903 31.0942 -3.3344 3 791.3660561 89503 303931678 921677 a-Alanine, conf. II
474873.8420 84.7486 -3.3344 3 810.9919591 89503 30398 890 97 889 a-Alanine, conf. II
474873.8420 84.7486 -4.4741 3 810.9919591 89503 30398 890 97 989 a-Alanine, conf. II
474873.8420 84.7486 -4.4741 3 810.9919591 89503 30398 990 97 889 a-Alanine, conf. II
474873.8420 84.7486 -3.3344 3 810.9919591 89503 30398 990 97 989 a-Alanine, conf. II
475004.6510 23.1728 -3.3115 3 760.8450531 89503 303882266 872265 a-Alanine, conf. II
475004.6510 23.1728 -3.3115 3 760.8450531 89503 303882366 872365 a-Alanine, conf. II
475074.0686 33.6513 -3.7174 3 864.4517507 89503 303845430 835429 a-Alanine, conf. II
475074.0686 33.6513 -3.7174 3 864.4517507 89503 303845431 835430 a-Alanine, conf. II
475162.9577 34.4675 -3.4409 3 775.4150501 89503 303834341 824340 a-Alanine, conf. II
475162.9578 34.4675 -3.4409 3 775.4150501 89503 303834340 824339 a-Alanine, conf. II
475185.6557 4.5397 -4.1328 3 408.1574363 89503 303603328 593227 a-Alanine, conf. II
475185.6579 4.5397 -4.1328 3 408.1574363 89503 303603327 593228 a-Alanine, conf. II
475197.5771 2.4984 -4.2128 3 255.1999291 89503 303482622 472423 a-Alanine, conf. II
475200.3139 2.4979 -4.2128 3 255.1998291 89503 303482623 472424 a-Alanine, conf. II
475251.4762 7.3653 -3.8815 3 375.8477315 89503 3035243 9 514210 a-Alanine, conf. II
475251.4762 7.3653 -3.8815 3 375.8477315 89503 303524310 5142 9 a-Alanine, conf. II
475266.3768 18.6783 -3.2817 3 735.8021513 89503 303852759 842758 a-Alanine, conf. II
475266.5376 18.6787 -3.2817 3 735.8021513 89503 303852659 842658 a-Alanine, conf. II
475274.1386 10.1888 -4.0946 3 300.7694327 89503 303542134 531935 a-Alanine, conf. II
475370.6829152.4471 -3.3282 3 819.6943609 89503 303A1 497 A0 496 a-Alanine, conf. II
475370.6829152.4471 -4.4431 3 819.6943609 89503 303A1 497 A0 596 a-Alanine, conf. II
475370.6829152.4471 -4.4431 3 819.6943609 89503 303A1 597 A0 496 a-Alanine, conf. II
475370.6829152.4471 -3.3282 3 819.6943609 89503 303A1 597 A0 596 a-Alanine, conf. II
475387.2586 39.1824 -3.2423 3 700.6242489 89503 303813448 803447 a-Alanine, conf. II
475447.2281 33.7496 -3.6901 3 856.9710507 89503 303845331 835330 a-Alanine, conf. II
475447.2281 33.7496 -3.6901 3 856.9710507 89503 303845332 835331 a-Alanine, conf. II
475450.0747 3.4967 -4.0699 3 308.5604327 89503 303542431 532232 a-Alanine, conf. II
475454.5078 7.2865 -4.3618 3 440.2787387 89503 303642935 632836 a-Alanine, conf. II
475495.9448 26.3154 -3.3305 3 781.9131549 89503 303911873 901872 a-Alanine, conf. II
475495.9448 26.3154 -4.5655 3 781.9131549 89503 303911873 901972 a-Alanine, conf. II
475495.9448 26.3154 -4.5655 3 781.9131549 89503 303911973 901872 a-Alanine, conf. II
475495.9448 26.3154 -3.3305 3 781.9131549 89503 303911973 901972 a-Alanine, conf. II
475541.9848 53.2432 -3.3398 3 806.1389579 89503 303961185 951184 a-Alanine, conf. II
475541.9848 53.2432 -4.5019 3 806.1389579 89503 303961185 951284 a-Alanine, conf. II
475541.9848 53.2432 -4.5019 3 806.1389579 89503 303961285 951184 a-Alanine, conf. II
475541.9848 53.2432 -3.3398 3 806.1389579 89503 303961285 951284 a-Alanine, conf. II
475599.3659 64.6203 -3.2028 3 681.5081483 89503 303803347 793346 a-Alanine, conf. II
475607.1698 17.1644 -3.1789 3 673.8122483 89503 303803050 793049 a-Alanine, conf. II
475618.3177 3.5125 -4.3589 3 227.1015267 89503 303442816 432617 a-Alanine, conf. II
475618.3178 3.5125 -4.3589 3 227.1015267 89503 303442817 432618 a-Alanine, conf. II
475716.9392 10.9436 -3.8201 3 372.8627297 89503 3034947 2 4846 3 a-Alanine, conf. II
475716.9392 10.9436 -3.8201 3 372.8627297 89503 3034947 3 4846 2 a-Alanine, conf. II
475730.6490252.7438 -3.3157 3 824.9324627 89503 303A4 0A4 A3 0A3 a-Alanine, conf. II
475730.6490252.7438 -4.4103 3 824.9324627 89503 303A4 0A4 A3 1A3 a-Alanine, conf. II
475730.6490252.7438 -4.4103 3 824.9324627 89503 303A4 1A4 A3 0A3 a-Alanine, conf. II
475730.6490252.7438 -3.3157 3 824.9324627 89503 303A4 1A4 A3 1A3 a-Alanine, conf. II
475775.4716 4.3879 -3.9848 3 388.2221339 89503 303563818 553719 a-Alanine, conf. II
475775.4716 4.3879 -3.9848 3 388.2221339 89503 303563819 553718 a-Alanine, conf. II
475776.1902 5.0159 -4.1763 3 415.4609369 89503 303613230 603129 a-Alanine, conf. II
475776.2744 5.0161 -4.1763 3 415.4609369 89503 303613229 603130 a-Alanine, conf. II
475846.0262 33.8729 -3.6635 3 849.6500507 89503 303845232 835231 a-Alanine, conf. II
475846.0262 33.8729 -3.6635 3 849.6500507 89503 303845233 835232 a-Alanine, conf. II
475859.8378 8.2320 -4.0544 3 316.6229333 89503 303552333 542134 a-Alanine, conf. II
475923.4737 6.0022 -4.2862 3 431.4790381 89503 303633034 622933 a-Alanine, conf. II
475960.6406 2.9036 -4.2810 3 240.6093279 89503 303462719 452520 a-Alanine, conf. II
475960.6665 2.9036 -4.2810 3 240.6093279 89503 303462720 452521 a-Alanine, conf. II
475976.9045 6.1265 -4.2861 3 431.4777381 89503 303633033 622934 a-Alanine, conf. II
475994.3449 38.7572 -3.3100 3 728.8168495 89503 303823746 813745 a-Alanine, conf. II
475994.3519 2.4557 -4.1368 3 280.6831309 89503 303512526 502327 a-Alanine, conf. II
476020.5789 39.0631 -3.3100 3 728.8176495 89503 303823745 813744 a-Alanine, conf. II
476031.1926 35.1477 -3.4203 3 769.7865501 89503 303834242 824241 a-Alanine, conf. II
476031.1937 35.1477 -3.4203 3 769.7865501 89503 303834241 824240 a-Alanine, conf. II
476084.2440 5.5482 -4.2264 3 423.2222375 89503 303623132 613031 a-Alanine, conf. II
476086.6709 5.5541 -4.2264 3 423.2222375 89503 303623131 613032 a-Alanine, conf. II
476127.8558100.3962 -3.3385 3 817.4387597 89503 30399 792 98 791 a-Alanine, conf. II
476127.8558100.3962 -4.4714 3 817.4387597 89503 30399 792 98 891 a-Alanine, conf. II
476127.8558100.3962 -4.4714 3 817.4387597 89503 30399 892 98 791 a-Alanine, conf. II
476127.8558100.3962 -3.3385 3 817.4387597 89503 30399 892 98 891 a-Alanine, conf. II
476165.9397 35.1478 -3.3413 3 799.3346567 89503 303941480 931479 a-Alanine, conf. II
476165.9397 35.1478 -4.5303 3 799.3346567 89503 303941480 931579 a-Alanine, conf. II
476165.9397 35.1478 -4.5303 3 799.3346567 89503 303941580 931479 a-Alanine, conf. II
476165.9397 35.1478 -3.3413 3 799.3346567 89503 303941580 931579 a-Alanine, conf. II
476171.1309 20.2280 -3.2953 3 746.4164519 89503 303862661 852660 a-Alanine, conf. II
476171.1379 20.2280 -3.2953 3 746.4164519 89503 303862561 852560 a-Alanine, conf. II
476213.0440 24.3577 -3.3220 3 770.4143537 89503 303892168 882167 a-Alanine, conf. II
476213.0440 24.3577 -3.3220 3 770.4143537 89503 303892268 882267 a-Alanine, conf. II
476267.5165 36.7490 -4.5669 3 1072.6164513 89503 303857510 8475 9 a-Alanine, conf. II
476267.5165 36.7490 -4.5669 3 1072.6164513 89503 303857511 847510 a-Alanine, conf. II
476273.0836 34.0246 -3.6376 3 842.4901507 89503 303845133 835132 a-Alanine, conf. II
476273.0836 34.0246 -3.6376 3 842.4901507 89503 303845134 835133 a-Alanine, conf. II
476347.3491 23.6952 -3.2174 3 693.4995489 89503 303813250 803249 a-Alanine, conf. II
476351.1864 2.4267 -4.1363 3 280.6707309 89503 303512527 502328 a-Alanine, conf. II
476392.4316 36.6031 -4.5058 3 1061.9625513 89503 303857411 847410 a-Alanine, conf. II
476392.4316 36.6031 -4.5058 3 1061.9625513 89503 303857412 847411 a-Alanine, conf. II
476462.6993 7.0247 -4.0041 3 367.3594357 89503 303592534 582335 a-Alanine, conf. II
476507.0527 6.5761 -3.9023 3 379.7214321 89503 303534211 524112 a-Alanine, conf. II
476507.0527 6.5761 -3.9023 3 379.7214321 89503 303534212 524111 a-Alanine, conf. II
476523.3833 36.4653 -4.4487 3 1051.4558513 89503 303857312 847311 a-Alanine, conf. II
476523.3833 36.4653 -4.4487 3 1051.4558513 89503 303857313 847312 a-Alanine, conf. II
476588.5614176.5547 -3.3308 3 825.2804615 89503 303A2 399 A1 398 a-Alanine, conf. II
476588.5614176.5547 -4.4402 3 825.2804615 89503 303A2 399 A1 498 a-Alanine, conf. II
476588.5614176.5547 -4.4402 3 825.2804615 89503 303A2 499 A1 398 a-Alanine, conf. II
476588.5614176.5547 -3.3308 3 825.2804615 89503 303A2 499 A1 498 a-Alanine, conf. II
476660.7155 36.3356 -4.3948 3 1041.0965513 89503 303857213 847212 a-Alanine, conf. II
476660.7155 36.3356 -4.3948 3 1041.0965513 89503 303857214 847213 a-Alanine, conf. II
476731.4244 34.2086 -3.6125 3 835.4931507 89503 303845034 835033 a-Alanine, conf. II
476731.4244 34.2086 -3.6125 3 835.4931507 89503 303845035 835034 a-Alanine, conf. II
476771.9652 33.6595 -3.2271 3 696.9778489 89503 303813349 803348 a-Alanine, conf. II
476780.8450 27.8350 -3.3388 3 790.5556555 89503 303921775 911774 a-Alanine, conf. II
476780.8450 27.8350 -4.5605 3 790.5556555 89503 303921775 911874 a-Alanine, conf. II
476780.8450 27.8350 -4.5605 3 790.5556555 89503 303921875 911774 a-Alanine, conf. II
476780.8450 27.8350 -3.3388 3 790.5556555 89503 303921875 911874 a-Alanine, conf. II
476804.7992 36.2142 -4.3439 3 1030.8849513 89503 303857114 847113 a-Alanine, conf. II
476804.7992 36.2142 -4.3439 3 1030.8849513 89503 303857115 847114 a-Alanine, conf. II
476818.1610 63.5516 -3.3451 3 813.2411585 89503 303971087 961086 a-Alanine, conf. II
476818.1610 63.5516 -4.4991 3 813.2411585 89503 303971087 961186 a-Alanine, conf. II
476818.1610 63.5516 -4.4991 3 813.2411585 89503 303971187 961086 a-Alanine, conf. II
476818.1610 63.5516 -3.3451 3 813.2411585 89503 303971187 961186 a-Alanine, conf. II
476866.3781 4.2173 -3.9708 3 379.2933363 89503 303602535 592336 a-Alanine, conf. II
476895.1754 4.1455 -4.0128 3 393.7188345 89503 303573720 563621 a-Alanine, conf. II
476895.1754 4.1455 -4.0128 3 393.7188345 89503 303573721 563620 a-Alanine, conf. II
476956.0350 36.1013 -4.2955 3 1020.8213513 89503 303857015 847014 a-Alanine, conf. II
476956.0350 36.1013 -4.2955 3 1020.8213513 89503 303857016 847015 a-Alanine, conf. II
477000.0186 35.9859 -3.4001 3 764.3494501 89503 303834143 824142 a-Alanine, conf. II
477000.0306 35.9861 -3.4001 3 764.3494501 89503 303834142 824141 a-Alanine, conf. II
477006.4427 9.9256 -3.8371 3 375.5339303 89503 3035046 4 4945 5 a-Alanine, conf. II
477006.4427 9.9256 -3.8371 3 375.5339303 89503 3035046 5 4945 4 a-Alanine, conf. II
477114.8563 35.9971 -4.2493 3 1010.9060513 89503 303856916 846915 a-Alanine, conf. II
477114.8563 35.9971 -4.2493 3 1010.9060513 89503 303856917 846916 a-Alanine, conf. II
477135.2186 15.7809 -4.4709 3 449.6604393 89503 303652837 642738 a-Alanine, conf. II
477200.2779 21.7632 -3.3080 3 756.7587525 89503 303872563 862562 a-Alanine, conf. II
477200.2782 21.7632 -3.3080 3 756.7587525 89503 303872463 862462 a-Alanine, conf. II
477224.5643 34.4297 -3.5880 3 828.6607507 89503 303844935 834934 a-Alanine, conf. II
477224.5643 34.4297 -3.5880 3 828.6607507 89503 303844936 834935 a-Alanine, conf. II
477281.7328 35.9019 -4.2052 3 1001.1395513 89503 303856817 846816 a-Alanine, conf. II
477281.7328 35.9019 -4.2052 3 1001.1395513 89503 303856818 846817 a-Alanine, conf. II
477372.2576118.2250 -3.3423 3 823.6811603 89503 303A0 694 99 693 a-Alanine, conf. II
477372.2576118.2250 -4.4688 3 823.6811603 89503 303A0 694 99 793 a-Alanine, conf. II
477372.2576118.2250 -4.4688 3 823.6811603 89503 303A0 794 99 693 a-Alanine, conf. II
477372.2576118.2250 -3.3423 3 823.6811603 89503 303A0 794 99 793 a-Alanine, conf. II
477452.6366 25.4545 -3.3319 3 779.7553543 89503 303902070 892069 a-Alanine, conf. II
477452.6366 25.4545 -4.5945 3 779.7553543 89503 303902070 892169 a-Alanine, conf. II
477452.6366 25.4545 -4.5945 3 779.7553543 89503 303902170 892069 a-Alanine, conf. II
477452.6366 25.4545 -3.3319 3 779.7553543 89503 303902170 892169 a-Alanine, conf. II
477456.4477 40.6719 -3.3479 3 807.0960573 89503 303951382 941381 a-Alanine, conf. II
477456.4477 40.6719 -4.5270 3 807.0960573 89503 303951382 941481 a-Alanine, conf. II
477456.4477 40.6719 -4.5270 3 807.0960573 89503 303951482 941381 a-Alanine, conf. II
477456.4477 40.6719 -3.3479 3 807.0960573 89503 303951482 941481 a-Alanine, conf. II
477457.1745 35.8160 -4.1629 3 991.5220513 89503 303856718 846717 a-Alanine, conf. II
477457.1745 35.8160 -4.1629 3 991.5220513 89503 303856719 846718 a-Alanine, conf. II
477484.9232 1.8519 -4.3117 3 243.1766303 89503 303501436 491237 a-Alanine, conf. II
477485.8074 1.8517 -4.3117 3 243.1766303 89503 303501536 491337 a-Alanine, conf. II
477641.7360 35.7397 -4.1222 3 982.0541513 89503 303856619 846618 a-Alanine, conf. II
477641.7360 35.7397 -4.1222 3 982.0541513 89503 303856620 846619 a-Alanine, conf. II
477690.6088 57.1406 -3.2379 3 700.7123489 89503 303813447 803446 a-Alanine, conf. II
477745.1532 5.8665 -3.9243 3 383.9517327 89503 303544113 534014 a-Alanine, conf. II
477745.1532 5.8665 -3.9243 3 383.9517327 89503 303544114 534013 a-Alanine, conf. II
477756.6266 34.6940 -3.5642 3 821.9949507 89503 303844836 834835 a-Alanine, conf. II
477756.6266 34.6940 -3.5642 3 821.9949507 89503 303844837 834836 a-Alanine, conf. II
477796.3323203.3102 -3.3331 3 830.6607621 89503 303A3 2A1 A2 2A0 a-Alanine, conf. II
477796.3323203.3102 -4.4373 3 830.6607621 89503 303A3 2A1 A2 3A0 a-Alanine, conf. II
477796.3323203.3102 -4.4373 3 830.6607621 89503 303A3 3A1 A2 2A0 a-Alanine, conf. II
477796.3323203.3102 -3.3331 3 830.6607621 89503 303A3 3A1 A2 3A0 a-Alanine, conf. II
477836.0217 35.6734 -4.0831 3 972.7360513 89503 303856520 846519 a-Alanine, conf. II
477836.0217 35.6734 -4.0831 3 972.7360513 89503 303856521 846520 a-Alanine, conf. II
477853.5254 40.9927 -3.2914 3 724.4346495 89503 303823647 813646 a-Alanine, conf. II
477954.6603 4.0903 -4.0431 3 399.5984351 89503 303583622 573523 a-Alanine, conf. II
477954.6603 4.0903 -4.0431 3 399.5984351 89503 303583623 573522 a-Alanine, conf. II
478022.4482 42.7770 -3.2911 3 724.4398495 89503 303823646 813645 a-Alanine, conf. II
478030.3827 18.0581 -3.2037 3 689.6768489 89503 303813051 803050 a-Alanine, conf. II
478040.6919 35.6176 -4.0453 3 963.5684513 89503 303856421 846420 a-Alanine, conf. II
478040.6919 35.6176 -4.0453 3 963.5684513 89503 303856422 846421 a-Alanine, conf. II
478070.8465 29.9882 -3.3468 3 798.9859561 89503 303931677 921676 a-Alanine, conf. II
478070.8465 29.9882 -4.5562 3 798.9859561 89503 303931677 921776 a-Alanine, conf. II
478070.8465 29.9882 -4.5562 3 798.9859561 89503 303931777 921676 a-Alanine, conf. II
478070.8465 29.9882 -3.3468 3 798.9859561 89503 303931777 921776 a-Alanine, conf. II
478086.3199 75.7980 -3.3501 3 820.1388591 89503 30398 989 97 988 a-Alanine, conf. II
478086.3199 75.7980 -4.4965 3 820.1388591 89503 30398 989 971088 a-Alanine, conf. II
478086.3199 75.7980 -4.4965 3 820.1388591 89503 303981089 97 988 a-Alanine, conf. II
478086.3199 75.7980 -3.3501 3 820.1388591 89503 303981089 971088 a-Alanine, conf. II
478091.6591 37.0356 -3.3805 3 759.1111501 89503 303834044 824043 a-Alanine, conf. II
478091.7754 37.0374 -3.3805 3 759.1111501 89503 303834043 824042 a-Alanine, conf. II
478198.5352 15.8788 -3.2331 3 705.8185495 89503 303823152 813151 a-Alanine, conf. II
478216.5302 5.6691 -4.1902 3 271.8047315 89503 303521735 511536 a-Alanine, conf. II
478221.1308 28.9589 -3.9857 3 377.2569363 89503 303602436 592237 a-Alanine, conf. II
478256.4693 35.5728 -4.0089 3 954.5516513 89503 303856322 846321 a-Alanine, conf. II
478256.4693 35.5728 -4.0089 3 954.5516513 89503 303856323 846322 a-Alanine, conf. II
478266.6706 15.7962 -3.2525 3 717.8438501 89503 303833054 823053 a-Alanine, conf. II
478289.2869 8.9609 -3.8550 3 378.5516309 89503 3035145 6 5044 7 a-Alanine, conf. II
478289.2869 8.9609 -3.8550 3 378.5516309 89503 3035145 7 5044 6 a-Alanine, conf. II
478313.9808 23.2148 -3.3199 3 766.8457531 89503 303882365 872364 a-Alanine, conf. II
478313.9808 23.2148 -3.3199 3 766.8457531 89503 303882465 872464 a-Alanine, conf. II
478332.4946 35.0092 -3.5410 3 815.4983507 89503 303844737 834736 a-Alanine, conf. II
478332.4946 35.0092 -3.5410 3 815.4983507 89503 303844738 834737 a-Alanine, conf. II
478351.1271 34.7789 -3.1439 3 660.3225477 89503 303793148 783147 a-Alanine, conf. II
478360.0197 5.5799 -4.1899 3 271.8048315 89503 303521835 511636 a-Alanine, conf. II
478375.8643 4.9905 -4.5232 3 210.7190249 89503 303413011 402812 a-Alanine, conf. II
478375.8643 4.9905 -4.5232 3 210.7190249 89503 303413012 402813 a-Alanine, conf. II
478403.3364 16.9857 -3.2705 3 729.4661507 89503 303842956 832955 a-Alanine, conf. II
478426.4689 17.0116 -3.2704 3 729.4646507 89503 303842856 832855 a-Alanine, conf. II
478484.1472 35.5396 -3.9736 3 945.6863513 89503 303856223 846222 a-Alanine, conf. II
478484.1472 35.5396 -3.9736 3 945.6863513 89503 303856224 846223 a-Alanine, conf. II
478550.9074 9.7331 -4.0404 3 355.6186351 89503 303582533 572334 a-Alanine, conf. II
478561.3351 15.9300 -3.2519 3 717.8240501 89503 303832954 822953 a-Alanine, conf. II
478606.8051138.3579 -3.3458 3 829.7186609 89503 303A1 596 A0 595 a-Alanine, conf. II
478606.8051138.3579 -4.4661 3 829.7186609 89503 303A1 596 A0 695 a-Alanine, conf. II
478606.8051138.3579 -4.4661 3 829.7186609 89503 303A1 696 A0 595 a-Alanine, conf. II
478606.8051138.3579 -3.3458 3 829.7186609 89503 303A1 696 A0 695 a-Alanine, conf. II
478654.0564 5.1609 -4.3988 3 452.8178393 89503 303652937 642836 a-Alanine, conf. II
478703.1644 0.9605 -4.4181 3 227.2087297 89503 303491237 481038 a-Alanine, conf. II
478703.1772 0.9605 -4.4181 3 227.2087297 89503 303491337 481138 a-Alanine, conf. II
478713.6048 26.5533 -3.3413 3 788.8737549 89503 303911972 901971 a-Alanine, conf. II
478713.6048 26.5533 -4.5883 3 788.8737549 89503 303911972 902071 a-Alanine, conf. II
478713.6048 26.5533 -4.5883 3 788.8737549 89503 303912072 901971 a-Alanine, conf. II
478713.6048 26.5533 -3.3413 3 788.8737549 89503 303912072 902071 a-Alanine, conf. II
478724.5984 35.5188 -3.9395 3 936.9730513 89503 303856124 846123 a-Alanine, conf. II
478724.5984 35.5188 -3.9395 3 936.9730513 89503 303856125 846124 a-Alanine, conf. II
478742.2300 47.8621 -3.3542 3 814.6514579 89503 303961284 951283 a-Alanine, conf. II
478742.2300 47.8621 -4.5240 3 814.6514579 89503 303961284 951383 a-Alanine, conf. II
478742.2300 47.8621 -4.5240 3 814.6514579 89503 303961384 951283 a-Alanine, conf. II
478742.2300 47.8621 -3.3542 3 814.6514579 89503 303961384 951383 a-Alanine, conf. II
478851.4922 1.9789 -4.5504 3 211.2360291 89503 303481038 47 839 a-Alanine, conf. II
478851.4923 1.9789 -4.5504 3 211.2360291 89503 303481138 47 939 a-Alanine, conf. II
478907.5070 18.3931 -3.2866 3 740.7213513 89503 303852858 842857 a-Alanine, conf. II
478908.9216 18.3960 -3.2866 3 740.7212513 89503 303852758 842757 a-Alanine, conf. II
478933.8780 4.2253 -4.0760 3 405.8703357 89503 303593524 583425 a-Alanine, conf. II
478933.8780 4.2253 -4.0760 3 405.8703357 89503 303593525 583424 a-Alanine, conf. II
478958.0181 35.3850 -3.5184 3 809.1735507 89503 303844638 834637 a-Alanine, conf. II
478958.0181 35.3850 -3.5184 3 809.1735507 89503 303844639 834638 a-Alanine, conf. II
478960.5221 5.2549 -3.9478 3 388.5426333 89503 303554015 543916 a-Alanine, conf. II
478960.5221 5.2549 -3.9478 3 388.5426333 89503 303554016 543915 a-Alanine, conf. II
478974.8491 10.9793 -4.0736 3 313.9582333 89503 303552234 542035 a-Alanine, conf. II
478978.7862 35.5111 -3.9065 3 928.4124513 89503 303856025 846024 a-Alanine, conf. II
478978.7862 35.5111 -3.9065 3 928.4124513 89503 303856026 846025 a-Alanine, conf. II
478994.1315232.8693 -3.3350 3 835.8344627 89503 303A4 1A3 A3 1A2 a-Alanine, conf. II
478994.1315232.8693 -4.4343 3 835.8344627 89503 303A4 1A3 A3 2A2 a-Alanine, conf. II
478994.1315232.8693 -4.4343 3 835.8344627 89503 303A4 2A3 A3 1A2 a-Alanine, conf. II
478994.1315232.8693 -3.3350 3 835.8344627 89503 303A4 2A3 A3 2A2 a-Alanine, conf. II
479177.3146 2.6125 -4.1234 3 290.6321315 89503 303522527 512328 a-Alanine, conf. II
479247.7764 35.5175 -3.8745 3 920.0051513 89503 303855926 845925 a-Alanine, conf. II
479247.7764 35.5175 -3.8745 3 920.0051513 89503 303855927 845926 a-Alanine, conf. II
479336.9643 38.3764 -3.3612 3 754.0806501 89503 303833945 823944 a-Alanine, conf. II
479337.9831 38.3909 -3.3612 3 754.0806501 89503 303833944 823943 a-Alanine, conf. II
479345.7827 90.0780 -3.3548 3 826.8320597 89503 30399 891 98 890 a-Alanine, conf. II
479345.7827 90.0780 -4.4939 3 826.8320597 89503 30399 891 98 990 a-Alanine, conf. II
479345.7827 90.0780 -4.4939 3 826.8320597 89503 30399 991 98 890 a-Alanine, conf. II
479345.7827 90.0780 -3.3548 3 826.8320597 89503 30399 991 98 990 a-Alanine, conf. II
479362.4544 33.1046 -3.3543 3 807.2060567 89503 303941579 931578 a-Alanine, conf. II
479362.4544 33.1046 -4.5524 3 807.2060567 89503 303941579 931678 a-Alanine, conf. II
479362.4544 33.1046 -4.5524 3 807.2060567 89503 303941679 931578 a-Alanine, conf. II
479362.4544 33.1046 -3.3543 3 807.2060567 89503 303941679 931678 a-Alanine, conf. II
479476.9643 20.8202 -4.0922 3 324.5190339 89503 303562135 551936 a-Alanine, conf. II
479486.4177 24.5444 -3.3311 3 776.6895537 89503 303892267 882266 a-Alanine, conf. II
479486.4177 24.5444 -3.3311 3 776.6895537 89503 303892367 882366 a-Alanine, conf. II
479532.7532 35.5392 -3.8434 3 911.7520513 89503 303855827 845826 a-Alanine, conf. II
479532.7532 35.5392 -3.8434 3 911.7520513 89503 303855828 845827 a-Alanine, conf. II
479563.3326 8.0534 -3.8739 3 381.9180315 89503 3035244 8 5143 9 a-Alanine, conf. II
479563.3326 8.0534 -3.8739 3 381.9180315 89503 3035244 9 5143 8 a-Alanine, conf. II
479582.8140 2.5144 -4.1951 3 264.4515297 89503 303492623 482424 a-Alanine, conf. II
479590.0942 2.5133 -4.1951 3 264.4513297 89503 303492624 482425 a-Alanine, conf. II
479640.2974 35.8340 -3.4964 3 803.0237507 89503 303844539 834538 a-Alanine, conf. II
479640.2974 35.8340 -3.4964 3 803.0237507 89503 303844540 834539 a-Alanine, conf. II
479674.6871 19.9490 -3.3013 3 751.6553519 89503 303862760 852759 a-Alanine, conf. II
479674.7576 19.9492 -3.3013 3 751.6553519 89503 303862660 852659 a-Alanine, conf. II
479764.4788 4.1531 -4.4194 3 222.6011261 89503 303432914 422715 a-Alanine, conf. II
479764.4788 4.1531 -4.4194 3 222.6011261 89503 303432915 422716 a-Alanine, conf. II
479804.4831 4.5308 -4.1121 3 412.5466363 89503 303603427 593326 a-Alanine, conf. II
479804.4833 4.5308 -4.1121 3 412.5466363 89503 303603426 593327 a-Alanine, conf. II
479831.3758160.9277 -3.3489 3 835.5510615 89503 303A2 498 A1 497 a-Alanine, conf. II
479831.3758160.9277 -4.4635 3 835.5510615 89503 303A2 498 A1 597 a-Alanine, conf. II
479831.3758160.9277 -4.4635 3 835.5510615 89503 303A2 598 A1 497 a-Alanine, conf. II
479831.3758160.9277 -3.3489 3 835.5510615 89503 303A2 598 A1 597 a-Alanine, conf. II
479835.0360 35.5774 -3.8133 3 903.6538513 89503 303855728 845727 a-Alanine, conf. II
479835.0360 35.5774 -3.8133 3 903.6538513 89503 303855729 845728 a-Alanine, conf. II
479956.2175 2.5300 -4.1222 3 290.6050315 89503 303522528 512329 a-Alanine, conf. II
479959.2029 42.5344 -3.2731 3 720.3194495 89503 303823548 813547 a-Alanine, conf. II
479988.6566 27.8135 -3.3503 3 797.7739555 89503 303921874 911873 a-Alanine, conf. II
479988.6566 27.8135 -4.5830 3 797.7739555 89503 303921874 911973 a-Alanine, conf. II
479988.6566 27.8135 -4.5830 3 797.7739555 89503 303921974 911873 a-Alanine, conf. II
479988.6566 27.8135 -3.3503 3 797.7739555 89503 303921974 911973 a-Alanine, conf. II
480016.2263 11.8240 -3.8150 3 379.5384297 89503 3034948 1 4847 2 a-Alanine, conf. II
480016.2263 11.8240 -3.8150 3 379.5384297 89503 3034948 2 4847 1 a-Alanine, conf. II
480021.8864 56.8560 -3.3601 3 822.0012585 89503 303971186 961185 a-Alanine, conf. II
480021.8864 56.8560 -4.5213 3 822.0012585 89503 303971186 961285 a-Alanine, conf. II
480021.8864 56.8560 -4.5213 3 822.0012585 89503 303971286 961185 a-Alanine, conf. II
480021.8864 56.8560 -3.3601 3 822.0012585 89503 303971286 961285 a-Alanine, conf. II
480146.3334 4.7666 -3.9728 3 393.4989339 89503 303563917 553818 a-Alanine, conf. II
480146.3334 4.7666 -3.9728 3 393.4989339 89503 303563918 553817 a-Alanine, conf. II
480156.1013 35.6338 -3.7840 3 895.7114513 89503 303855629 845628 a-Alanine, conf. II
480156.1013 35.6338 -3.7840 3 895.7114513 89503 303855630 845629 a-Alanine, conf. II
480160.5004 4.7364 -4.0615 3 319.1547333 89503 303552432 542233 a-Alanine, conf. II
480182.1740265.3951 -3.3366 3 840.8011633 89503 303A5 0A5 A4 0A4 a-Alanine, conf. II
480182.1740265.3951 -4.4312 3 840.8011633 89503 303A5 0A5 A4 1A4 a-Alanine, conf. II
480182.1740265.3951 -4.4312 3 840.8011633 89503 303A5 1A5 A4 0A4 a-Alanine, conf. II
480182.1740265.3951 -3.3366 3 840.8011633 89503 303A5 1A5 A4 1A4 a-Alanine, conf. II
480388.0846 36.3727 -3.4750 3 797.0527507 89503 303844440 834439 a-Alanine, conf. II
480388.0846 36.3727 -3.4750 3 797.0527507 89503 303844441 834440 a-Alanine, conf. II
480471.5690 8.7374 -4.3962 3 452.7725393 89503 303652936 642837 a-Alanine, conf. II
480497.6082 35.7101 -3.7555 3 887.9260513 89503 303855530 845529 a-Alanine, conf. II
480497.6082 35.7101 -3.7555 3 887.9260513 89503 303855531 845530 a-Alanine, conf. II
480524.8896 4.9715 -4.1522 3 419.6425369 89503 303613329 603228 a-Alanine, conf. II
480524.8964 4.9715 -4.1522 3 419.6425369 89503 303613328 603229 a-Alanine, conf. II
480596.0530106.4960 -3.3591 3 833.3207603 89503 303A0 793 99 792 a-Alanine, conf. II
480596.0530106.4960 -4.4915 3 833.3207603 89503 303A0 793 99 892 a-Alanine, conf. II
480596.0530106.4960 -4.4915 3 833.3207603 89503 303A0 893 99 792 a-Alanine, conf. II
480596.0530106.4960 -3.3591 3 833.3207603 89503 303A0 893 99 892 a-Alanine, conf. II
480611.3057 21.5609 -3.3150 3 762.2998525 89503 303872662 862661 a-Alanine, conf. II
480611.3087 21.5609 -3.3150 3 762.2998525 89503 303872562 862561 a-Alanine, conf. II
480638.8724 3.4250 -4.3336 3 235.4890273 89503 303452817 442618 a-Alanine, conf. II
480638.8729 3.4250 -4.3336 3 235.4890273 89503 303452818 442619 a-Alanine, conf. II
480652.9385 37.5028 -3.3615 3 815.2177573 89503 303951481 941480 a-Alanine, conf. II
480652.9385 37.5028 -4.5491 3 815.2177573 89503 303951481 941580 a-Alanine, conf. II
480652.9385 37.5028 -4.5491 3 815.2177573 89503 303951581 941480 a-Alanine, conf. II
480652.9385 37.5028 -3.3615 3 815.2177573 89503 303951581 941580 a-Alanine, conf. II
480699.9853 25.7506 -3.3417 3 786.2990543 89503 303902169 892168 a-Alanine, conf. II
480699.9853 25.7506 -3.3417 3 786.2990543 89503 303902269 892268 a-Alanine, conf. II
480736.6375 2.8554 -4.2600 3 249.4204285 89503 303472720 462521 a-Alanine, conf. II
480736.7176 2.8554 -4.2600 3 249.4204285 89503 303472721 462522 a-Alanine, conf. II
480779.4646 40.1179 -3.3423 3 749.2698501 89503 303833846 823845 a-Alanine, conf. II
480787.4805 40.2225 -3.3422 3 749.2700501 89503 303833845 823844 a-Alanine, conf. II
480807.6071 17.4043 -3.2274 3 705.6221495 89503 303823052 813051 a-Alanine, conf. II
480818.4882 6.4191 -4.3139 3 443.6994387 89503 303643035 632934 a-Alanine, conf. II
480825.8543 7.2101 -3.8940 3 385.6358321 89503 303534310 524211 a-Alanine, conf. II
480825.8543 7.2101 -3.8940 3 385.6358321 89503 303534311 524210 a-Alanine, conf. II
480861.4299 35.8086 -3.7278 3 880.2985513 89503 303855431 845430 a-Alanine, conf. II
480861.4299 35.8086 -3.7278 3 880.2985513 89503 303855432 845431 a-Alanine, conf. II
480880.3741 51.1096 -3.2714 3 720.3511495 89503 303823547 813546 a-Alanine, conf. II
480942.3089 6.7181 -4.3137 3 443.6962387 89503 303643034 632935 a-Alanine, conf. II
481030.8018 5.5035 -4.1976 3 427.1785375 89503 303623231 613130 a-Alanine, conf. II
481031.0342 5.5042 -4.1976 3 427.1785375 89503 303623230 613131 a-Alanine, conf. II
481045.9524186.0767 -3.3517 3 841.1777621 89503 303A3 3A0 A2 399 a-Alanine, conf. II
481045.9524186.0767 -4.4609 3 841.1777621 89503 303A3 3A0 A2 499 a-Alanine, conf. II
481045.9524186.0767 -4.4609 3 841.1777621 89503 303A3 4A0 A2 399 a-Alanine, conf. II
481045.9524186.0767 -3.3517 3 841.1777621 89503 303A3 4A0 A2 499 a-Alanine, conf. II
481087.8936 7.6966 -4.1605 3 284.7050321 89503 303531835 521636 a-Alanine, conf. II
481212.3668 37.0237 -3.4541 3 791.2647507 89503 303844342 834341 a-Alanine, conf. II
481212.3671 37.0237 -3.4541 3 791.2647507 89503 303844341 834340 a-Alanine, conf. II
481212.7967 6.0635 -4.2501 3 435.1830381 89503 303633133 623032 a-Alanine, conf. II
481218.9506 6.0794 -4.2501 3 435.1828381 89503 303633132 623033 a-Alanine, conf. II
481249.6922 35.9318 -3.7009 3 872.8302513 89503 303855332 845331 a-Alanine, conf. II
481249.6922 35.9318 -3.7009 3 872.8302513 89503 303855333 845332 a-Alanine, conf. II
481272.2737 29.4719 -3.3589 3 806.4593561 89503 303931776 921775 a-Alanine, conf. II
481272.2737 29.4719 -4.5785 3 806.4593561 89503 303931776 921875 a-Alanine, conf. II
481272.2737 29.4719 -4.5785 3 806.4593561 89503 303931876 921775 a-Alanine, conf. II
481272.2737 29.4719 -3.3589 3 806.4593561 89503 303931876 921875 a-Alanine, conf. II
481293.6330 4.4318 -3.9996 3 398.8263345 89503 303573819 563720 a-Alanine, conf. II
481293.6330 4.4318 -3.9996 3 398.8263345 89503 303573820 563719 a-Alanine, conf. II
481294.3253 67.7586 -3.3656 3 829.1461591 89503 303981088 971087 a-Alanine, conf. II
481294.3253 67.7586 -4.5188 3 829.1461591 89503 303981088 971187 a-Alanine, conf. II
481294.3253 67.7586 -4.5188 3 829.1461591 89503 303981188 971087 a-Alanine, conf. II
481294.3253 67.7586 -3.3656 3 829.1461591 89503 303981188 971187 a-Alanine, conf. II
481307.8589 10.7567 -3.8314 3 382.0588303 89503 3035047 3 4946 4 a-Alanine, conf. II
481307.8589 10.7567 -3.8314 3 382.0588303 89503 3035047 4 4946 3 a-Alanine, conf. II
481336.2920 14.6357 -3.9594 3 391.3751369 89503 303612536 602337 a-Alanine, conf. II
481364.5212 9.2773 -4.0667 3 344.1143345 89503 303572532 562333 a-Alanine, conf. II
481436.5436 21.4984 -3.2354 3 709.3888495 89503 303823251 813250 a-Alanine, conf. II
481581.1798 7.3474 -4.1598 3 284.7056321 89503 303531935 521736 a-Alanine, conf. II
481660.4725 23.1394 -3.3277 3 772.6764531 89503 303882564 872563 a-Alanine, conf. II
481660.4726 23.1394 -3.3277 3 772.6764531 89503 303882464 872463 a-Alanine, conf. II
481664.8213 36.0829 -3.6748 3 865.5225513 89503 303855233 845232 a-Alanine, conf. II
481664.8213 36.0829 -3.6748 3 865.5225513 89503 303855234 845233 a-Alanine, conf. II
481802.0081 2.9259 -4.1114 3 300.8132321 89503 303532528 522329 a-Alanine, conf. II
481836.7892125.1667 -3.3631 3 839.6045609 89503 303A1 695 A0 694 a-Alanine, conf. II
481836.7892125.1667 -4.4891 3 839.6045609 89503 303A1 695 A0 794 a-Alanine, conf. II
481836.7892125.1667 -4.4891 3 839.6045609 89503 303A1 795 A0 694 a-Alanine, conf. II
481836.7892125.1667 -3.3631 3 839.6045609 89503 303A1 795 A0 794 a-Alanine, conf. II
481883.6198 38.7585 -4.5510 3 1088.5029519 89503 303867511 857510 a-Alanine, conf. II
481883.6198 38.7585 -4.5510 3 1088.5029519 89503 303867512 857511 a-Alanine, conf. II
481913.2611 40.4277 -3.2561 3 716.4814495 89503 303823449 813448 a-Alanine, conf. II
481940.1556 43.4448 -3.3683 3 823.0223579 89503 303961383 951382 a-Alanine, conf. II
481940.1556 43.4448 -4.5462 3 823.0223579 89503 303961383 951482 a-Alanine, conf. II
481940.1556 43.4448 -4.5462 3 823.0223579 89503 303961483 951382 a-Alanine, conf. II
481940.1556 43.4448 -3.3683 3 823.0223579 89503 303961483 951482 a-Alanine, conf. II
481942.2119 26.8784 -3.3518 3 795.6814549 89503 303912071 902070 a-Alanine, conf. II
481942.2119 26.8784 -3.3518 3 795.6814549 89503 303912171 902170 a-Alanine, conf. II
482013.2797 38.6200 -4.4935 3 1077.8533519 89503 303867412 857411 a-Alanine, conf. II
482013.2797 38.6200 -4.4935 3 1077.8533519 89503 303867413 857412 a-Alanine, conf. II
482020.8376 2.8978 -4.2706 3 255.7262309 89503 303511536 501337 a-Alanine, conf. II
482024.8586 2.8959 -4.2706 3 255.7262309 89503 303511636 501437 a-Alanine, conf. II
482073.3723 6.4414 -3.9152 3 389.7081327 89503 303544212 534113 a-Alanine, conf. II
482073.3723 6.4414 -3.9152 3 389.7081327 89503 303544213 534112 a-Alanine, conf. II
482077.8938 5.1948 -4.4391 3 465.5759399 89503 303662938 652837 a-Alanine, conf. II
482109.6044 36.2656 -3.6493 3 858.3769513 89503 303855134 845133 a-Alanine, conf. II
482109.6044 36.2656 -3.6493 3 858.3769513 89503 303855135 845134 a-Alanine, conf. II
482127.2458 37.8183 -3.4337 3 785.6652507 89503 303844243 834242 a-Alanine, conf. II
482127.2488 37.8183 -3.4337 3 785.6652507 89503 303844242 834241 a-Alanine, conf. II
482149.1938 38.4898 -4.4394 3 1067.3509519 89503 303867313 857312 a-Alanine, conf. II
482149.1938 38.4898 -4.4394 3 1067.3509519 89503 303867314 857313 a-Alanine, conf. II
482250.6122213.9557 -3.3541 3 846.5982627 89503 303A4 2A2 A3 2A1 a-Alanine, conf. II
482250.6122213.9557 -4.4582 3 846.5982627 89503 303A4 2A2 A3 3A1 a-Alanine, conf. II
482250.6122213.9557 -4.4582 3 846.5982627 89503 303A4 3A2 A3 2A1 a-Alanine, conf. II
482250.6122213.9557 -3.3541 3 846.5982627 89503 303A4 3A2 A3 3A1 a-Alanine, conf. II
482291.7199 38.3679 -4.3881 3 1056.9962519 89503 303867214 857213 a-Alanine, conf. II
482291.7199 38.3679 -4.3881 3 1056.9962519 89503 303867215 857214 a-Alanine, conf. II
482390.5167 4.2787 -4.0285 3 404.5316351 89503 303583721 573622 a-Alanine, conf. II
482390.5167 4.2787 -4.0285 3 404.5316351 89503 303583722 573621 a-Alanine, conf. II
482441.2441 38.2547 -4.3394 3 1046.7894519 89503 303867115 857114 a-Alanine, conf. II
482441.2441 38.2547 -4.3394 3 1046.7894519 89503 303867116 857115 a-Alanine, conf. II
482469.5153 16.8415 -3.2729 3 733.7971507 89503 303843055 833054 a-Alanine, conf. II
482475.7196 42.3331 -3.3235 3 744.6943501 89503 303833747 823746 a-Alanine, conf. II
482495.2607 16.2041 -3.2533 3 721.7695501 89503 303833153 823152 a-Alanine, conf. II
482531.5960 42.9998 -3.3234 3 744.6959501 89503 303833746 823745 a-Alanine, conf. II
482558.7073 80.6646 -3.3708 3 836.0861597 89503 30399 990 98 989 a-Alanine, conf. II
482558.7073 80.6646 -4.5165 3 836.0861597 89503 30399 990 981089 a-Alanine, conf. II
482558.7073 80.6646 -4.5165 3 836.0861597 89503 303991090 98 989 a-Alanine, conf. II
482558.7073 80.6646 -3.3708 3 836.0861597 89503 303991090 981089 a-Alanine, conf. II
482560.2172 31.8333 -3.3670 3 814.9326567 89503 303941678 931677 a-Alanine, conf. II
482560.2172 31.8333 -4.5746 3 814.9326567 89503 303941678 931777 a-Alanine, conf. II
482560.2172 31.8333 -4.5746 3 814.9326567 89503 303941778 931677 a-Alanine, conf. II
482560.2172 31.8333 -3.3670 3 814.9326567 89503 303941778 931777 a-Alanine, conf. II
482587.2661 36.4845 -3.6245 3 851.3951513 89503 303855035 845034 a-Alanine, conf. II
482587.2661 36.4845 -3.6245 3 851.3951513 89503 303855036 845035 a-Alanine, conf. II
482593.7394 9.7422 -3.8487 3 384.9244309 89503 3035146 5 5045 6 a-Alanine, conf. II
482593.7394 9.7422 -3.8487 3 384.9244309 89503 3035146 6 5045 5 a-Alanine, conf. II
482598.1836 38.1503 -4.2929 3 1036.7308519 89503 303867016 857015 a-Alanine, conf. II
482598.1836 38.1503 -4.2929 3 1036.7308519 89503 303867017 857016 a-Alanine, conf. II
482621.0630 16.9320 -3.2726 3 733.7871507 89503 303842955 832954 a-Alanine, conf. II
482696.6444 14.7655 -4.1128 3 311.0743333 89503 303552035 541836 a-Alanine, conf. II
482698.6310 18.1439 -3.2906 3 745.4239513 89503 303852957 842956 a-Alanine, conf. II
482709.7162 18.1595 -3.2906 3 745.4232513 89503 303852857 842856 a-Alanine, conf. II
482718.4040 61.3358 -3.1732 3 678.6123483 89503 303803248 793247 a-Alanine, conf. II
482727.0318 32.1205 -3.2427 3 712.8812495 89503 303823350 813349 a-Alanine, conf. II
482762.9897 38.0549 -4.2484 3 1026.8209519 89503 303866917 856916 a-Alanine, conf. II
482762.9897 38.0549 -4.2484 3 1026.8209519 89503 303866918 856917 a-Alanine, conf. II
482786.8162 24.6203 -3.3398 3 782.8005537 89503 303892366 882365 a-Alanine, conf. II
482786.8162 24.6203 -3.3398 3 782.8005537 89503 303892466 882465 a-Alanine, conf. II
482853.9483 10.5165 -4.1347 3 297.7981327 89503 303541935 531736 a-Alanine, conf. II
482936.1519 37.9689 -4.2058 3 1017.0599519 89503 303866818 856817 a-Alanine, conf. II
482936.1519 37.9689 -4.2058 3 1017.0599519 89503 303866819 856818 a-Alanine, conf. II
483067.7835146.2161 -3.3667 3 845.6832615 89503 303A2 597 A1 596 a-Alanine, conf. II
483067.7835146.2161 -4.4868 3 845.6832615 89503 303A2 597 A1 696 a-Alanine, conf. II
483067.7835146.2161 -4.4868 3 845.6832615 89503 303A2 697 A1 596 a-Alanine, conf. II
483067.7835146.2161 -3.3667 3 845.6832615 89503 303A2 697 A1 696 a-Alanine, conf. II
483101.5668 36.7454 -3.6004 3 844.5792513 89503 303854936 844935 a-Alanine, conf. II
483101.5668 36.7454 -3.6004 3 844.5792513 89503 303854937 844936 a-Alanine, conf. II
483118.2020 37.8927 -4.1648 3 1007.4483519 89503 303866719 856718 a-Alanine, conf. II
483118.2020 37.8927 -4.1648 3 1007.4483519 89503 303866720 856719 a-Alanine, conf. II
483151.3126 38.8013 -3.4138 3 780.2604507 89503 303844144 834143 a-Alanine, conf. II
483151.3430 38.8018 -3.4138 3 780.2604507 89503 303844143 834142 a-Alanine, conf. II
483203.9953 28.0319 -3.3614 3 804.8419555 89503 303921973 911972 a-Alanine, conf. II
483203.9953 28.0319 -3.3614 3 804.8419555 89503 303922073 912072 a-Alanine, conf. II
483222.4205 51.1216 -3.3747 3 830.6205585 89503 303971285 961284 a-Alanine, conf. II
483222.4205 51.1216 -4.5435 3 830.6205585 89503 303971285 961384 a-Alanine, conf. II
483222.4205 51.1216 -4.5435 3 830.6205585 89503 303971385 961284 a-Alanine, conf. II
483222.4205 51.1216 -3.3747 3 830.6205585 89503 303971385 961384 a-Alanine, conf. II
483276.8881 19.6479 -3.3067 3 756.6959519 89503 303862859 852858 a-Alanine, conf. II
483277.5304 19.6493 -3.3067 3 756.6959519 89503 303862759 852758 a-Alanine, conf. II
483301.4273 5.7631 -3.9378 3 394.1387333 89503 303554114 544015 a-Alanine, conf. II
483301.4273 5.7631 -3.9378 3 394.1387333 89503 303554115 544014 a-Alanine, conf. II
483309.7184 37.8265 -4.1253 3 997.9865519 89503 303866620 856619 a-Alanine, conf. II
483309.7184 37.8265 -4.1253 3 997.9865519 89503 303866621 856620 a-Alanine, conf. II
483371.7287 20.7646 -3.1633 3 676.2786483 89503 303803149 793148 a-Alanine, conf. II
483400.6731 32.7182 -4.0456 3 363.1687357 89503 303592336 582137 a-Alanine, conf. II
483420.8818 4.3215 -4.0596 3 410.6230357 89503 303593623 583524 a-Alanine, conf. II
483420.8818 4.3215 -4.0596 3 410.6230357 89503 303593624 583523 a-Alanine, conf. II
483428.4183 2.6594 -4.1091 3 300.7563321 89503 303532529 522330 a-Alanine, conf. II
483445.5177244.7234 -3.3562 3 851.8119633 89503 303A5 1A4 A4 1A3 a-Alanine, conf. II
483445.5177244.7234 -4.4554 3 851.8119633 89503 303A5 1A4 A4 2A3 a-Alanine, conf. II
483445.5177244.7234 -4.4554 3 851.8119633 89503 303A5 2A4 A4 1A3 a-Alanine, conf. II
483445.5177244.7234 -3.3562 3 851.8119633 89503 303A5 2A4 A4 2A3 a-Alanine, conf. II
483506.7243 7.2149 -4.0821 3 332.8779339 89503 303562531 552332 a-Alanine, conf. II
483511.3323 37.7709 -4.0872 3 988.6749519 89503 303866521 856520 a-Alanine, conf. II
483511.3323 37.7709 -4.0872 3 988.6749519 89503 303866522 856521 a-Alanine, conf. II
483611.2418 3.6404 -4.1011 3 311.2379327 89503 303542529 532330 a-Alanine, conf. II
483648.0688 4.8745 -4.4872 3 218.4861255 89503 303423012 412813 a-Alanine, conf. II
483648.0688 4.8745 -4.4872 3 218.4861255 89503 303423013 412814 a-Alanine, conf. II
483656.9326 37.0553 -3.5769 3 837.9312513 89503 303854837 844836 a-Alanine, conf. II
483656.9326 37.0553 -3.5769 3 837.9312513 89503 303854838 844837 a-Alanine, conf. II
483723.7333 37.7264 -4.0504 3 979.5141519 89503 303866422 856421 a-Alanine, conf. II
483723.7333 37.7264 -4.0504 3 979.5141519 89503 303866423 856422 a-Alanine, conf. II
483814.4023 95.6721 -3.3756 3 842.8213603 89503 303A0 892 99 891 a-Alanine, conf. II
483814.4023 95.6721 -4.5142 3 842.8213603 89503 303A0 892 99 991 a-Alanine, conf. II
483814.4023 95.6721 -4.5142 3 842.8213603 89503 303A0 992 99 891 a-Alanine, conf. II
483814.4023 95.6721 -3.3756 3 842.8213603 89503 303A0 992 99 991 a-Alanine, conf. II
483828.9179 2.5527 -4.1787 3 273.9129303 89503 303502624 492425 a-Alanine, conf. II
483835.7227 1.1183 -4.3666 3 239.5871303 89503 303501337 491138 a-Alanine, conf. II
483835.7932 1.1183 -4.3666 3 239.5871303 89503 303501437 491238 a-Alanine, conf. II
483847.5783 2.5506 -4.1787 3 273.9122303 89503 303502625 492426 a-Alanine, conf. II
483849.1948 35.2360 -3.3747 3 823.1958573 89503 303951580 941579 a-Alanine, conf. II
483849.1948 35.2360 -4.5713 3 823.1958573 89503 303951580 941679 a-Alanine, conf. II
483849.1948 35.2360 -4.5713 3 823.1958573 89503 303951680 941579 a-Alanine, conf. II
483849.1948 35.2360 -3.3747 3 823.1958573 89503 303951680 941679 a-Alanine, conf. II
483872.0212 8.7837 -3.8670 3 388.1374315 89503 3035245 7 5144 8 a-Alanine, conf. II
483872.0212 8.7837 -3.8670 3 388.1374315 89503 3035245 8 5144 7 a-Alanine, conf. II
483947.6770 37.6936 -4.0149 3 970.5045519 89503 303866323 856322 a-Alanine, conf. II
483947.6770 37.6936 -4.0149 3 970.5045519 89503 303866324 856323 a-Alanine, conf. II
483967.0473 25.9716 -3.3511 3 792.6834543 89503 303902268 892267 a-Alanine, conf. II
483967.0473 25.9716 -3.3511 3 792.6834543 89503 303902368 892367 a-Alanine, conf. II
484005.4545 17.0109 -3.2501 3 721.6602501 89503 303833053 823052 a-Alanine, conf. II
484089.7070 21.2842 -3.3214 3 767.6555525 89503 303872761 862760 a-Alanine, conf. II
484089.7376 21.2843 -3.3214 3 767.6555525 89503 303872661 862660 a-Alanine, conf. II
484183.9933 37.6732 -3.9805 3 961.6468519 89503 303866224 856223 a-Alanine, conf. II
484183.9933 37.6732 -3.9805 3 961.6468519 89503 303866225 856224 a-Alanine, conf. II
484258.6271 37.4232 -3.5540 3 831.4538513 89503 303854738 844737 a-Alanine, conf. II
484258.6271 37.4232 -3.5540 3 831.4538513 89503 303854739 844738 a-Alanine, conf. II
484273.6167 5.0748 -4.0920 3 321.9212333 89503 303552530 542331 a-Alanine, conf. II
484288.9448169.7800 -3.3700 3 851.5565621 89503 303A3 499 A2 498 a-Alanine, conf. II
484288.9448169.7800 -4.4844 3 851.5565621 89503 303A3 499 A2 598 a-Alanine, conf. II
484288.9448169.7800 -4.4844 3 851.5565621 89503 303A3 599 A2 498 a-Alanine, conf. II
484288.9448169.7800 -3.3700 3 851.5565621 89503 303A3 599 A2 598 a-Alanine, conf. II
484309.8651 40.0395 -3.3943 3 775.0585507 89503 303844045 834044 a-Alanine, conf. II
484310.1464 40.0439 -3.3943 3 775.0585507 89503 303844044 834043 a-Alanine, conf. II
484314.4055 12.7480 -3.8104 3 386.3608297 89503 3034949 0 4848 1 a-Alanine, conf. II
484314.4055 12.7480 -3.8104 3 386.3608297 89503 3034949 1 4848 0 a-Alanine, conf. II
484362.4461 4.5517 -4.0936 3 417.1108363 89503 303603525 593426 a-Alanine, conf. II
484362.4461 4.5517 -4.0936 3 417.1108363 89503 303603526 593425 a-Alanine, conf. II
484399.8236 9.3161 -4.1325 3 297.8003327 89503 303542035 531836 a-Alanine, conf. II
484411.0274 1.5386 -4.4842 3 223.4289297 89503 303491138 48 939 a-Alanine, conf. II
484411.0282 1.5386 -4.4842 3 223.4289297 89503 303491238 481039 a-Alanine, conf. II
484420.8496 73.9209 -3.2109 3 697.3724489 89503 303813348 803347 a-Alanine, conf. II
484433.5961 37.6661 -3.9471 3 952.9415519 89503 303866125 856124 a-Alanine, conf. II
484433.5961 37.6661 -3.9471 3 952.9415519 89503 303866126 856125 a-Alanine, conf. II
484440.2032 10.6388 -4.0599 3 327.3282339 89503 303562334 552135 a-Alanine, conf. II
484463.2018 44.6708 -3.3050 3 740.3741501 89503 303833648 823647 a-Alanine, conf. II
484468.3600 8.3186 -4.4853 3 478.5887405 89503 303672939 662838 a-Alanine, conf. II
484478.5376 29.3872 -3.3706 3 813.7846561 89503 303931875 921874 a-Alanine, conf. II
484478.5376 29.3872 -3.3706 3 813.7846561 89503 303931975 921974 a-Alanine, conf. II
484498.4128 60.6678 -3.3808 3 838.0130591 89503 303981187 971186 a-Alanine, conf. II
484498.4128 60.6678 -4.5412 3 838.0130591 89503 303981187 971286 a-Alanine, conf. II
484498.4128 60.6678 -4.5412 3 838.0130591 89503 303981287 971186 a-Alanine, conf. II
484498.4128 60.6678 -3.3808 3 838.0130591 89503 303981287 971286 a-Alanine, conf. II
484504.2705 5.1977 -3.9619 3 398.9317339 89503 303564016 553917 a-Alanine, conf. II
484504.2705 5.1977 -3.9619 3 398.9317339 89503 303564017 553916 a-Alanine, conf. II
484630.9093278.5462 -3.3580 3 856.8182639 89503 303A6 0A6 A5 0A5 a-Alanine, conf. II
484630.9093278.5462 -4.4526 3 856.8182639 89503 303A6 0A6 A5 1A5 a-Alanine, conf. II
484630.9093278.5462 -4.4526 3 856.8182639 89503 303A6 1A6 A5 0A5 a-Alanine, conf. II
484630.9093278.5462 -3.3580 3 856.8182639 89503 303A6 1A6 A5 1A5 a-Alanine, conf. II
484697.4952 37.6731 -3.9147 3 944.3894519 89503 303866026 856025 a-Alanine, conf. II
484697.4952 37.6731 -3.9147 3 944.3894519 89503 303866027 856026 a-Alanine, conf. II
484710.5680 24.3400 -4.5233 3 462.4205399 89503 303662838 652739 a-Alanine, conf. II
484800.9036 48.2964 -3.3044 3 740.3849501 89503 303833647 823646 a-Alanine, conf. II
484909.4013 4.0478 -4.3908 3 230.7741267 89503 303442915 432716 a-Alanine, conf. II
484909.4013 4.0478 -4.3908 3 230.7741267 89503 303442916 432717 a-Alanine, conf. II
484912.9860 37.8605 -3.5317 3 825.1499513 89503 303854639 844638 a-Alanine, conf. II
484912.9860 37.8605 -3.5317 3 825.1499513 89503 303854640 844639 a-Alanine, conf. II
484976.8091 37.6954 -3.8833 3 935.9911519 89503 303865927 855926 a-Alanine, conf. II
484976.8091 37.6954 -3.8833 3 935.9911519 89503 303865928 855927 a-Alanine, conf. II
485054.5836 22.9553 -3.3351 3 778.3312531 89503 303882663 872662 a-Alanine, conf. II
485054.5848 22.9553 -3.3351 3 778.3312531 89503 303882563 872562 a-Alanine, conf. II
485060.9561112.8877 -3.3801 3 849.3516609 89503 303A1 794 A0 793 a-Alanine, conf. II
485060.9561112.8877 -4.5121 3 849.3516609 89503 303A1 794 A0 893 a-Alanine, conf. II
485060.9561112.8877 -4.5121 3 849.3516609 89503 303A1 894 A0 793 a-Alanine, conf. II
485060.9561112.8877 -3.3801 3 849.3516609 89503 303A1 894 A0 893 a-Alanine, conf. II
485136.6297 39.9990 -3.3821 3 831.2506579 89503 303961482 951481 a-Alanine, conf. II
485136.6297 39.9990 -4.5684 3 831.2506579 89503 303961482 951581 a-Alanine, conf. II
485136.6297 39.9990 -4.5684 3 831.2506579 89503 303961582 951481 a-Alanine, conf. II
485136.6297 39.9990 -3.3821 3 831.2506579 89503 303961582 951581 a-Alanine, conf. II
485140.3587 7.8869 -3.8864 3 391.7003321 89503 3035344 9 524310 a-Alanine, conf. II
485140.3587 7.8869 -3.8864 3 391.7003321 89503 303534410 5243 9 a-Alanine, conf. II
485183.4393 4.9407 -4.1309 3 424.0079369 89503 303613428 603327 a-Alanine, conf. II
485183.4398 4.9407 -4.1309 3 424.0079369 89503 303613427 603328 a-Alanine, conf. II
485185.0953 27.2006 -3.3619 3 802.3335549 89503 303912170 902169 a-Alanine, conf. II
485185.0953 27.2006 -3.3619 3 802.3335549 89503 303912270 902269 a-Alanine, conf. II
485272.7816 37.7342 -3.8529 3 927.7474519 89503 303865828 855827 a-Alanine, conf. II
485272.7816 37.7342 -3.8529 3 927.7474519 89503 303865829 855828 a-Alanine, conf. II
485312.1045 16.1976 -4.5387 3 491.8727411 89503 303682940 672839 a-Alanine, conf. II
485428.8497 2.8230 -4.2405 3 258.4354291 89503 303482721 472522 a-Alanine, conf. II
485429.0880 2.8229 -4.2405 3 258.4354291 89503 303482722 472523 a-Alanine, conf. II
485500.2852196.0036 -3.3730 3 857.2237627 89503 303A4 3A1 A3 3A0 a-Alanine, conf. II
485500.2852196.0036 -4.4820 3 857.2237627 89503 303A4 3A1 A3 4A0 a-Alanine, conf. II
485500.2852196.0036 -4.4820 3 857.2237627 89503 303A4 4A1 A3 3A0 a-Alanine, conf. II
485500.2852196.0036 -3.3730 3 857.2237627 89503 303A4 4A1 A3 4A0 a-Alanine, conf. II
485579.4529 6.7257 -4.3436 3 456.1381393 89503 303653036 642935 a-Alanine, conf. II
485586.8008 37.7912 -3.8232 3 919.6593519 89503 303865729 855728 a-Alanine, conf. II
485586.8008 37.7912 -3.8232 3 919.6593519 89503 303865730 855729 a-Alanine, conf. II
485602.2787 3.3446 -4.3102 3 244.0768279 89503 303462818 452619 a-Alanine, conf. II
485602.2804 3.3446 -4.3102 3 244.0768279 89503 303462819 452620 a-Alanine, conf. II
485607.8001 11.6308 -3.8263 3 388.7309303 89503 3035048 2 4947 3 a-Alanine, conf. II
485607.8001 11.6308 -3.8263 3 388.7309303 89503 3035048 3 4947 2 a-Alanine, conf. II
485627.7423 38.3823 -3.5100 3 819.0228513 89503 303854540 844539 a-Alanine, conf. II
485627.7423 38.3823 -3.5100 3 819.0228513 89503 303854541 844540 a-Alanine, conf. II
485638.3815 41.6313 -3.3752 3 770.0695507 89503 303843946 833945 a-Alanine, conf. II
485640.7352 41.6656 -3.3752 3 770.0696507 89503 303843945 833944 a-Alanine, conf. II
485674.4282 4.7740 -3.9876 3 404.0922345 89503 303573918 563819 a-Alanine, conf. II
485674.4282 4.7740 -3.9876 3 404.0922345 89503 303573919 563818 a-Alanine, conf. II
485738.9518 11.2600 -4.4340 3 465.4859399 89503 303662937 652838 a-Alanine, conf. II
485760.6697 31.1987 -3.3793 3 822.5128567 89503 303941777 931776 a-Alanine, conf. II
485760.6697 31.1987 -3.3793 3 822.5128567 89503 303941877 931876 a-Alanine, conf. II
485767.1067 72.1882 -3.3865 3 845.2003597 89503 303991089 981088 a-Alanine, conf. II
485767.1067 72.1882 -4.5390 3 845.2003597 89503 303991089 981188 a-Alanine, conf. II
485767.1067 72.1882 -4.5390 3 845.2003597 89503 303991189 981088 a-Alanine, conf. II
485767.1067 72.1882 -3.3865 3 845.2003597 89503 303991189 981188 a-Alanine, conf. II
485768.5133 6.6300 -4.0568 3 329.9350339 89503 303562433 552234 a-Alanine, conf. II
485829.9702 69.5447 -3.2486 3 716.6464495 89503 303823448 813447 a-Alanine, conf. II
485836.6876 5.4494 -4.1725 3 431.3311375 89503 303623330 613229 a-Alanine, conf. II
485836.7074 5.4494 -4.1725 3 431.3311375 89503 303623329 613230 a-Alanine, conf. II
485857.9424 7.4173 -4.3431 3 456.1310393 89503 303653035 642936 a-Alanine, conf. II
485920.4221 37.8680 -3.7945 3 911.7277519 89503 303865630 855629 a-Alanine, conf. II
485920.4221 37.8680 -3.7945 3 911.7277519 89503 303865631 855630 a-Alanine, conf. II
486121.6010 24.5746 -3.3480 3 788.7429537 89503 303892465 882464 a-Alanine, conf. II
486121.6010 24.5746 -3.3480 3 788.7429537 89503 303892565 882564 a-Alanine, conf. II
486219.2916 4.2129 -4.2339 3 268.4865315 89503 303521636 511437 a-Alanine, conf. II
486219.3238 19.7848 -3.2547 3 725.4478501 89503 303833252 823251 a-Alanine, conf. II
486236.2094 4.2031 -4.2339 3 268.4865315 89503 303521736 511537 a-Alanine, conf. II
486247.8322 6.0302 -4.2198 3 439.1027381 89503 303633232 623131 a-Alanine, conf. II
486248.4561 6.0320 -4.2198 3 439.1027381 89503 303633231 623132 a-Alanine, conf. II
486275.3960 37.9668 -3.7665 3 903.9536519 89503 303865531 855530 a-Alanine, conf. II
486275.3960 37.9668 -3.7665 3 903.9536519 89503 303865532 855531 a-Alanine, conf. II
486283.7490 6.5985 -4.2752 3 447.3545387 89503 303643134 633033 a-Alanine, conf. II
486298.0648132.4294 -3.3843 3 855.6768615 89503 303A2 696 A1 695 a-Alanine, conf. II
486298.0648132.4294 -4.5099 3 855.6768615 89503 303A2 696 A1 795 a-Alanine, conf. II
486298.0648132.4294 -4.5099 3 855.6768615 89503 303A2 796 A1 695 a-Alanine, conf. II
486298.0648132.4294 -3.3843 3 855.6768615 89503 303A2 796 A1 795 a-Alanine, conf. II
486298.9187 6.6397 -4.2752 3 447.3541387 89503 303643133 633034 a-Alanine, conf. II
486395.7692 7.0607 -3.9070 3 395.6159327 89503 303544311 534212 a-Alanine, conf. II
486395.7692 7.0607 -3.9070 3 395.6159327 89503 303544312 534211 a-Alanine, conf. II
486412.4914 39.0083 -3.4888 3 813.0767513 89503 303854442 844441 a-Alanine, conf. II
486412.4915 39.0083 -3.4888 3 813.0767513 89503 303854441 844440 a-Alanine, conf. II
486420.4976 46.3801 -3.3891 3 839.0981585 89503 303971384 961383 a-Alanine, conf. II
486420.4976 46.3801 -4.5658 3 839.0981585 89503 303971384 961483 a-Alanine, conf. II
486420.4976 46.3801 -4.5658 3 839.0981585 89503 303971484 961383 a-Alanine, conf. II
486420.4976 46.3801 -3.3891 3 839.0981585 89503 303971484 961483 a-Alanine, conf. II
486429.4675 28.3635 -3.3722 3 811.7573555 89503 303922072 912071 a-Alanine, conf. II
486429.4675 28.3635 -3.3722 3 811.7573555 89503 303922172 912171 a-Alanine, conf. II
486606.6888 45.2859 -3.2870 3 736.3291501 89503 303833549 823548 a-Alanine, conf. II
486653.7027 38.0901 -3.7392 3 896.3383519 89503 303865432 855431 a-Alanine, conf. II
486653.7027 38.0901 -3.7392 3 896.3383519 89503 303865433 855432 a-Alanine, conf. II
486689.9154 17.9633 -3.2936 3 749.8905513 89503 303853056 843055 a-Alanine, conf. II
486701.9098225.0409 -3.3756 3 862.6844633 89503 303A5 2A3 A4 2A2 a-Alanine, conf. II
486701.9098225.0409 -4.4796 3 862.6844633 89503 303A5 2A3 A4 3A2 a-Alanine, conf. II
486701.9098225.0409 -4.4796 3 862.6844633 89503 303A5 3A3 A4 2A2 a-Alanine, conf. II
486701.9098225.0409 -3.3756 3 862.6844633 89503 303A5 3A3 A4 3A2 a-Alanine, conf. II
486712.8005 16.9396 -3.2741 3 737.8638507 89503 303843154 833153 a-Alanine, conf. II
486766.2609 18.0245 -3.2935 3 749.8856513 89503 303852956 842955 a-Alanine, conf. II
486802.0764 4.5229 -4.0151 3 409.6263351 89503 303583820 573721 a-Alanine, conf. II
486802.0764 4.5229 -4.0151 3 409.6263351 89503 303583821 573720 a-Alanine, conf. II
486842.6096 2.8400 -4.0970 3 311.1240327 89503 303542530 532331 a-Alanine, conf. II
486896.2091 10.5660 -3.8431 3 391.4452309 89503 3035147 4 5046 5 a-Alanine, conf. II
486896.2091 10.5660 -3.8431 3 391.4452309 89503 3035147 5 5046 4 a-Alanine, conf. II
486964.8527 13.8360 -3.1877 3 692.4021489 89503 303813150 803149 a-Alanine, conf. II
487013.3430 19.3704 -3.3112 3 761.5250519 89503 303862958 852957 a-Alanine, conf. II
487018.5787 19.3794 -3.3112 3 761.5247519 89503 303862858 852857 a-Alanine, conf. II
487027.7180 85.7790 -3.3919 3 852.1825603 89503 303A0 991 99 990 a-Alanine, conf. II
487027.7180 85.7790 -4.5369 3 852.1825603 89503 303A0 991 991090 a-Alanine, conf. II
487027.7180 85.7790 -4.5369 3 852.1825603 89503 303A01091 99 990 a-Alanine, conf. II
487027.7180 85.7790 -3.3919 3 852.1825603 89503 303A01091 991090 a-Alanine, conf. II
487034.9812 11.2593 -4.1079 3 311.0825333 89503 303552135 541936 a-Alanine, conf. II
487046.4065 33.7860 -3.3876 3 831.0291573 89503 303951679 941678 a-Alanine, conf. II
487046.4065 33.7860 -3.3876 3 831.0291573 89503 303951779 941778 a-Alanine, conf. II
487057.5935 38.2408 -3.7127 3 888.8829519 89503 303865333 855332 a-Alanine, conf. II
487057.5935 38.2408 -3.7127 3 888.8829519 89503 303865334 855333 a-Alanine, conf. II
487186.3271 43.6961 -3.3564 3 765.3069507 89503 303843847 833846 a-Alanine, conf. II
487203.9370 43.9318 -3.3563 3 765.3073507 89503 303843846 833845 a-Alanine, conf. II
487259.2037 26.0831 -3.3601 3 798.9046543 89503 303902367 892366 a-Alanine, conf. II
487259.2037 26.0831 -3.3601 3 798.9046543 89503 303902467 892466 a-Alanine, conf. II
487279.3766 39.7659 -3.4681 3 807.3162513 89503 303854343 844342 a-Alanine, conf. II
487279.3773 39.7659 -3.4681 3 807.3162513 89503 303854342 844341 a-Alanine, conf. II
487337.3071 5.6701 -4.5648 3 214.7462249 89503 303413110 402911 a-Alanine, conf. II
487337.3071 5.6701 -4.5648 3 214.7462249 89503 303413111 402912 a-Alanine, conf. II
487489.6443 38.4226 -3.6869 3 881.5891519 89503 303865234 855233 a-Alanine, conf. II
487489.6443 38.4226 -3.6869 3 881.5891519 89503 303865235 855234 a-Alanine, conf. II
487499.6839 40.8756 -4.5392 3 1104.5768525 89503 303877512 867511 a-Alanine, conf. II
487499.6839 40.8756 -4.5392 3 1104.5768525 89503 303877513 867512 a-Alanine, conf. II
487525.5545154.4259 -3.3881 3 861.7966621 89503 303A3 598 A2 597 a-Alanine, conf. II
487525.5545154.4259 -4.5078 3 861.7966621 89503 303A3 598 A2 697 a-Alanine, conf. II
487525.5545154.4259 -4.5078 3 861.7966621 89503 303A3 698 A2 597 a-Alanine, conf. II
487525.5545154.4259 -3.3881 3 861.7966621 89503 303A3 698 A2 697 a-Alanine, conf. II
487551.7099 17.3282 -3.2724 3 737.8048507 89503 303843054 833053 a-Alanine, conf. II
487634.2058 40.7449 -4.4847 3 1093.9315525 89503 303877413 867412 a-Alanine, conf. II
487634.2058 40.7449 -4.4847 3 1093.9315525 89503 303877414 867413 a-Alanine, conf. II
487634.4495 6.3185 -3.9288 3 399.8875333 89503 303554213 544114 a-Alanine, conf. II
487634.4495 6.3185 -3.9288 3 399.8875333 89503 303554214 544113 a-Alanine, conf. II
487657.2347 20.9710 -3.3272 3 772.8163525 89503 303872860 862859 a-Alanine, conf. II
487657.5230 20.9717 -3.3272 3 772.8163525 89503 303872760 862759 a-Alanine, conf. II
487691.7149 29.5791 -3.3820 3 820.9598561 89503 303931974 921973 a-Alanine, conf. II
487691.7149 29.5791 -3.3820 3 820.9598561 89503 303932074 922073 a-Alanine, conf. II
487699.2080 54.5653 -3.3957 3 846.7390591 89503 303981286 971285 a-Alanine, conf. II
487699.2080 54.5653 -4.5635 3 846.7390591 89503 303981286 971385 a-Alanine, conf. II
487699.2080 54.5653 -4.5635 3 846.7390591 89503 303981386 971285 a-Alanine, conf. II
487699.2080 54.5653 -3.3957 3 846.7390591 89503 303981386 971385 a-Alanine, conf. II
487775.2057 40.6227 -4.4331 3 1083.4337525 89503 303877314 867313 a-Alanine, conf. II
487775.2057 40.6227 -4.4331 3 1083.4337525 89503 303877315 867314 a-Alanine, conf. II
487874.1129 4.4672 -4.0447 3 415.5412357 89503 303593722 583623 a-Alanine, conf. II
487874.1129 4.4672 -4.0447 3 415.5412357 89503 303593723 583622 a-Alanine, conf. II
487894.0072257.0538 -3.3779 3 867.9379639 89503 303A6 1A5 A5 1A4 a-Alanine, conf. II
487894.0072257.0538 -4.4770 3 867.9379639 89503 303A6 1A5 A5 2A4 a-Alanine, conf. II
487894.0072257.0538 -4.4770 3 867.9379639 89503 303A6 2A5 A5 1A4 a-Alanine, conf. II
487894.0072257.0538 -3.3779 3 867.9379639 89503 303A6 2A5 A5 2A4 a-Alanine, conf. II
487911.5633 2.6139 -4.1636 3 283.5860309 89503 303512625 502426 a-Alanine, conf. II
487923.0557 40.5092 -4.3840 3 1073.0837525 89503 303877215 867214 a-Alanine, conf. II
487923.0557 40.5092 -4.3840 3 1073.0837525 89503 303877216 867215 a-Alanine, conf. II
487952.8212 38.6398 -3.6618 3 874.4583519 89503 303865135 855134 a-Alanine, conf. II
487952.8212 38.6398 -3.6618 3 874.4583519 89503 303865136 855135 a-Alanine, conf. II
487957.6617 2.6102 -4.1635 3 283.5844309 89503 303512626 502427 a-Alanine, conf. II
488078.1575 40.4045 -4.3372 3 1062.8819525 89503 303877116 867115 a-Alanine, conf. II
488078.1575 40.4045 -4.3372 3 1062.8819525 89503 303877117 867116 a-Alanine, conf. II
488178.0342 9.5564 -3.8608 3 394.5056315 89503 3035246 6 5145 7 a-Alanine, conf. II
488178.0342 9.5564 -3.8608 3 394.5056315 89503 3035246 7 5145 6 a-Alanine, conf. II
488240.9454 40.3091 -4.2924 3 1052.8286525 89503 303877017 867016 a-Alanine, conf. II
488240.9454 40.3091 -4.2924 3 1052.8286525 89503 303877018 867017 a-Alanine, conf. II
488244.1355 40.6933 -3.4479 3 801.7472513 89503 303854244 844243 a-Alanine, conf. II
488244.1432 40.6934 -3.4479 3 801.7472513 89503 303854243 844242 a-Alanine, conf. II
488276.3583 40.5347 -3.2710 3 732.5563501 89503 303833450 823449 a-Alanine, conf. II
488279.6637101.5403 -3.3969 3 858.9596609 89503 303A1 893 A0 892 a-Alanine, conf. II
488279.6637101.5403 -4.5350 3 858.9596609 89503 303A1 893 A0 992 a-Alanine, conf. II
488279.6637101.5403 -4.5350 3 858.9596609 89503 303A1 993 A0 892 a-Alanine, conf. II
488279.6637101.5403 -3.3969 3 858.9596609 89503 303A1 993 A0 992 a-Alanine, conf. II
488298.5072 60.9343 -3.2840 3 736.3916501 89503 303833548 823547 a-Alanine, conf. II
488332.6449 37.4946 -3.3956 3 839.3353579 89503 303961581 951580 a-Alanine, conf. II
488332.6449 37.4946 -3.3956 3 839.3353579 89503 303961681 951680 a-Alanine, conf. II
488354.9039 29.7415 -3.2598 3 728.9832501 89503 303833351 823350 a-Alanine, conf. II
488411.8894 40.2231 -4.2494 3 1042.9241525 89503 303876918 866917 a-Alanine, conf. II
488411.8894 40.2231 -4.2494 3 1042.9241525 89503 303876919 866918 a-Alanine, conf. II
488446.3079 27.4561 -3.3716 3 808.8268549 89503 303912269 902268 a-Alanine, conf. II
488446.3079 27.4561 -3.3716 3 808.8268549 89503 303912369 902368 a-Alanine, conf. II
488450.5658 38.8978 -3.6374 3 867.4925519 89503 303865036 855035 a-Alanine, conf. II
488450.5658 38.8978 -3.6374 3 867.4925519 89503 303865037 855036 a-Alanine, conf. II
488510.2858 22.6849 -3.3419 3 783.8030531 89503 303882762 872761 a-Alanine, conf. II
488510.2989 22.6850 -3.3419 3 783.8030531 89503 303882662 872661 a-Alanine, conf. II
488591.4997 40.1470 -4.2081 3 1033.1689525 89503 303876819 866818 a-Alanine, conf. II
488591.4997 40.1470 -4.2081 3 1033.1689525 89503 303876820 866819 a-Alanine, conf. II
488736.5437 1.8501 -4.3210 3 252.1840309 89503 303511437 501238 a-Alanine, conf. II
488736.9018 1.8500 -4.3210 3 252.1840309 89503 303511537 501338 a-Alanine, conf. II
488743.3653179.0160 -3.3916 3 867.7106627 89503 303A4 4A0 A3 499 a-Alanine, conf. II
488743.3653179.0160 -4.5057 3 867.7106627 89503 303A4 4A0 A3 599 a-Alanine, conf. II
488743.3653179.0160 -4.5057 3 867.7106627 89503 303A4 5A0 A3 499 a-Alanine, conf. II
488743.3653179.0160 -3.3916 3 867.7106627 89503 303A4 5A0 A3 599 a-Alanine, conf. II
488780.3305 40.0810 -4.1683 3 1023.5634525 89503 303876720 866719 a-Alanine, conf. II
488780.3305 40.0810 -4.1683 3 1023.5634525 89503 303876721 866720 a-Alanine, conf. II
488851.5273 5.6801 -3.9519 3 404.5190339 89503 303564115 554016 a-Alanine, conf. II
488851.5273 5.6801 -3.9519 3 404.5190339 89503 303564116 554015 a-Alanine, conf. II
488872.7307 4.6104 -4.0768 3 421.8458363 89503 303603625 593524 a-Alanine, conf. II
488872.7308 4.6104 -4.0768 3 421.8458363 89503 303603624 593525 a-Alanine, conf. II
488887.3547 4.7578 -4.4543 3 226.4494261 89503 303433013 422814 a-Alanine, conf. II
488887.3547 4.7578 -4.4543 3 226.4494261 89503 303433014 422815 a-Alanine, conf. II
488965.4913 31.0408 -3.3913 3 829.9451567 89503 303941876 931875 a-Alanine, conf. II
488965.4913 31.0408 -3.3913 3 829.9451567 89503 303941976 931975 a-Alanine, conf. II
488971.5169 64.6868 -3.4019 3 854.1742597 89503 303991188 981187 a-Alanine, conf. II
488971.5169 64.6868 -4.5615 3 854.1742597 89503 303991188 981287 a-Alanine, conf. II
488971.5169 64.6868 -4.5615 3 854.1742597 89503 303991288 981187 a-Alanine, conf. II
488971.5169 64.6868 -3.4019 3 854.1742597 89503 303991288 981287 a-Alanine, conf. II
488978.9854 40.0257 -4.1299 3 1014.1079525 89503 303876621 866620 a-Alanine, conf. II
488978.9854 40.0257 -4.1299 3 1014.1079525 89503 303876622 866621 a-Alanine, conf. II
488986.9051 39.2032 -3.6136 3 860.6937519 89503 303864937 854936 a-Alanine, conf. II
488986.9051 39.2032 -3.6136 3 860.6937519 89503 303864938 854937 a-Alanine, conf. II
489010.7436 46.2188 -3.3377 3 760.7880507 89503 303843748 833747 a-Alanine, conf. II
489076.8433292.2120 -3.3798 3 872.9838645 89503 303A7 0A7 A6 0A6 a-Alanine, conf. II
489076.8433292.2120 -4.4744 3 872.9838645 89503 303A7 0A7 A6 1A6 a-Alanine, conf. II
489076.8433292.2120 -4.4744 3 872.9838645 89503 303A7 1A7 A6 0A6 a-Alanine, conf. II
489076.8433292.2120 -3.3798 3 872.9838645 89503 303A7 1A7 A6 1A6 a-Alanine, conf. II
489126.7400 47.6320 -3.3375 3 760.7914507 89503 303843747 833746 a-Alanine, conf. II
489188.1232 39.9816 -4.0928 3 1004.8031525 89503 303876522 866521 a-Alanine, conf. II
489188.1232 39.9816 -4.0928 3 1004.8031525 89503 303876523 866522 a-Alanine, conf. II
489327.7606 41.8463 -3.4282 3 796.3766513 89503 303854145 844144 a-Alanine, conf. II
489327.8359 41.8476 -3.4282 3 796.3766513 89503 303854144 844143 a-Alanine, conf. II
489408.4642 39.9493 -4.0569 3 995.6494525 89503 303876423 866422 a-Alanine, conf. II
489408.4642 39.9493 -4.0569 3 995.6494525 89503 303876424 866423 a-Alanine, conf. II
489451.2500 8.6066 -3.8796 3 397.9145321 89503 3035345 8 5244 9 a-Alanine, conf. II
489451.2500 8.6066 -3.8796 3 397.9145321 89503 3035345 9 5244 8 a-Alanine, conf. II
489500.2802 24.4121 -3.3557 3 794.5109537 89503 303892664 882663 a-Alanine, conf. II
489500.2807 24.4121 -3.3557 3 794.5109537 89503 303892564 882563 a-Alanine, conf. II
489522.5313119.5817 -3.4016 3 865.5315615 89503 303A2 795 A1 794 a-Alanine, conf. II
489522.5313119.5817 -4.5331 3 865.5315615 89503 303A2 795 A1 894 a-Alanine, conf. II
489522.5313119.5817 -4.5331 3 865.5315615 89503 303A2 895 A1 794 a-Alanine, conf. II
489522.5313119.5817 -3.4016 3 865.5315615 89503 303A2 895 A1 894 a-Alanine, conf. II
489566.5964 39.5642 -3.5904 3 854.0643519 89503 303864838 854837 a-Alanine, conf. II
489566.5964 39.5642 -3.5904 3 854.0643519 89503 303864839 854838 a-Alanine, conf. II
489589.4150 18.3114 -3.2145 3 708.6455495 89503 303823151 813150 a-Alanine, conf. II
489616.9529 42.6433 -3.4031 3 847.4330585 89503 303971483 961482 a-Alanine, conf. II
489616.9529 42.6433 -3.4031 3 847.4330585 89503 303971583 961582 a-Alanine, conf. II
489640.7983 39.9295 -4.0222 3 986.6473525 89503 303876324 866323 a-Alanine, conf. II
489640.7983 39.9295 -4.0222 3 986.6473525 89503 303876325 866324 a-Alanine, conf. II
489668.2003 28.7098 -3.3826 3 818.5175555 89503 303922171 912170 a-Alanine, conf. II
489668.2003 28.7098 -3.3826 3 818.5175555 89503 303922271 912270 a-Alanine, conf. II
489773.1254 4.9333 -4.1118 3 428.5511369 89503 303613526 603427 a-Alanine, conf. II
489773.1254 4.9333 -4.1118 3 428.5511369 89503 303613527 603426 a-Alanine, conf. II
489794.5773 1.1375 -4.4264 3 235.8462303 89503 303501238 491039 a-Alanine, conf. II
489794.5821 1.1375 -4.4264 3 235.8462303 89503 303501338 491139 a-Alanine, conf. II
489853.7180 2.3459 -4.5579 3 219.5065297 89503 303491039 48 840 a-Alanine, conf. II
489853.7180 2.3459 -4.5579 3 219.5065297 89503 303491139 48 940 a-Alanine, conf. II
489885.9940 39.9230 -3.9885 3 977.7974525 89503 303876225 866224 a-Alanine, conf. II
489885.9940 39.9230 -3.9885 3 977.7974525 89503 303876226 866225 a-Alanine, conf. II
489906.4652 12.5486 -3.8219 3 395.5500303 89503 3035049 1 4948 2 a-Alanine, conf. II
489906.4652 12.5486 -3.8219 3 395.5500303 89503 3035049 2 4948 1 a-Alanine, conf. II
489951.5387206.3481 -3.3947 3 873.4182633 89503 303A5 3A2 A4 3A1 a-Alanine, conf. II
489951.5387206.3481 -4.5036 3 873.4182633 89503 303A5 3A2 A4 4A1 a-Alanine, conf. II
489951.5387206.3481 -4.5036 3 873.4182633 89503 303A5 4A2 A4 3A1 a-Alanine, conf. II
489951.5387206.3481 -3.3947 3 873.4182633 89503 303A5 4A2 A4 4A1 a-Alanine, conf. II
490002.0779 5.8333 -4.2013 3 281.4534321 89503 303531736 521537 a-Alanine, conf. II
490003.8490 12.7223 -4.0863 3 324.5461339 89503 303562235 552036 a-Alanine, conf. II
490009.8218 3.9455 -4.3644 3 239.1454273 89503 303452916 442717 a-Alanine, conf. II
490009.8218 3.9455 -4.3644 3 239.1454273 89503 303452917 442718 a-Alanine, conf. II
490028.1966 2.8094 -4.2225 3 267.6556297 89503 303492722 482523 a-Alanine, conf. II
490028.8789 2.8092 -4.2225 3 267.6556297 89503 303492723 482524 a-Alanine, conf. II
490040.7186 5.1716 -3.9766 3 409.5149345 89503 303574017 563918 a-Alanine, conf. II
490040.7186 5.1716 -3.9766 3 409.5149345 89503 303574018 563917 a-Alanine, conf. II
490067.9273 5.7879 -4.2012 3 281.4534321 89503 303531836 521637 a-Alanine, conf. II
490124.1605 50.5444 -3.1848 3 694.7140489 89503 303813249 803248 a-Alanine, conf. II
490141.8939 6.8012 -4.3757 3 468.7993399 89503 303663037 652936 a-Alanine, conf. II
490145.0084 39.9307 -3.9558 3 969.1005525 89503 303876126 866125 a-Alanine, conf. II
490145.0084 39.9307 -3.9558 3 969.1005525 89503 303876127 866126 a-Alanine, conf. II
490195.3223 39.9915 -3.5677 3 847.6069519 89503 303864739 854738 a-Alanine, conf. II
490195.3223 39.9915 -3.5677 3 847.6069519 89503 303864740 854739 a-Alanine, conf. II
490236.4617 76.8491 -3.4078 3 861.4038603 89503 303A01090 991089 a-Alanine, conf. II
490236.4617 76.8491 -4.5596 3 861.4038603 89503 303A01090 991189 a-Alanine, conf. II
490236.4617 76.8491 -4.5596 3 861.4038603 89503 303A01190 991089 a-Alanine, conf. II
490236.4617 76.8491 -3.4078 3 861.4038603 89503 303A01190 991189 a-Alanine, conf. II
490245.9497 33.0206 -3.4002 3 838.7160573 89503 303951778 941777 a-Alanine, conf. II
490245.9497 33.0206 -3.4002 3 838.7160573 89503 303951878 941877 a-Alanine, conf. II
490329.4963 3.1539 -4.0860 3 321.7056333 89503 303552531 542332 a-Alanine, conf. II
490418.8998 39.9537 -3.9241 3 960.5571525 89503 303876027 866026 a-Alanine, conf. II
490418.8998 39.9537 -3.9241 3 960.5571525 89503 303876028 866027 a-Alanine, conf. II
490503.3951 3.2738 -4.2885 3 252.8658285 89503 303472819 462620 a-Alanine, conf. II
490503.4007 3.2738 -4.2885 3 252.8658285 89503 303472820 462621 a-Alanine, conf. II
490539.5980 5.4012 -4.1505 3 435.6711375 89503 303623429 613328 a-Alanine, conf. II
490539.5995 5.4012 -4.1505 3 435.6711375 89503 303623428 613329 a-Alanine, conf. II
490559.1799 43.3082 -3.4089 3 791.2133513 89503 303854046 844045 a-Alanine, conf. II
490559.8466 43.3189 -3.4089 3 791.2133513 89503 303854045 844044 a-Alanine, conf. II
490583.2258 26.0698 -3.3686 3 804.9581543 89503 303902466 892465 a-Alanine, conf. II
490583.2258 26.0698 -3.3686 3 804.9581543 89503 303902566 892565 a-Alanine, conf. II
490634.9586 29.0878 -3.9798 3 403.5689375 89503 303622537 612338 a-Alanine, conf. II
490636.6665 27.6709 -4.0860 3 349.1551351 89503 303582236 572037 a-Alanine, conf. II
490708.8424 39.9933 -3.8933 3 952.1682525 89503 303875928 865927 a-Alanine, conf. II
490708.8424 39.9933 -3.8933 3 952.1682525 89503 303875929 865928 a-Alanine, conf. II
490713.2894 7.7242 -3.8994 3 401.6744327 89503 303544410 534311 a-Alanine, conf. II
490713.2894 7.7242 -3.8994 3 401.6744327 89503 303544411 534310 a-Alanine, conf. II
490749.3078 8.3310 -4.3747 3 468.7839399 89503 303663036 652937 a-Alanine, conf. II
490753.7719 18.8777 -3.2752 3 741.6663507 89503 303843253 833252 a-Alanine, conf. II
490756.0538140.0240 -3.4059 3 871.8980621 89503 303A3 697 A2 696 a-Alanine, conf. II
490756.0538140.0240 -4.5312 3 871.8980621 89503 303A3 697 A2 796 a-Alanine, conf. II
490756.0538140.0240 -4.5312 3 871.8980621 89503 303A3 797 A2 696 a-Alanine, conf. II
490756.0538140.0240 -3.4059 3 871.8980621 89503 303A3 797 A2 796 a-Alanine, conf. II
490879.9572 40.4985 -3.5457 3 841.3248519 89503 303864640 854639 a-Alanine, conf. II
490879.9572 40.4985 -3.5457 3 841.3248519 89503 303864641 854640 a-Alanine, conf. II
490895.7204 17.9165 -3.2954 3 754.0988513 89503 303853155 843154 a-Alanine, conf. II
490897.4188 49.4849 -3.4103 3 855.3233591 89503 303981385 971384 a-Alanine, conf. II
490897.4188 49.4849 -3.4103 3 855.3233591 89503 303981485 971484 a-Alanine, conf. II
490914.2671 29.9126 -3.3930 3 827.9828561 89503 303932073 922072 a-Alanine, conf. II
490914.2671 29.9126 -3.3930 3 827.9828561 89503 303932173 922172 a-Alanine, conf. II
490932.3349 19.1556 -3.3147 3 766.1248519 89503 303863057 853056 a-Alanine, conf. II
490970.0967 19.1954 -3.3146 3 766.1224519 89503 303862957 852956 a-Alanine, conf. II
491016.1430 40.0510 -3.8633 3 943.9344525 89503 303875829 865828 a-Alanine, conf. II
491016.1430 40.0510 -3.8633 3 943.9344525 89503 303875830 865829 a-Alanine, conf. II
491110.8774 48.3739 -3.3193 3 756.5341507 89503 303843649 833648 a-Alanine, conf. II
491118.4215 5.9721 -4.1937 3 443.2240381 89503 303633331 623230 a-Alanine, conf. II
491118.4778 5.9722 -4.1937 3 443.2240381 89503 303633330 623231 a-Alanine, conf. II
491150.2069236.5792 -3.3975 3 878.9190639 89503 303A6 2A4 A5 2A3 a-Alanine, conf. II
491150.2069236.5792 -4.5013 3 878.9190639 89503 303A6 2A4 A5 3A3 a-Alanine, conf. II
491150.2069236.5792 -4.5013 3 878.9190639 89503 303A6 3A4 A5 2A3 a-Alanine, conf. II
491150.2069236.5792 -3.3975 3 878.9190639 89503 303A6 3A4 A5 3A3 a-Alanine, conf. II
491193.8427 4.8245 -4.0029 3 414.8806351 89503 303583919 573820 a-Alanine, conf. II
491193.8427 4.8245 -4.0029 3 414.8806351 89503 303583920 573819 a-Alanine, conf. II
491196.9820 11.4331 -3.8381 3 398.1135309 89503 3035148 3 5047 4 a-Alanine, conf. II
491196.9820 11.4331 -3.8381 3 398.1135309 89503 3035148 4 5047 3 a-Alanine, conf. II
491285.7389 7.1365 -4.3017 3 459.7387393 89503 303653135 643034 a-Alanine, conf. II
491322.0929 7.2394 -4.3017 3 459.7377393 89503 303653134 643035 a-Alanine, conf. II
491342.2624 40.1284 -3.8342 3 935.8568525 89503 303875730 865729 a-Alanine, conf. II
491342.2624 40.1284 -3.8342 3 935.8568525 89503 303875731 865730 a-Alanine, conf. II
491345.0892 20.6677 -3.3321 3 777.7700525 89503 303872959 862958 a-Alanine, conf. II
491347.0378 18.1265 -3.2945 3 754.0678513 89503 303853055 843054 a-Alanine, conf. II
491347.5293 20.6726 -3.3321 3 777.7699525 89503 303872859 862858 a-Alanine, conf. II
491422.8664 6.5931 -4.2432 3 451.2345387 89503 303643233 633132 a-Alanine, conf. II
491424.4959 6.5979 -4.2432 3 451.2345387 89503 303643232 633133 a-Alanine, conf. II
491493.3117 91.1502 -3.4134 3 868.4280609 89503 303A1 992 A0 991 a-Alanine, conf. II
491493.3117 91.1502 -4.5578 3 868.4280609 89503 303A1 992 A01091 a-Alanine, conf. II
491493.3117 91.1502 -4.5578 3 868.4280609 89503 303A11092 A0 991 a-Alanine, conf. II
491493.3117 91.1502 -3.4134 3 868.4280609 89503 303A11092 A01091 a-Alanine, conf. II
491529.3409 35.8520 -3.4087 3 847.2752579 89503 303961680 951679 a-Alanine, conf. II
491529.3409 35.8520 -3.4087 3 847.2752579 89503 303961780 951779 a-Alanine, conf. II
491543.8598 15.8129 -4.4766 3 478.4175405 89503 303672938 662839 a-Alanine, conf. II
491628.9422 41.1030 -3.5242 3 835.2216519 89503 303864541 854540 a-Alanine, conf. II
491628.9422 41.1030 -3.5242 3 835.2216519 89503 303864542 854541 a-Alanine, conf. II
491688.8395 40.2277 -3.8059 3 927.9363525 89503 303875631 865630 a-Alanine, conf. II
491688.8395 40.2277 -3.8059 3 927.9363525 89503 303875632 865631 a-Alanine, conf. II
491730.8447 27.6048 -3.3809 3 815.1578549 89503 303912368 902367 a-Alanine, conf. II
491730.8447 27.6048 -3.3809 3 815.1578549 89503 303912468 902467 a-Alanine, conf. II
491765.2732 55.4725 -3.3182 3 756.5561507 89503 303843648 833647 a-Alanine, conf. II
491795.8677 2.6985 -4.1497 3 293.4734315 89503 303522626 512427 a-Alanine, conf. II
491887.1736 21.5435 -3.2414 3 724.9765501 89503 303833152 823151 a-Alanine, conf. II
491905.6157 2.6920 -4.1495 3 293.4696315 89503 303522627 512428 a-Alanine, conf. II
491960.8939 6.9204 -3.9205 3 405.7884333 89503 303554312 544213 a-Alanine, conf. II
491960.8939 6.9204 -3.9205 3 405.7884333 89503 303554313 544212 a-Alanine, conf. II
491979.1829 45.1972 -3.3899 3 786.2687513 89503 303853947 843946 a-Alanine, conf. II
491980.0907162.9987 -3.4099 3 878.0587627 89503 303A4 599 A3 598 a-Alanine, conf. II
491980.0907162.9987 -4.5294 3 878.0587627 89503 303A4 599 A3 698 a-Alanine, conf. II
491980.0907162.9987 -4.5294 3 878.0587627 89503 303A4 699 A3 598 a-Alanine, conf. II
491980.0907162.9987 -3.4099 3 878.0587627 89503 303A4 699 A3 698 a-Alanine, conf. II
491984.5018 45.2767 -3.3899 3 786.2688513 89503 303853946 843945 a-Alanine, conf. II
492046.8150 22.3638 -3.3480 3 789.0828531 89503 303882861 872860 a-Alanine, conf. II
492046.9430 22.3642 -3.3480 3 789.0828531 89503 303882761 872760 a-Alanine, conf. II
492057.7224 40.3512 -3.7783 3 920.1740525 89503 303875532 865531 a-Alanine, conf. II
492057.7224 40.3512 -3.7783 3 920.1740525 89503 303875533 865532 a-Alanine, conf. II
492172.5420 58.2009 -3.4171 3 863.0069597 89503 303991287 981286 a-Alanine, conf. II
492172.5420 58.2009 -3.4171 3 863.0069597 89503 303991387 981386 a-Alanine, conf. II
492176.6523 31.1984 -3.4030 3 837.2275567 89503 303941975 931974 a-Alanine, conf. II
492176.6523 31.1984 -3.4030 3 837.2275567 89503 303942075 932074 a-Alanine, conf. II
492300.1207 4.6672 -4.0312 3 420.6224357 89503 303593821 583722 a-Alanine, conf. II
492300.1207 4.6672 -4.0312 3 420.6224357 89503 303593822 583721 a-Alanine, conf. II
492339.5852269.8746 -3.3999 3 884.2123645 89503 303A7 1A6 A6 1A5 a-Alanine, conf. II
492339.5852269.8746 -4.4990 3 884.2123645 89503 303A7 1A6 A6 2A5 a-Alanine, conf. II
492339.5852269.8746 -4.4990 3 884.2123645 89503 303A7 2A6 A6 1A5 a-Alanine, conf. II
492339.5852269.8746 -3.3999 3 884.2123645 89503 303A7 2A6 A6 2A5 a-Alanine, conf. II
492451.0052 40.5018 -3.7515 3 912.5713525 89503 303875433 865432 a-Alanine, conf. II
492451.0052 40.5018 -3.7515 3 912.5713525 89503 303875434 865433 a-Alanine, conf. II
492452.8266 41.8290 -3.5033 3 829.3017519 89503 303864443 854442 a-Alanine, conf. II
492452.8268 41.8290 -3.5033 3 829.3017519 89503 303864442 854441 a-Alanine, conf. II
492477.4533 9.1359 -4.0566 3 340.8908345 89503 303572434 562235 a-Alanine, conf. II
492481.7742 10.3722 -3.8553 3 401.0220315 89503 3035247 5 5146 6 a-Alanine, conf. II
492481.7742 10.3722 -3.8553 3 401.0220315 89503 3035247 6 5146 5 a-Alanine, conf. II
492649.6189 5.5458 -4.5262 3 222.5034255 89503 303423111 412912 a-Alanine, conf. II
492649.6189 5.5458 -4.5262 3 222.5034255 89503 303423112 412913 a-Alanine, conf. II
492741.5302107.6925 -3.4186 3 875.2468615 89503 303A2 894 A1 893 a-Alanine, conf. II
492741.5302107.6925 -4.5561 3 875.2468615 89503 303A2 894 A1 993 a-Alanine, conf. II
492741.5302107.6925 -4.5561 3 875.2468615 89503 303A2 994 A1 893 a-Alanine, conf. II
492741.5302107.6925 -3.4186 3 875.2468615 89503 303A2 994 A1 993 a-Alanine, conf. II
492812.7392 39.8868 -3.4169 3 855.6243585 89503 303971582 961581 a-Alanine, conf. II
492812.7392 39.8868 -3.4169 3 855.6243585 89503 303971682 961681 a-Alanine, conf. II
492871.0740 40.6830 -3.7254 3 905.1294525 89503 303875334 865333 a-Alanine, conf. II
492871.0740 40.6830 -3.7254 3 905.1294525 89503 303875335 865334 a-Alanine, conf. II
492923.9834 28.9997 -3.3926 3 825.1196555 89503 303922270 912269 a-Alanine, conf. II
492923.9834 28.9997 -3.3926 3 825.1196555 89503 303922370 912369 a-Alanine, conf. II
492935.4245 24.1522 -3.3628 3 800.0979537 89503 303892763 882762 a-Alanine, conf. II
492935.4302 24.1522 -3.3628 3 800.0979537 89503 303892663 882662 a-Alanine, conf. II
493115.6843 43.1044 -4.5308 3 1120.8381531 89503 303887513 877512 a-Alanine, conf. II
493115.6843 43.1044 -4.5308 3 1120.8381531 89503 303887514 877513 a-Alanine, conf. II
493189.9114 6.2123 -3.9428 3 410.2599339 89503 303564214 554115 a-Alanine, conf. II
493189.9114 6.2123 -3.9428 3 410.2599339 89503 303564215 554114 a-Alanine, conf. II
493194.6133188.6479 -3.4135 3 884.0133633 89503 303A5 4A1 A4 4A0 a-Alanine, conf. II
493194.6133188.6479 -4.5275 3 884.0133633 89503 303A5 4A1 A4 5A0 a-Alanine, conf. II
493194.6133188.6479 -4.5275 3 884.0133633 89503 303A5 5A1 A4 4A0 a-Alanine, conf. II
493194.6133188.6479 -3.4135 3 884.0133633 89503 303A5 5A1 A4 5A0 a-Alanine, conf. II
493198.7055 47.2840 -3.3019 3 752.5606507 89503 303843550 833549 a-Alanine, conf. II
493220.7324 76.3918 -3.2194 3 713.5309495 89503 303823349 813348 a-Alanine, conf. II
493233.4270 7.8592 -4.1722 3 294.6218327 89503 303541836 531637 a-Alanine, conf. II
493255.1875 42.9819 -4.4789 3 1110.1972531 89503 303887414 877413 a-Alanine, conf. II
493255.1875 42.9819 -4.4789 3 1110.1972531 89503 303887415 877414 a-Alanine, conf. II
493320.6651 40.8988 -3.7000 3 897.8500525 89503 303875235 865234 a-Alanine, conf. II
493320.6651 40.8988 -3.7000 3 897.8500525 89503 303875236 865235 a-Alanine, conf. II
493345.1236 4.7144 -4.0617 3 426.7482363 89503 303603723 593624 a-Alanine, conf. II
493345.1236 4.7144 -4.0617 3 426.7482363 89503 303603724 593623 a-Alanine, conf. II
493365.0762 42.7096 -3.4828 3 823.5701519 89503 303864344 854343 a-Alanine, conf. II
493365.0781 42.7096 -3.4828 3 823.5701519 89503 303864343 854342 a-Alanine, conf. II
493373.2995 2.9386 -4.2807 3 264.9962315 89503 303521537 511338 a-Alanine, conf. II
493374.9828 2.9378 -4.2807 3 264.9962315 89503 303521637 511438 a-Alanine, conf. II
493401.3987 42.8682 -4.4295 3 1099.7041531 89503 303887315 877314 a-Alanine, conf. II
493401.3987 42.8682 -4.4295 3 1099.7041531 89503 303887316 877315 a-Alanine, conf. II
493441.1519 68.9210 -3.4235 3 870.4845603 89503 303A01189 991188 a-Alanine, conf. II
493441.1519 68.9210 -3.4235 3 870.4845603 89503 303A01289 991288 a-Alanine, conf. II
493449.4239 32.7787 -3.4125 3 846.2552573 89503 303951877 941876 a-Alanine, conf. II
493449.4239 32.7787 -3.4125 3 846.2552573 89503 303951977 941976 a-Alanine, conf. II
493470.0688 7.6716 -4.1718 3 294.6221327 89503 303541936 531737 a-Alanine, conf. II
493519.9649306.4072 -3.4020 3 889.2976651 89503 303A8 0A8 A7 0A7 a-Alanine, conf. II
493519.9649306.4072 -4.4966 3 889.2976651 89503 303A8 0A8 A7 1A7 a-Alanine, conf. II
493519.9649306.4072 -4.4966 3 889.2976651 89503 303A8 1A8 A7 0A7 a-Alanine, conf. II
493519.9649306.4072 -3.4020 3 889.2976651 89503 303A8 1A8 A7 1A7 a-Alanine, conf. II
493554.7048 42.7635 -4.3824 3 1089.3591531 89503 303887216 877215 a-Alanine, conf. II
493554.7048 42.7635 -4.3824 3 1089.3591531 89503 303887217 877216 a-Alanine, conf. II
493635.5191 26.9969 -3.2785 3 745.2730507 89503 303843352 833351 a-Alanine, conf. II
493642.6442 47.6226 -3.3711 3 781.5576513 89503 303853848 843847 a-Alanine, conf. II
493680.4225 48.1402 -3.3711 3 781.5587513 89503 303853847 843846 a-Alanine, conf. II
493715.5237 42.6680 -4.3372 3 1079.1624531 89503 303887117 877116 a-Alanine, conf. II
493715.5237 42.6680 -4.3372 3 1079.1624531 89503 303887118 877117 a-Alanine, conf. II
493716.4221 38.4951 -4.0334 3 389.0875369 89503 303612437 602238 a-Alanine, conf. II
493759.0878 9.3697 -3.8734 3 404.2777321 89503 3035346 7 5245 8 a-Alanine, conf. II
493759.0878 9.3697 -3.8734 3 404.2777321 89503 3035346 8 5245 7 a-Alanine, conf. II
493802.9381 41.1544 -3.6752 3 890.7347525 89503 303875136 865135 a-Alanine, conf. II
493802.9381 41.1544 -3.6752 3 890.7347525 89503 303875137 865136 a-Alanine, conf. II
493884.3074 42.5821 -4.2939 3 1069.1145531 89503 303887018 877017 a-Alanine, conf. II
493884.3074 42.5821 -4.2939 3 1069.1145531 89503 303887019 877018 a-Alanine, conf. II
493947.7888 25.9325 -3.3767 3 810.8389543 89503 303902665 892664 a-Alanine, conf. II
493947.7890 25.9325 -3.3767 3 810.8389543 89503 303902565 892564 a-Alanine, conf. II
493980.7450126.5884 -3.4235 3 881.8602621 89503 303A3 796 A2 795 a-Alanine, conf. II
493980.7450126.5884 -4.5545 3 881.8602621 89503 303A3 796 A2 895 a-Alanine, conf. II
493980.7450126.5884 -4.5545 3 881.8602621 89503 303A3 896 A2 795 a-Alanine, conf. II
493980.7450126.5884 -3.4235 3 881.8602621 89503 303A3 896 A2 895 a-Alanine, conf. II
494061.5455 42.5062 -4.2523 3 1059.2158531 89503 303886919 876918 a-Alanine, conf. II
494061.5455 42.5062 -4.2523 3 1059.2158531 89503 303886920 876919 a-Alanine, conf. II
494081.5866 3.7895 -4.0764 3 332.4958339 89503 303562532 552333 a-Alanine, conf. II
494091.1763 4.6411 -4.4241 3 234.6093267 89503 303443014 432815 a-Alanine, conf. II
494091.1763 4.6411 -4.4241 3 234.6093267 89503 303443015 432816 a-Alanine, conf. II
494093.8485 45.4425 -3.4246 3 863.7649591 89503 303981484 971483 a-Alanine, conf. II
494093.8485 45.4425 -3.4246 3 863.7649591 89503 303981584 971583 a-Alanine, conf. II
494141.0389 13.1242 -4.0697 3 338.1879345 89503 303572335 562136 a-Alanine, conf. II
494149.1359 30.2805 -3.4037 3 834.8511561 89503 303932172 922171 a-Alanine, conf. II
494149.1359 30.2805 -3.4037 3 834.8511561 89503 303932272 922271 a-Alanine, conf. II
494204.0136 13.5110 -3.8180 3 402.5158303 89503 3035050 0 4949 1 a-Alanine, conf. II
494204.0136 13.5110 -3.8180 3 402.5158303 89503 3035050 1 4949 0 a-Alanine, conf. II
494247.7695 42.4405 -4.2122 3 1049.4666531 89503 303886820 876819 a-Alanine, conf. II
494247.7695 42.4405 -4.2122 3 1049.4666531 89503 303886821 876820 a-Alanine, conf. II
494309.1376 4.9579 -4.0947 3 433.2674369 89503 303613625 603526 a-Alanine, conf. II
494309.1376 4.9579 -4.0947 3 433.2674369 89503 303613626 603525 a-Alanine, conf. II
494321.5698 41.4560 -3.6511 3 883.7855525 89503 303875037 865036 a-Alanine, conf. II
494321.5698 41.4560 -3.6511 3 883.7855525 89503 303875038 865037 a-Alanine, conf. II
494376.5771 21.3870 -3.2672 3 741.3841507 89503 303843153 833152 a-Alanine, conf. II
494383.3269 43.7918 -3.4628 3 818.0333519 89503 303864245 854244 a-Alanine, conf. II
494383.3464 43.7921 -3.4628 3 818.0333519 89503 303864244 854243 a-Alanine, conf. II
494392.6065 6.5025 -4.4108 3 481.6884405 89503 303673038 662937 a-Alanine, conf. II
494395.0234 5.6235 -3.9665 3 415.0930345 89503 303574116 564017 a-Alanine, conf. II
494395.0234 5.6235 -3.9665 3 415.0930345 89503 303574117 564016 a-Alanine, conf. II
494399.6918217.1231 -3.4169 3 889.7613639 89503 303A6 3A3 A5 3A2 a-Alanine, conf. II
494399.6918217.1231 -4.5255 3 889.7613639 89503 303A6 3A3 A5 4A2 a-Alanine, conf. II
494399.6918217.1231 -4.5255 3 889.7613639 89503 303A6 4A3 A5 3A2 a-Alanine, conf. II
494399.6918217.1231 -3.4169 3 889.7613639 89503 303A6 4A3 A5 4A2 a-Alanine, conf. II
494401.3455 39.3504 -3.2874 3 748.8434507 89503 303843451 833450 a-Alanine, conf. II
494443.5571 42.3856 -4.1734 3 1039.8673531 89503 303886721 876720 a-Alanine, conf. II
494443.5571 42.3856 -4.1734 3 1039.8673531 89503 303886722 876721 a-Alanine, conf. II
494481.4263 82.3771 -3.2587 3 732.8519501 89503 303833449 823448 a-Alanine, conf. II
494523.9735 2.8173 -4.2058 3 277.0822303 89503 303502723 492524 a-Alanine, conf. II
494525.8562 2.8169 -4.2058 3 277.0822303 89503 303502724 492525 a-Alanine, conf. II
494649.5381 42.3420 -4.1360 3 1030.4185531 89503 303886622 876621 a-Alanine, conf. II
494649.5381 42.3420 -4.1360 3 1030.4185531 89503 303886623 876622 a-Alanine, conf. II
494702.3471 81.7502 -3.4296 3 877.7563609 89503 303A11091 A01090 a-Alanine, conf. II
494702.3471 81.7502 -3.4296 3 877.7563609 89503 303A11191 A01190 a-Alanine, conf. II
494728.0324 34.9429 -3.4216 3 855.0689579 89503 303961779 951778 a-Alanine, conf. II
494728.0324 34.9429 -3.4216 3 855.0689579 89503 303961879 951878 a-Alanine, conf. II
494866.3999 42.3103 -4.0998 3 1021.1207531 89503 303886523 876522 a-Alanine, conf. II
494866.3999 42.3103 -4.0998 3 1021.1207531 89503 303886524 876523 a-Alanine, conf. II
494880.8779 41.8112 -3.6275 3 877.0045525 89503 303874938 864937 a-Alanine, conf. II
494880.8779 41.8112 -3.6275 3 877.0045525 89503 303874939 864938 a-Alanine, conf. II
494983.3937 1.1514 -4.3757 3 248.4853309 89503 303511338 501139 a-Alanine, conf. II
494983.4210 1.1514 -4.3757 3 248.4853309 89503 303511438 501239 a-Alanine, conf. II
495026.7058 8.4318 -3.8926 3 407.8829327 89503 3035445 9 534410 a-Alanine, conf. II
495026.7058 8.4318 -3.8926 3 407.8829327 89503 303544510 5344 9 a-Alanine, conf. II
495044.9510 27.6264 -3.3897 3 821.3222549 89503 303912467 902466 a-Alanine, conf. II
495044.9510 27.6264 -3.3897 3 821.3222549 89503 303912567 902566 a-Alanine, conf. II
495062.0843 3.8479 -4.3401 3 247.7157279 89503 303462917 452718 a-Alanine, conf. II
495062.0844 3.8479 -4.3401 3 247.7157279 89503 303462918 452719 a-Alanine, conf. II
495073.5532 19.0361 -3.3171 3 770.4733519 89503 303863156 853155 a-Alanine, conf. II
495094.8952 42.2911 -4.0647 3 1011.9743531 89503 303886424 876423 a-Alanine, conf. II
495094.8952 42.2911 -4.0647 3 1011.9743531 89503 303886425 876424 a-Alanine, conf. II
495108.3836 18.8007 -3.2965 3 758.0361513 89503 303853254 843253 a-Alanine, conf. II
495164.4985 5.3697 -4.1309 3 440.1919375 89503 303623528 613427 a-Alanine, conf. II
495164.4986 5.3697 -4.1309 3 440.1919375 89503 303623527 613428 a-Alanine, conf. II
495197.3522 20.4187 -3.3362 3 782.5005525 89503 303873058 863057 a-Alanine, conf. II
495210.7257147.9615 -3.4280 3 888.2679627 89503 303A4 698 A3 697 a-Alanine, conf. II
495210.7257147.9615 -4.5529 3 888.2679627 89503 303A4 698 A3 797 a-Alanine, conf. II
495210.7257147.9615 -4.5529 3 888.2679627 89503 303A4 798 A3 697 a-Alanine, conf. II
495210.7257147.9615 -3.4280 3 888.2679627 89503 303A4 798 A3 797 a-Alanine, conf. II
495215.7239 20.4435 -3.3361 3 782.4994525 89503 303872958 862957 a-Alanine, conf. II
495310.0832 19.1684 -3.3166 3 770.4574519 89503 303863056 853055 a-Alanine, conf. II
495335.8498 42.2853 -4.0307 3 1002.9799531 89503 303886325 876324 a-Alanine, conf. II
495335.8498 42.2853 -4.0307 3 1002.9799531 89503 303886326 876325 a-Alanine, conf. II
495336.4629 3.2158 -4.2685 3 261.8568291 89503 303482820 472621 a-Alanine, conf. II
495336.4809 3.2158 -4.2685 3 261.8568291 89503 303482821 472622 a-Alanine, conf. II
495362.2495 20.1672 -4.1066 3 335.2674345 89503 303572136 561937 a-Alanine, conf. II
495370.8642 52.7667 -3.4319 3 871.6979597 89503 303991386 981385 a-Alanine, conf. II
495370.8642 52.7667 -3.4319 3 871.6979597 89503 303991486 981485 a-Alanine, conf. II
495396.4802 31.5286 -3.4143 3 844.3579567 89503 303942074 932073 a-Alanine, conf. II
495396.4802 31.5286 -3.4143 3 844.3579567 89503 303942174 932173 a-Alanine, conf. II
495428.7004 2.8100 -4.1370 3 303.5782321 89503 303532627 522428 a-Alanine, conf. II
495445.4979 1.8566 -4.4924 3 231.9590303 89503 303501139 49 940 a-Alanine, conf. II
495445.4982 1.8566 -4.4924 3 231.9590303 89503 303501239 491040 a-Alanine, conf. II
495485.9830 42.2297 -3.6046 3 870.3944525 89503 303874839 864838 a-Alanine, conf. II
495485.9830 42.2297 -3.6046 3 870.3944525 89503 303874840 864839 a-Alanine, conf. II
495496.2898 12.3442 -3.8337 3 404.9290309 89503 3035149 2 5048 3 a-Alanine, conf. II
495496.2898 12.3442 -3.8337 3 404.9290309 89503 3035149 3 5048 2 a-Alanine, conf. II
495531.3957 45.1450 -3.4433 3 812.6988519 89503 303864146 854145 a-Alanine, conf. II
495531.5783 45.1483 -3.4433 3 812.6988519 89503 303864145 854144 a-Alanine, conf. II
495569.3643 5.1838 -3.9918 3 420.2926351 89503 303584018 573919 a-Alanine, conf. II
495569.3643 5.1838 -3.9918 3 420.2926351 89503 303584019 573918 a-Alanine, conf. II
495590.1724 42.2938 -3.9977 3 994.1383531 89503 303886226 876225 a-Alanine, conf. II
495590.1724 42.2938 -3.9977 3 994.1383531 89503 303886227 876226 a-Alanine, conf. II
495595.4861248.5843 -3.4198 3 895.3020645 89503 303A7 2A5 A6 2A4 a-Alanine, conf. II
495595.4861248.5843 -4.5235 3 895.3020645 89503 303A7 2A5 A6 3A4 a-Alanine, conf. II
495595.4861248.5843 -4.5235 3 895.3020645 89503 303A7 3A5 A6 2A4 a-Alanine, conf. II
495595.4861248.5843 -3.4198 3 895.3020645 89503 303A7 3A5 A6 3A4 a-Alanine, conf. II
495598.4219 50.3651 -3.3526 3 777.0996513 89503 303853749 843748 a-Alanine, conf. II
495645.6809 10.5266 -4.1467 3 307.9860333 89503 303551936 541737 a-Alanine, conf. II
495675.6276 9.6887 -4.4089 3 481.6563405 89503 303673037 662938 a-Alanine, conf. II
495680.3532 2.7952 -4.1366 3 303.5695321 89503 303532628 522429 a-Alanine, conf. II
495691.5004 22.0377 -3.3534 3 794.1595531 89503 303882960 872959 a-Alanine, conf. II
495692.6235 22.0404 -3.3534 3 794.1595531 89503 303882860 872859 a-Alanine, conf. II
495796.3480 6.2871 -4.0036 3 405.5561375 89503 303622636 612437 a-Alanine, conf. II
495832.8068 53.2712 -3.3522 3 777.1069513 89503 303853748 843747 a-Alanine, conf. II
495858.8654 42.3177 -3.9656 3 985.4500531 89503 303886127 876126 a-Alanine, conf. II
495858.8654 42.3177 -3.9656 3 985.4500531 89503 303886128 876127 a-Alanine, conf. II
495870.9778 5.9112 -4.1709 3 447.5369381 89503 303633430 623329 a-Alanine, conf. II
495870.9823 5.9112 -4.1709 3 447.5369381 89503 303633429 623330 a-Alanine, conf. II
495955.4487 96.7878 -3.4353 3 884.8224615 89503 303A2 993 A1 992 a-Alanine, conf. II
495955.4487 96.7878 -3.4353 3 884.8224615 89503 303A21093 A11092 a-Alanine, conf. II
496008.9485 38.0374 -3.4303 3 863.6708585 89503 303971681 961680 a-Alanine, conf. II
496008.9485 38.0374 -3.4303 3 863.6708585 89503 303971781 961780 a-Alanine, conf. II
496058.1374 34.2416 -3.2022 3 711.0628495 89503 303823250 813249 a-Alanine, conf. II
496143.0301 42.7239 -3.5823 3 863.9581525 89503 303874740 864739 a-Alanine, conf. II
496143.0301 42.7239 -3.5823 3 863.9581525 89503 303874741 864740 a-Alanine, conf. II
496143.0386 42.3582 -3.9345 3 976.9158531 89503 303886028 876027 a-Alanine, conf. II
496143.0386 42.3582 -3.9345 3 976.9158531 89503 303886029 876028 a-Alanine, conf. II
496161.6246 73.9062 -3.2964 3 752.6794507 89503 303843549 833548 a-Alanine, conf. II
496201.3770 7.6443 -4.3299 3 472.3375399 89503 303663136 653035 a-Alanine, conf. II
496201.4636 29.1868 -3.4022 3 831.5602555 89503 303922369 912368 a-Alanine, conf. II
496201.4636 29.1868 -3.4022 3 831.5602555 89503 303922469 912468 a-Alanine, conf. II
496281.8244 7.5682 -3.9130 3 411.8404333 89503 303554411 544312 a-Alanine, conf. II
496281.8244 7.5682 -3.9130 3 411.8404333 89503 303554412 544311 a-Alanine, conf. II
496286.0653 7.8927 -4.3297 3 472.3353399 89503 303663135 653036 a-Alanine, conf. II
496367.0947 6.5382 -4.2159 3 455.3222387 89503 303643332 633231 a-Alanine, conf. II
496367.2500 6.5387 -4.2159 3 455.3222387 89503 303643331 633232 a-Alanine, conf. II
496426.8883 9.8380 -4.1455 3 307.9870333 89503 303552036 541837 a-Alanine, conf. II
496431.3650171.9465 -3.4321 3 894.4694633 89503 303A5 5A0 A4 599 a-Alanine, conf. II
496431.3650171.9465 -4.5513 3 894.4694633 89503 303A5 5A0 A4 699 a-Alanine, conf. II
496431.3650171.9465 -4.5513 3 894.4694633 89503 303A5 6A0 A4 599 a-Alanine, conf. II
496431.3650171.9465 -3.4321 3 894.4694633 89503 303A5 6A0 A4 699 a-Alanine, conf. II
496443.9245 42.4167 -3.9042 3 968.5365531 89503 303885929 875928 a-Alanine, conf. II
496443.9245 42.4167 -3.9042 3 968.5365531 89503 303885930 875929 a-Alanine, conf. II
496444.1295 23.8275 -3.3693 3 805.4957537 89503 303892862 882861 a-Alanine, conf. II
496444.1858 23.8277 -3.3693 3 805.4957537 89503 303892762 882761 a-Alanine, conf. II
496550.4831 7.1874 -4.2677 3 463.5753393 89503 303653234 643133 a-Alanine, conf. II
496554.6226 7.2004 -4.2677 3 463.5752393 89503 303653233 643134 a-Alanine, conf. II
496642.3718 62.0363 -3.4389 3 879.4241603 89503 303A01288 991287 a-Alanine, conf. II
496642.3718 62.0363 -3.4389 3 879.4241603 89503 303A01388 991387 a-Alanine, conf. II
496658.7001 32.8937 -3.4244 3 853.6447573 89503 303951976 941975 a-Alanine, conf. II
496658.7001 32.8937 -3.4244 3 853.6447573 89503 303952076 942075 a-Alanine, conf. II
496687.8262 14.3603 -4.1249 3 321.5382339 89503 303562036 551837 a-Alanine, conf. II
496703.9813 4.9249 -4.0189 3 425.8643357 89503 303593920 583821 a-Alanine, conf. II
496703.9813 4.9249 -4.0189 3 425.8643357 89503 303593921 583820 a-Alanine, conf. II
496762.8968 42.4949 -3.8748 3 960.3129531 89503 303885830 875829 a-Alanine, conf. II
496762.8968 42.4949 -3.8748 3 960.3129531 89503 303885831 875830 a-Alanine, conf. II
496782.2377283.2002 -3.4224 3 900.6350651 89503 303A8 1A7 A7 1A6 a-Alanine, conf. II
496782.2377283.2002 -4.5214 3 900.6350651 89503 303A8 1A7 A7 2A6 a-Alanine, conf. II
496782.2377283.2002 -4.5214 3 900.6350651 89503 303A8 2A7 A7 1A6 a-Alanine, conf. II
496782.2377283.2002 -3.4224 3 900.6350651 89503 303A8 2A7 A7 2A6 a-Alanine, conf. II
496783.5700 11.2317 -3.8504 3 407.6863315 89503 3035248 4 5147 5 a-Alanine, conf. II
496783.5700 11.2317 -3.8504 3 407.6863315 89503 3035248 5 5147 4 a-Alanine, conf. II
496842.4796 46.8725 -3.4241 3 807.5766519 89503 303864047 854046 a-Alanine, conf. II
496844.0260 46.8982 -3.4241 3 807.5766519 89503 303864046 854045 a-Alanine, conf. II
496859.4936 43.3099 -3.5605 3 857.6988525 89503 303874641 864640 a-Alanine, conf. II
496859.4936 43.3099 -3.5605 3 857.6988525 89503 303874642 864641 a-Alanine, conf. II
497101.4929 42.5948 -3.8461 3 952.2462531 89503 303885731 875730 a-Alanine, conf. II
497101.4929 42.5948 -3.8461 3 952.2462531 89503 303885732 875731 a-Alanine, conf. II
497198.2756 11.8207 -4.0379 3 393.2087369 89503 303612635 602436 a-Alanine, conf. II
497199.9651114.1389 -3.4407 3 891.6829621 89503 303A3 895 A2 894 a-Alanine, conf. II
497199.9651114.1389 -3.4407 3 891.6829621 89503 303A3 995 A2 994 a-Alanine, conf. II
497278.8972 20.3977 -3.2919 3 757.8747513 89503 303853154 843153 a-Alanine, conf. II
497289.4126 42.4193 -3.4386 3 872.0628591 89503 303981583 971582 a-Alanine, conf. II
497289.4126 42.4193 -3.4386 3 872.0628591 89503 303981683 971682 a-Alanine, conf. II
497364.2515 25.6871 -3.3842 3 816.5405543 89503 303902764 892763 a-Alanine, conf. II
497364.2538 25.6871 -3.3842 3 816.5405543 89503 303902664 892663 a-Alanine, conf. II
497399.8716 30.6042 -3.4140 3 841.5618561 89503 303932271 922270 a-Alanine, conf. II
497399.8716 30.6042 -3.4140 3 841.5618561 89503 303932371 922370 a-Alanine, conf. II
497461.4408 42.7188 -3.8183 3 944.3373531 89503 303885632 875631 a-Alanine, conf. II
497461.4408 42.7188 -3.8183 3 944.3373531 89503 303885633 875632 a-Alanine, conf. II
497520.8881 6.7935 -3.9345 3 416.1533339 89503 303564313 554214 a-Alanine, conf. II
497520.8881 6.7935 -3.9345 3 416.1533339 89503 303564314 554213 a-Alanine, conf. II
497642.6646198.6884 -3.4360 3 900.4645639 89503 303A6 4A2 A5 4A1 a-Alanine, conf. II
497642.6646198.6884 -4.5496 3 900.4645639 89503 303A6 4A2 A5 5A1 a-Alanine, conf. II
497642.6646198.6884 -4.5496 3 900.4645639 89503 303A6 5A2 A5 4A1 a-Alanine, conf. II
497642.6646198.6884 -3.4360 3 900.4645639 89503 303A6 5A2 A5 5A1 a-Alanine, conf. II
497644.6099 44.0088 -3.5393 3 851.6206525 89503 303874542 864541 a-Alanine, conf. II
497644.6099 44.0088 -3.5393 3 851.6206525 89503 303874543 864542 a-Alanine, conf. II
497703.4240 4.3157 -4.2448 3 278.0202321 89503 303531637 521438 a-Alanine, conf. II
497710.7565 4.3111 -4.2448 3 278.0202321 89503 303531737 521538 a-Alanine, conf. II
497725.5941 9.5787 -3.9804 3 418.0755381 89503 303632637 622438 a-Alanine, conf. II
497772.7107 51.8323 -3.3344 3 772.9158513 89503 303853650 843649 a-Alanine, conf. II
497787.0441 4.8698 -4.0479 3 431.8149363 89503 303603822 593723 a-Alanine, conf. II
497787.0441 4.8698 -4.0479 3 431.8149363 89503 303603823 593722 a-Alanine, conf. II
497844.6924 42.8695 -3.7911 3 936.5873531 89503 303885533 875532 a-Alanine, conf. II
497844.6924 42.8695 -3.7911 3 936.5873531 89503 303885534 875533 a-Alanine, conf. II
497907.2712 73.3791 -3.4455 3 886.9439609 89503 303A11190 A01189 a-Alanine, conf. II
497907.2712 73.3791 -3.4455 3 886.9439609 89503 303A11290 A01289 a-Alanine, conf. II
497930.2439 34.6056 -3.4341 3 862.7149579 89503 303961878 951877 a-Alanine, conf. II
497930.2439 34.6056 -3.4341 3 862.7149579 89503 303961978 951977 a-Alanine, conf. II
497933.2078 5.4198 -4.4911 3 230.4560261 89503 303433112 422913 a-Alanine, conf. II
497933.2078 5.4198 -4.4911 3 230.4560261 89503 303433113 422914 a-Alanine, conf. II
497960.2635321.1470 -3.4247 3 905.7597657 89503 303A9 0A9 A8 0A8 a-Alanine, conf. II
497960.2635321.1470 -4.5192 3 905.7597657 89503 303A9 0A9 A8 1A8 a-Alanine, conf. II
497960.2635321.1470 -4.5192 3 905.7597657 89503 303A9 1A9 A8 0A8 a-Alanine, conf. II
497960.2635321.1470 -3.4247 3 905.7597657 89503 303A9 1A9 A8 1A8 a-Alanine, conf. II
498064.3309 10.1764 -3.8679 3 410.7895321 89503 3035347 6 5246 7 a-Alanine, conf. II
498064.3309 10.1764 -3.8679 3 410.7895321 89503 3035347 7 5246 6 a-Alanine, conf. II
498137.2869 6.0343 -4.4497 3 494.8136411 89503 303683039 672938 a-Alanine, conf. II
498253.4633 43.0503 -3.7647 3 928.9977531 89503 303885434 875433 a-Alanine, conf. II
498253.4633 43.0503 -3.7647 3 928.9977531 89503 303885435 875434 a-Alanine, conf. II
498342.8245 5.0145 -4.0689 3 343.4874345 89503 303572533 562334 a-Alanine, conf. II
498343.6555 23.8249 -4.5256 3 491.5635411 89503 303682939 672840 a-Alanine, conf. II
498363.2050 49.1095 -3.4052 3 802.6793519 89503 303863948 853947 a-Alanine, conf. II
498374.9582 49.2895 -3.4052 3 802.6797519 89503 303863947 853946 a-Alanine, conf. II
498396.5682 27.5176 -3.3981 3 827.3152549 89503 303912666 902665 a-Alanine, conf. II
498396.5683 27.5176 -3.3981 3 827.3152549 89503 303912566 902565 a-Alanine, conf. II
498435.5639133.9186 -3.4458 3 898.3376627 89503 303A4 797 A3 796 a-Alanine, conf. II
498435.5639133.9186 -3.4458 3 898.3376627 89503 303A4 897 A3 896 a-Alanine, conf. II
498510.0112 44.8496 -3.5185 3 845.7281525 89503 303874444 864443 a-Alanine, conf. II
498510.0116 44.8496 -3.5185 3 845.7281525 89503 303874443 864442 a-Alanine, conf. II
498567.2572 48.4037 -3.4465 3 880.2461597 89503 303991485 981484 a-Alanine, conf. II
498567.2572 48.4037 -3.4465 3 880.2461597 89503 303991585 981584 a-Alanine, conf. II
498583.8225 24.4914 -3.2986 3 761.7389513 89503 303853353 843352 a-Alanine, conf. II
498627.7466 31.9152 -3.4253 3 851.3341567 89503 303942173 932172 a-Alanine, conf. II
498627.7466 31.9152 -3.4253 3 851.3341567 89503 303942273 932272 a-Alanine, conf. II
498690.2845 43.2652 -3.7389 3 921.5699531 89503 303885335 875334 a-Alanine, conf. II
498690.2845 43.2652 -3.7389 3 921.5699531 89503 303885336 875335 a-Alanine, conf. II
498725.5144 2.9694 -4.1255 3 313.9052327 89503 303542628 532429 a-Alanine, conf. II
498731.5961 45.4492 -4.5255 3 1137.2867537 89503 303897514 887513 a-Alanine, conf. II
498731.5961 45.4492 -4.5255 3 1137.2867537 89503 303897515 887514 a-Alanine, conf. II
498739.3694 6.1284 -3.9574 3 420.8254345 89503 303574215 564116 a-Alanine, conf. II
498739.3694 6.1284 -3.9574 3 420.8254345 89503 303574216 564115 a-Alanine, conf. II
498802.6505 5.0225 -4.0792 3 438.1528369 89503 303613724 603625 a-Alanine, conf. II
498802.6505 5.0225 -4.0792 3 438.1528369 89503 303613725 603624 a-Alanine, conf. II
498844.7239228.3418 -3.4394 3 906.2527645 89503 303A7 3A4 A6 3A3 a-Alanine, conf. II
498844.7239228.3418 -4.5479 3 906.2527645 89503 303A7 3A4 A6 4A3 a-Alanine, conf. II
498844.7239228.3418 -4.5479 3 906.2527645 89503 303A7 4A4 A6 3A3 a-Alanine, conf. II
498844.7239228.3418 -3.4394 3 906.2527645 89503 303A7 4A4 A6 4A3 a-Alanine, conf. II
498876.2018 45.3354 -4.4758 3 1126.6504537 89503 303897415 887414 a-Alanine, conf. II
498876.2018 45.3354 -4.4758 3 1126.6504537 89503 303897416 887415 a-Alanine, conf. II
498903.2512 2.8488 -4.1904 3 286.7167309 89503 303512724 502525 a-Alanine, conf. II
498908.2619 2.8481 -4.1904 3 286.7165309 89503 303512725 502526 a-Alanine, conf. II
498997.0284 65.1228 -3.3323 3 772.9596513 89503 303853649 843648 a-Alanine, conf. II
499027.7519 45.2306 -4.4283 3 1116.1622537 89503 303897316 887315 a-Alanine, conf. II
499027.7519 45.2306 -4.4283 3 1116.1622537 89503 303897317 887316 a-Alanine, conf. II
499031.0606 12.1502 -4.1218 3 321.5421339 89503 303562136 551937 a-Alanine, conf. II
499158.0649 43.5188 -3.7138 3 914.3054531 89503 303885236 875235 a-Alanine, conf. II
499158.0649 43.5188 -3.7138 3 914.3054531 89503 303885237 875236 a-Alanine, conf. II
499164.7197 86.9005 -3.4518 3 894.2578615 89503 303A21092 A11091 a-Alanine, conf. II
499164.7197 86.9005 -3.4518 3 894.2578615 89503 303A21192 A11191 a-Alanine, conf. II
499186.6486 45.1353 -4.3829 3 1105.8223537 89503 303897217 887216 a-Alanine, conf. II
499186.6486 45.1353 -4.3829 3 1105.8223537 89503 303897218 887217 a-Alanine, conf. II
499206.8379 36.9711 -3.4434 3 871.5712585 89503 303971780 961779 a-Alanine, conf. II
499206.8379 36.9711 -3.4434 3 871.5712585 89503 303971880 961879 a-Alanine, conf. II
499256.7886 4.5256 -4.3965 3 242.9665273 89503 303453015 442816 a-Alanine, conf. II
499256.7886 4.5256 -4.3965 3 242.9665273 89503 303453016 442817 a-Alanine, conf. II
499263.3936 20.2529 -3.3391 3 786.9872525 89503 303873157 863156 a-Alanine, conf. II
499280.5891 2.9202 -4.1247 3 313.8859327 89503 303542629 532430 a-Alanine, conf. II
499336.6519 9.1836 -3.8865 3 414.2408327 89503 3035446 8 5345 9 a-Alanine, conf. II
499336.6519 9.1836 -3.8865 3 414.2408327 89503 3035446 9 5345 8 a-Alanine, conf. II
499348.8283 19.3549 -3.3184 3 774.5511519 89503 303863255 853254 a-Alanine, conf. II
499353.3267 45.0496 -4.3392 3 1095.6310537 89503 303897118 887117 a-Alanine, conf. II
499353.3267 45.0496 -4.3392 3 1095.6310537 89503 303897119 887118 a-Alanine, conf. II
499384.6304 20.3421 -3.3389 3 786.9792525 89503 303873057 863056 a-Alanine, conf. II
499470.6842 45.8724 -3.4983 3 840.0270525 89503 303874345 864344 a-Alanine, conf. II
499470.6892 45.8725 -3.4983 3 840.0270525 89503 303874344 864343 a-Alanine, conf. II
499483.5617 21.7550 -3.3580 3 799.0185531 89503 303883059 873058 a-Alanine, conf. II
499492.3661 21.7698 -3.3580 3 799.0180531 89503 303882959 872958 a-Alanine, conf. II
499506.4161 29.2456 -3.4113 3 837.8352555 89503 303922468 912467 a-Alanine, conf. II
499506.4161 29.2456 -3.4113 3 837.8352555 89503 303922568 912567 a-Alanine, conf. II
499528.2566 44.9739 -4.2973 3 1085.5887537 89503 303897019 887018 a-Alanine, conf. II
499528.2566 44.9739 -4.2973 3 1085.5887537 89503 303897020 887019 a-Alanine, conf. II
499660.1732 43.8172 -3.6894 3 907.2062531 89503 303885137 875136 a-Alanine, conf. II
499660.1732 43.8172 -3.6894 3 907.2062531 89503 303885138 875137 a-Alanine, conf. II
499662.0504156.2535 -3.4504 3 904.7863633 89503 303A5 699 A4 698 a-Alanine, conf. II
499662.0504156.2535 -3.4504 3 904.7863633 89503 303A5 799 A4 798 a-Alanine, conf. II
499669.7731 48.1322 -3.3178 3 769.0119513 89503 303853551 843550 a-Alanine, conf. II
499711.9481 44.9086 -4.2568 3 1075.6959537 89503 303896920 886919 a-Alanine, conf. II
499711.9481 44.9086 -4.2568 3 1075.6959537 89503 303896921 886920 a-Alanine, conf. II
499728.9464 5.3639 -4.1133 3 444.8882375 89503 303623626 613527 a-Alanine, conf. II
499728.9464 5.3639 -4.1133 3 444.8882375 89503 303623627 613526 a-Alanine, conf. II
499794.3206 13.3001 -3.8299 3 411.8915309 89503 3035150 1 5049 2 a-Alanine, conf. II
499794.3206 13.3001 -3.8299 3 411.8915309 89503 3035150 2 5049 1 a-Alanine, conf. II
499840.7797 56.2330 -3.4540 3 888.2217603 89503 303A01387 991386 a-Alanine, conf. II
499840.7797 56.2330 -3.4540 3 888.2217603 89503 303A01487 991486 a-Alanine, conf. II
499875.9818 33.2146 -3.4360 3 860.8826573 89503 303952075 942074 a-Alanine, conf. II
499875.9818 33.2146 -3.4360 3 860.8826573 89503 303952175 942174 a-Alanine, conf. II
499904.9548 44.8542 -4.2178 3 1065.9529537 89503 303896821 886820 a-Alanine, conf. II
499904.9548 44.8542 -4.2178 3 1065.9529537 89503 303896822 886821 a-Alanine, conf. II
499931.4664 5.6004 -3.9817 3 425.8609351 89503 303584117 574018 a-Alanine, conf. II
499931.4664 5.6004 -3.9817 3 425.8609351 89503 303584118 574017 a-Alanine, conf. II
499954.7338 1.8387 -4.3309 3 261.3435315 89503 303521438 511239 a-Alanine, conf. II
499954.8771 1.8387 -4.3309 3 261.3435315 89503 303521538 511339 a-Alanine, conf. II
500037.7300261.0702 -3.4425 3 911.8333651 89503 303A8 2A6 A7 2A5 a-Alanine, conf. II
500037.7300261.0702 -4.5462 3 911.8333651 89503 303A8 2A6 A7 3A5 a-Alanine, conf. II
500037.7300261.0702 -4.5462 3 911.8333651 89503 303A8 3A6 A7 2A5 a-Alanine, conf. II
500037.7300261.0702 -3.4425 3 911.8333651 89503 303A8 3A6 A7 3A5 a-Alanine, conf. II
500050.3978 23.4825 -3.3751 3 810.6940537 89503 303892961 882960 a-Alanine, conf. II
500050.9088 23.4839 -3.3751 3 810.6940537 89503 303892861 882860 a-Alanine, conf. II
500062.1754 3.7573 -4.3176 3 256.4857285 89503 303472918 462719 a-Alanine, conf. II
500062.1758 3.7573 -4.3176 3 256.4857285 89503 303472919 462720 a-Alanine, conf. II
500094.9836 3.1738 -4.2500 3 271.0507297 89503 303492821 482622 a-Alanine, conf. II
500095.0389 3.1738 -4.2500 3 271.0507297 89503 303492822 482623 a-Alanine, conf. II
500107.8791 44.8112 -4.1800 3 1056.3602537 89503 303896722 886721 a-Alanine, conf. II
500107.8791 44.8112 -4.1800 3 1056.3602537 89503 303896723 886722 a-Alanine, conf. II
500144.3671 12.9200 -4.0668 3 381.0795363 89503 303602634 592435 a-Alanine, conf. II
500151.5348 51.9073 -3.3866 3 798.0238519 89503 303863849 853848 a-Alanine, conf. II
500200.5421 44.1673 -3.6655 3 900.2742531 89503 303885038 875037 a-Alanine, conf. II
500200.5421 44.1673 -3.6655 3 900.2742531 89503 303885039 875038 a-Alanine, conf. II
500224.0531 36.9797 -3.3052 3 765.3349513 89503 303853452 843451 a-Alanine, conf. II
500230.6173 53.0138 -3.3864 3 798.0261519 89503 303863848 853847 a-Alanine, conf. II
500321.3779 44.7801 -4.1435 3 1046.9183537 89503 303896623 886622 a-Alanine, conf. II
500321.3779 44.7801 -4.1435 3 1046.9183537 89503 303896624 886623 a-Alanine, conf. II
500393.2779 12.0963 -4.0614 3 352.0123351 89503 303582435 572236 a-Alanine, conf. II
500414.0892102.7015 -3.4577 3 901.3657621 89503 303A3 994 A2 993 a-Alanine, conf. II
500414.0892102.7015 -3.4577 3 901.3657621 89503 303A31094 A21093 a-Alanine, conf. II
500432.3180 19.0247 -3.2254 3 727.6095501 89503 303833251 823250 a-Alanine, conf. II
500485.1581 40.3485 -3.4523 3 880.2159591 89503 303981682 971681 a-Alanine, conf. II
500485.1581 40.3485 -3.4523 3 880.2159591 89503 303981782 971781 a-Alanine, conf. II
500535.0124 5.8599 -4.1506 3 452.0337381 89503 303633529 623428 a-Alanine, conf. II
500535.0127 5.8599 -4.1506 3 452.0337381 89503 303633528 623429 a-Alanine, conf. II
500546.1688 44.7617 -4.1080 3 1037.6276537 89503 303896524 886523 a-Alanine, conf. II
500546.1688 44.7617 -4.1080 3 1037.6276537 89503 303896525 886524 a-Alanine, conf. II
500546.4795 47.1355 -3.4785 3 834.5241525 89503 303874246 864245 a-Alanine, conf. II
500546.5280 47.1365 -3.4785 3 834.5241525 89503 303874245 864244 a-Alanine, conf. II
500588.0200 20.1311 -3.3159 3 774.4621519 89503 303863155 853154 a-Alanine, conf. II
500598.1115 8.2616 -3.9062 3 418.0428333 89503 303554510 544411 a-Alanine, conf. II
500598.1115 8.2616 -3.9062 3 418.0428333 89503 303554511 544410 a-Alanine, conf. II
500670.8059 30.8306 -3.4238 3 848.1117561 89503 303932370 922369 a-Alanine, conf. II
500670.8059 30.8306 -3.4238 3 848.1117561 89503 303932470 922469 a-Alanine, conf. II
500756.1216 11.9586 -4.4461 3 494.7489411 89503 303683038 672939 a-Alanine, conf. II
500783.0381 44.7567 -4.0737 3 1028.4889537 89503 303896425 886424 a-Alanine, conf. II
500783.0381 44.7567 -4.0737 3 1028.4889537 89503 303896426 886425 a-Alanine, conf. II
500783.8064 44.5783 -3.6423 3 893.5120531 89503 303884939 874938 a-Alanine, conf. II
500783.8064 44.5783 -3.6423 3 893.5120531 89503 303884940 874939 a-Alanine, conf. II
500847.8822 25.3633 -3.3910 3 822.0553543 89503 303902863 892862 a-Alanine, conf. II
500847.9068 25.3634 -3.3910 3 822.0553543 89503 303902763 892762 a-Alanine, conf. II
500869.6121 1.3696 -4.4354 3 244.6363309 89503 303511239 501040 a-Alanine, conf. II
500869.6139 1.3696 -4.4354 3 244.6363309 89503 303511339 501140 a-Alanine, conf. II
500879.3503181.2812 -3.4548 3 911.0286639 89503 303A6 5A1 A5 5A0 a-Alanine, conf. II
500879.3503181.2812 -3.4548 3 911.0286639 89503 303A6 6A1 A5 6A0 a-Alanine, conf. II
501002.2048 8.0590 -4.3598 3 485.1536405 89503 303673137 663036 a-Alanine, conf. II
501032.8491 44.7661 -4.0404 3 1019.5026537 89503 303896326 886325 a-Alanine, conf. II
501032.8491 44.7661 -4.0404 3 1019.5026537 89503 303896327 886326 a-Alanine, conf. II
501060.9935 7.5267 -4.4938 3 508.1865417 89503 303693040 682939 a-Alanine, conf. II
501083.6902 12.1354 -3.8461 3 414.4980315 89503 3035249 3 5148 4 a-Alanine, conf. II
501083.6902 12.1354 -3.8461 3 414.4980315 89503 3035249 4 5148 3 a-Alanine, conf. II
501089.6811 5.2418 -4.0077 3 431.2650357 89503 303594019 583920 a-Alanine, conf. II
501089.6811 5.2418 -4.0077 3 431.2650357 89503 303594020 583919 a-Alanine, conf. II
501108.6475 66.0796 -3.4612 3 895.9903609 89503 303A11289 A01288 a-Alanine, conf. II
501108.6475 66.0796 -3.4612 3 895.9903609 89503 303A11389 A01388 a-Alanine, conf. II
501137.7541 34.6689 -3.4463 3 870.2115579 89503 303961977 951976 a-Alanine, conf. II
501137.7541 34.6689 -3.4463 3 870.2115579 89503 303962077 952076 a-Alanine, conf. II
501175.3665 6.4697 -4.1921 3 459.6059387 89503 303643431 633330 a-Alanine, conf. II
501175.3797 6.4697 -4.1921 3 459.6059387 89503 303643430 633331 a-Alanine, conf. II
501193.9146 8.6370 -4.3595 3 485.1487405 89503 303673136 663037 a-Alanine, conf. II
501198.9120 35.6946 -4.0812 3 374.6569363 89503 303602337 592138 a-Alanine, conf. II
501221.9509297.0453 -3.4453 3 917.2059657 89503 303A9 1A8 A8 1A7 a-Alanine, conf. II
501221.9509297.0453 -4.5443 3 917.2059657 89503 303A9 1A8 A8 2A7 a-Alanine, conf. II
501221.9509297.0453 -4.5443 3 917.2059657 89503 303A9 2A8 A8 1A7 a-Alanine, conf. II
501221.9509297.0453 -3.4453 3 917.2059657 89503 303A9 2A8 A8 2A7 a-Alanine, conf. II
501296.5528 44.7910 -4.0080 3 1010.6694537 89503 303896227 886226 a-Alanine, conf. II
501296.5528 44.7910 -4.0080 3 1010.6694537 89503 303896228 886227 a-Alanine, conf. II
501339.5963 68.8641 -3.2301 3 729.9830501 89503 303833350 823349 a-Alanine, conf. II
501415.4867 45.0614 -3.6197 3 886.9221531 89503 303884840 874839 a-Alanine, conf. II
501415.4867 45.0614 -3.6197 3 886.9221531 89503 303884841 874840 a-Alanine, conf. II
501549.8820 3.2603 -4.1154 3 324.4608333 89503 303552629 542430 a-Alanine, conf. II
501575.1994 44.8324 -3.9765 3 1001.9900537 89503 303896128 886127 a-Alanine, conf. II
501575.1994 44.8324 -3.9765 3 1001.9900537 89503 303896129 886128 a-Alanine, conf. II
501579.2470 7.1459 -4.2390 3 467.6267393 89503 303653333 643232 a-Alanine, conf. II
501579.6639 7.1473 -4.2390 3 467.6266393 89503 303653332 643233 a-Alanine, conf. II
501601.9309 14.2422 -4.1006 3 335.2806345 89503 303572236 562037 a-Alanine, conf. II
501623.7092 7.8051 -4.2935 3 476.1265399 89503 303663235 653134 a-Alanine, conf. II
501633.9422 7.8387 -4.2935 3 476.1262399 89503 303663234 653135 a-Alanine, conf. II
501654.9320120.8897 -3.4633 3 908.2677627 89503 303A4 896 A3 895 a-Alanine, conf. II
501654.9320120.8897 -3.4633 3 908.2677627 89503 303A4 996 A3 995 a-Alanine, conf. II
501666.6159 5.9997 -4.2129 3 291.2522327 89503 303541737 531538 a-Alanine, conf. II
501696.2364 5.9772 -4.2128 3 291.2522327 89503 303541837 531638 a-Alanine, conf. II
501762.6008 45.0989 -3.4608 3 888.6506597 89503 303991584 981583 a-Alanine, conf. II
501762.6008 45.0989 -3.4608 3 888.6506597 89503 303991684 981683 a-Alanine, conf. II
501764.5447 48.7254 -3.4591 3 829.2280525 89503 303874147 864146 a-Alanine, conf. II
501764.9789 48.7334 -3.4591 3 829.2280525 89503 303874146 864145 a-Alanine, conf. II
501796.0008 27.2907 -3.4059 3 833.1308549 89503 303912765 902764 a-Alanine, conf. II
501796.0018 27.2907 -3.4059 3 833.1308549 89503 303912665 902664 a-Alanine, conf. II
501845.6516 7.4227 -3.9270 3 422.1984339 89503 303564412 554313 a-Alanine, conf. II
501845.6516 7.4227 -3.9270 3 422.1984339 89503 303564413 554312 a-Alanine, conf. II
501869.9527 44.8919 -3.9459 3 993.4653537 89503 303896029 886028 a-Alanine, conf. II
501869.9527 44.8919 -3.9459 3 993.4653537 89503 303896030 886029 a-Alanine, conf. II
501873.7827 32.2717 -3.4358 3 858.1533567 89503 303942272 932271 a-Alanine, conf. II
501873.7827 32.2717 -3.4358 3 858.1533567 89503 303942372 932371 a-Alanine, conf. II
502087.4958209.1500 -3.4588 3 917.0641645 89503 303A7 4A3 A6 4A2 a-Alanine, conf. II
502087.4958209.1500 -3.4588 3 917.0641645 89503 303A7 5A3 A6 5A2 a-Alanine, conf. II
502102.2398 45.6313 -3.5976 3 880.5076531 89503 303884741 874740 a-Alanine, conf. II
502102.2398 45.6313 -3.5976 3 880.5076531 89503 303884742 874741 a-Alanine, conf. II
502182.1067 44.9710 -3.9162 3 985.0960537 89503 303895930 885929 a-Alanine, conf. II
502182.1067 44.9710 -3.9162 3 985.0960537 89503 303895931 885930 a-Alanine, conf. II
502204.2151 5.0815 -4.0354 3 437.0437363 89503 303603921 593822 a-Alanine, conf. II
502204.2151 5.0815 -4.0354 3 437.0437363 89503 303603922 593821 a-Alanine, conf. II
502231.8497 54.6464 -3.3681 3 793.6310519 89503 303863750 853749 a-Alanine, conf. II
502367.3557 11.0273 -3.8631 3 417.4494321 89503 3035348 5 5247 6 a-Alanine, conf. II
502367.3557 11.0273 -3.8631 3 417.4494321 89503 3035348 6 5247 5 a-Alanine, conf. II
502369.8283 78.0698 -3.4680 3 903.5523615 89503 303A21191 A11190 a-Alanine, conf. II
502369.8283 78.0698 -3.4680 3 903.5523615 89503 303A21291 A11290 a-Alanine, conf. II
502397.7289336.4470 -3.4477 3 922.3698663 89503 303B0 0B0 A9 0A9 a-Alanine, conf. II
502397.7289336.4470 -4.5423 3 922.3698663 89503 303B0 0B0 A9 1A9 a-Alanine, conf. II
502397.7289336.4470 -4.5423 3 922.3698663 89503 303B0 1B0 A9 0A9 a-Alanine, conf. II
502397.7289336.4470 -3.4477 3 922.3698663 89503 303B0 1B0 A9 1A9 a-Alanine, conf. II
502407.8620 36.5264 -3.4562 3 879.3240585 89503 303971879 961878 a-Alanine, conf. II
502407.8620 36.5264 -3.4562 3 879.3240585 89503 303971979 961978 a-Alanine, conf. II
502513.1058 45.0717 -3.8872 3 976.8832537 89503 303895831 885830 a-Alanine, conf. II
502513.1058 45.0717 -3.8872 3 976.8832537 89503 303895832 885831 a-Alanine, conf. II
502691.9224 60.4247 -3.3673 3 793.6461519 89503 303863749 853748 a-Alanine, conf. II
502706.2351 14.3133 -4.5444 3 521.8225423 89503 303703041 692940 a-Alanine, conf. II
502724.8784 3.0703 -4.1137 3 324.4197333 89503 303552630 542431 a-Alanine, conf. II
502846.1326 29.1685 -3.4200 3 843.9399555 89503 303922667 912666 a-Alanine, conf. II
502846.1327 29.1685 -3.4200 3 843.9399555 89503 303922567 912566 a-Alanine, conf. II
502852.2100 46.3068 -3.5760 3 874.2723531 89503 303884642 874641 a-Alanine, conf. II
502852.2100 46.3068 -3.5760 3 874.2723531 89503 303884643 874642 a-Alanine, conf. II
502864.5689 45.1963 -3.8590 3 968.8277537 89503 303895732 885731 a-Alanine, conf. II
502864.5689 45.1963 -3.8590 3 968.8277537 89503 303895733 885732 a-Alanine, conf. II
502886.9547141.5832 -3.4685 3 914.9637633 89503 303A5 798 A4 797 a-Alanine, conf. II
502886.9547141.5832 -3.4685 3 914.9637633 89503 303A5 898 A4 897 a-Alanine, conf. II
502984.0390 10.8728 -4.0841 3 369.2073357 89503 303592633 582434 a-Alanine, conf. II
503037.1205 51.5342 -3.4688 3 896.8765603 89503 303A01486 991485 a-Alanine, conf. II
503037.1205 51.5342 -3.4688 3 896.8765603 89503 303A01586 991585 a-Alanine, conf. II
503075.3982 6.6849 -3.9491 3 426.7109345 89503 303574314 564215 a-Alanine, conf. II
503075.3982 6.6849 -3.9491 3 426.7109345 89503 303574315 564214 a-Alanine, conf. II
503103.8840 33.6165 -3.4472 3 867.9666573 89503 303952174 942173 a-Alanine, conf. II
503103.8840 33.6165 -3.4472 3 867.9666573 89503 303952274 942273 a-Alanine, conf. II
503149.8621 2.9049 -4.1763 3 296.5605315 89503 303522725 512526 a-Alanine, conf. II
503162.7316 2.9038 -4.1762 3 296.5601315 89503 303522726 512527 a-Alanine, conf. II
503163.0348 50.7679 -3.4400 3 824.1495525 89503 303874048 864047 a-Alanine, conf. II
503166.5458 50.8277 -3.4400 3 824.1496525 89503 303874047 864046 a-Alanine, conf. II
503185.9282 5.2927 -4.4592 3 238.6043267 89503 303443113 432914 a-Alanine, conf. II
503185.9282 5.2927 -4.4592 3 238.6043267 89503 303443114 432915 a-Alanine, conf. II
503238.3187 45.3474 -3.8315 3 960.9308537 89503 303895633 885632 a-Alanine, conf. II
503238.3187 45.3474 -3.8315 3 960.9308537 89503 303895634 885633 a-Alanine, conf. II
503245.0714 22.7559 -3.3199 3 778.3699519 89503 303863354 853353 a-Alanine, conf. II
503262.0789 5.1343 -4.0652 3 443.2044369 89503 303613823 603724 a-Alanine, conf. II
503262.0789 5.1343 -4.0652 3 443.2044369 89503 303613824 603723 a-Alanine, conf. II
503286.6148240.0177 -3.4624 3 922.8923651 89503 303A8 3A5 A7 3A4 a-Alanine, conf. II
503286.6148240.0177 -3.4624 3 922.8923651 89503 303A8 4A5 A7 4A4 a-Alanine, conf. II
503378.0431 7.0286 -4.0644 3 354.6707351 89503 303582534 572335 a-Alanine, conf. II
503404.0887 90.5796 -3.2685 3 749.3460507 89503 303843450 833449 a-Alanine, conf. II
503473.5093 21.5503 -3.3615 3 803.6408531 89503 303883158 873157 a-Alanine, conf. II
503514.6673 18.0258 -3.2526 3 744.3021507 89503 303843252 833251 a-Alanine, conf. II
503529.0059 20.3022 -3.3409 3 791.2076525 89503 303873256 863255 a-Alanine, conf. II
503534.4539 21.6100 -3.3614 3 803.6368531 89503 303883058 873057 a-Alanine, conf. II
503623.5369 92.3092 -3.4744 3 910.9081621 89503 303A31093 A21092 a-Alanine, conf. II
503623.5369 92.3092 -3.4744 3 910.9081621 89503 303A31193 A21192 a-Alanine, conf. II
503636.4173 45.5281 -3.8048 3 953.1936537 89503 303895534 885533 a-Alanine, conf. II
503636.4173 45.5281 -3.8048 3 953.1936537 89503 303895535 885534 a-Alanine, conf. II
503643.6484 9.9800 -3.8811 3 420.7477327 89503 3035447 7 5346 8 a-Alanine, conf. II
503643.6484 9.9800 -3.8811 3 420.7477327 89503 3035447 8 5346 7 a-Alanine, conf. II
503675.5305 47.1135 -3.5550 3 868.2202531 89503 303884544 874543 a-Alanine, conf. II
503675.5306 47.1135 -3.5550 3 868.2202531 89503 303884543 874542 a-Alanine, conf. II
503682.2879 39.1109 -3.4657 3 888.2230591 89503 303981781 971780 a-Alanine, conf. II
503682.2879 39.1109 -3.4657 3 888.2230591 89503 303981881 971880 a-Alanine, conf. II
503688.1101 3.9214 -4.1068 3 335.2547339 89503 303562630 552431 a-Alanine, conf. II
503788.7220 23.1675 -3.3802 3 815.6795537 89503 303893060 883059 a-Alanine, conf. II
503792.8834 23.1760 -3.3801 3 815.6792537 89503 303892960 882959 a-Alanine, conf. II
503967.2916 30.9288 -3.4333 3 854.4969561 89503 303932469 922468 a-Alanine, conf. II
503967.2916 30.9288 -3.4333 3 854.4969561 89503 303932569 922568 a-Alanine, conf. II
504061.2111 45.7423 -3.7787 3 945.6176537 89503 303895435 885434 a-Alanine, conf. II
504061.2111 45.7423 -3.7787 3 945.6176537 89503 303895436 885435 a-Alanine, conf. II
504091.2254 14.3015 -3.8267 3 419.0007309 89503 3035151 0 5050 1 a-Alanine, conf. II
504091.2254 14.3015 -3.8267 3 419.0007309 89503 3035151 1 5050 0 a-Alanine, conf. II
504109.9981164.9114 -3.4734 3 921.4532639 89503 303A6 6A0 A5 699 a-Alanine, conf. II
504109.9981164.9114 -3.4734 3 921.4532639 89503 303A6 7A0 A5 799 a-Alanine, conf. II
504211.0451 20.6731 -3.3395 3 791.1599525 89503 303873156 863155 a-Alanine, conf. II
504245.7303 5.3924 -4.0975 3 449.7558375 89503 303623725 613626 a-Alanine, conf. II
504245.7303 5.3924 -4.0975 3 449.7558375 89503 303623726 613625 a-Alanine, conf. II
504282.4182 6.0731 -3.9725 3 431.5843351 89503 303584216 574117 a-Alanine, conf. II
504282.4182 6.0731 -3.9725 3 431.5843351 89503 303584217 574116 a-Alanine, conf. II
504284.8345 26.3190 -3.9849 3 430.7237387 89503 303642638 632439 a-Alanine, conf. II
504307.1111 59.8915 -3.4766 3 904.8946609 89503 303A11388 A01387 a-Alanine, conf. II
504307.1111 59.8915 -3.4766 3 904.8946609 89503 303A11488 A01487 a-Alanine, conf. II
504347.3939 47.9144 -4.5229 3 1153.9226543 89503 303907515 897514 a-Alanine, conf. II
504347.3939 47.9144 -4.5229 3 1153.9226543 89503 303907516 897515 a-Alanine, conf. II
504352.6516 34.9739 -3.4582 3 877.5567579 89503 303962076 952075 a-Alanine, conf. II
504352.6516 34.9739 -3.4582 3 877.5567579 89503 303962176 952175 a-Alanine, conf. II
504372.6984 42.9277 -4.0236 3 415.8569381 89503 303632538 622339 a-Alanine, conf. II
504381.2210 4.4130 -4.3710 3 251.5214279 89503 303463016 452817 a-Alanine, conf. II
504381.2210 4.4130 -4.3710 3 251.5214279 89503 303463017 452818 a-Alanine, conf. II
504409.1838 54.6597 -3.3503 3 789.5197519 89503 303863651 853650 a-Alanine, conf. II
504419.8505 25.0035 -3.3973 3 827.3739543 89503 303902962 892961 a-Alanine, conf. II
504420.0805 25.0042 -3.3973 3 827.3739543 89503 303902862 892861 a-Alanine, conf. II
504476.9219274.0510 -3.4657 3 928.5128657 89503 303A9 2A7 A8 2A6 a-Alanine, conf. II
504476.9219274.0510 -3.4657 3 928.5128657 89503 303A9 3A7 A8 3A6 a-Alanine, conf. II
504497.2255 47.8097 -4.4751 3 1143.2912543 89503 303907416 897415 a-Alanine, conf. II
504497.2255 47.8097 -4.4751 3 1143.2912543 89503 303907417 897416 a-Alanine, conf. II
504515.3860 45.9945 -3.7533 3 938.2044537 89503 303895336 885335 a-Alanine, conf. II
504515.3860 45.9945 -3.7533 3 938.2044537 89503 303895337 885336 a-Alanine, conf. II
504554.9538 89.1838 -3.3086 3 769.2296513 89503 303853550 843549 a-Alanine, conf. II
504585.0687 48.0862 -3.5345 3 862.3566531 89503 303884445 874444 a-Alanine, conf. II
504585.0699 48.0862 -3.5345 3 862.3566531 89503 303884444 874443 a-Alanine, conf. II
504654.2442 47.7146 -4.4293 3 1132.8080543 89503 303907317 897316 a-Alanine, conf. II
504654.2442 47.7146 -4.4293 3 1132.8080543 89503 303907318 897317 a-Alanine, conf. II
504659.0721 7.8448 -4.0932 3 357.6138351 89503 303582632 572433 a-Alanine, conf. II
504680.4101 2.9621 -4.2912 3 274.4179321 89503 303531538 521339 a-Alanine, conf. II
504681.1049 2.9617 -4.2912 3 274.4179321 89503 303531638 521439 a-Alanine, conf. II
504771.5566 3.1511 -4.2329 3 280.4487303 89503 303502822 492623 a-Alanine, conf. II
504771.7204 3.1511 -4.2329 3 280.4487303 89503 303502823 492624 a-Alanine, conf. II
504785.4387 15.4975 -4.0827 3 349.1974351 89503 303582336 572137 a-Alanine, conf. II
504794.4270 53.4014 -3.4212 3 819.3030525 89503 303873949 863948 a-Alanine, conf. II
504818.8685 47.6291 -4.3853 3 1122.4733543 89503 303907218 897217 a-Alanine, conf. II
504818.8685 47.6291 -4.3853 3 1122.4733543 89503 303907219 897218 a-Alanine, conf. II
504819.8106 53.7991 -3.4212 3 819.3037525 89503 303873948 863947 a-Alanine, conf. II
504837.0874 5.3659 -4.0997 3 346.3004345 89503 303572631 562432 a-Alanine, conf. II
504869.1939108.9011 -3.4805 3 918.0577627 89503 303A4 995 A3 994 a-Alanine, conf. II
504869.1939108.9011 -3.4805 3 918.0577627 89503 303A41095 A31094 a-Alanine, conf. II
504910.4699 9.0005 -3.9001 3 424.3952333 89503 3035546 9 544510 a-Alanine, conf. II
504910.4699 9.0005 -3.9001 3 424.3952333 89503 303554610 5445 9 a-Alanine, conf. II
504957.8995 42.7917 -3.4747 3 896.9103597 89503 303991683 981682 a-Alanine, conf. II
504957.8995 42.7917 -3.4747 3 896.9103597 89503 303991783 981782 a-Alanine, conf. II
504991.5505 47.5538 -4.3430 3 1112.2876543 89503 303907119 897118 a-Alanine, conf. II
504991.5505 47.5538 -4.3430 3 1112.2876543 89503 303907120 897119 a-Alanine, conf. II
505002.0375 46.2902 -3.7285 3 930.9555537 89503 303895237 885236 a-Alanine, conf. II
505002.0375 46.2902 -3.7285 3 930.9555537 89503 303895238 885237 a-Alanine, conf. II
505005.6666 3.6765 -4.2969 3 265.4560291 89503 303482919 472720 a-Alanine, conf. II
505005.6678 3.6765 -4.2969 3 265.4560291 89503 303482920 472721 a-Alanine, conf. II
505130.9039 5.8280 -4.1326 3 456.7088381 89503 303633627 623528 a-Alanine, conf. II
505130.9039 5.8280 -4.1326 3 456.7088381 89503 303633628 623527 a-Alanine, conf. II
505138.6344 32.5380 -3.4460 3 864.8122567 89503 303942371 932370 a-Alanine, conf. II
505138.6344 32.5380 -3.4460 3 864.8122567 89503 303942471 932470 a-Alanine, conf. II
505167.0315 8.0621 -4.1845 3 304.6877333 89503 303551837 541638 a-Alanine, conf. II
505172.7798 47.4890 -4.3023 3 1102.2512543 89503 303907020 897019 a-Alanine, conf. II
505172.7798 47.4890 -4.3023 3 1102.2512543 89503 303907021 897020 a-Alanine, conf. II
505256.9499 26.9722 -3.4132 3 838.7618549 89503 303912864 902863 a-Alanine, conf. II
505256.9605 26.9723 -3.4132 3 838.7618549 89503 303912764 902763 a-Alanine, conf. II
505277.8886 7.9645 -4.1843 3 304.6878333 89503 303551937 541738 a-Alanine, conf. II
505324.0202191.0152 -3.4779 3 927.7361645 89503 303A7 5A2 A6 5A1 a-Alanine, conf. II
505324.0202191.0152 -3.4779 3 927.7361645 89503 303A7 6A2 A6 6A1 a-Alanine, conf. II
505363.0871 47.4352 -4.2629 3 1092.3645543 89503 303906921 896920 a-Alanine, conf. II
505363.0871 47.4352 -4.2629 3 1092.3645543 89503 303906922 896921 a-Alanine, conf. II
505382.3536 13.0842 -3.8424 3 421.4570315 89503 3035250 2 5149 3 a-Alanine, conf. II
505382.3536 13.0842 -3.8424 3 421.4570315 89503 3035250 3 5149 2 a-Alanine, conf. II
505460.3861 5.6183 -3.9975 3 436.8230357 89503 303594118 584019 a-Alanine, conf. II
505460.3861 5.6183 -3.9975 3 436.8230357 89503 303594119 584018 a-Alanine, conf. II
505524.7605 46.6360 -3.7044 3 923.8730537 89503 303895138 885137 a-Alanine, conf. II
505524.7605 46.6360 -3.7044 3 923.8730537 89503 303895139 885138 a-Alanine, conf. II
505563.0493 47.3928 -4.2248 3 1082.6279543 89503 303906822 896821 a-Alanine, conf. II
505563.0493 47.3928 -4.2248 3 1082.6279543 89503 303906823 896822 a-Alanine, conf. II
505571.3190 70.3391 -3.4839 3 912.7054615 89503 303A21290 A11289 a-Alanine, conf. II
505571.3190 70.3391 -3.4839 3 912.7054615 89503 303A21390 A11389 a-Alanine, conf. II
505597.5700 49.2742 -3.5144 3 856.6876531 89503 303884346 874345 a-Alanine, conf. II
505597.5825 49.2745 -3.5144 3 856.6876531 89503 303884345 874344 a-Alanine, conf. II
505613.7133 36.5283 -3.4687 3 886.9276585 89503 303971978 961977 a-Alanine, conf. II
505613.7133 36.5283 -3.4687 3 886.9276585 89503 303972078 962077 a-Alanine, conf. II
505639.4419 8.2666 -4.3920 3 498.1903411 89503 303683138 673037 a-Alanine, conf. II
505658.7115311.4250 -3.4686 3 933.9249663 89503 303B0 1A9 A9 1A8 a-Alanine, conf. II
505658.7115311.4250 -3.4686 3 933.9249663 89503 303B0 2A9 A9 2A8 a-Alanine, conf. II
505705.1462 33.8268 -3.3245 3 782.0206519 89503 303863453 853452 a-Alanine, conf. II
505773.2942 47.3625 -4.1879 3 1073.0420543 89503 303906723 896722 a-Alanine, conf. II
505773.2942 47.3625 -4.1879 3 1073.0420543 89503 303906724 896723 a-Alanine, conf. II
505875.3555 24.1744 -3.2811 3 761.0976513 89503 303853253 843252 a-Alanine, conf. II
505882.9578 6.4032 -4.1712 3 464.0773387 89503 303643530 633429 a-Alanine, conf. II
505882.9588 6.4032 -4.1712 3 464.0773387 89503 303643529 633430 a-Alanine, conf. II
505944.9661 47.5348 -3.3349 3 785.6791519 89503 303863552 853551 a-Alanine, conf. II
505994.5071 47.3449 -4.1522 3 1063.6072543 89503 303906624 896623 a-Alanine, conf. II
505994.5071 47.3449 -4.1522 3 1063.6072543 89503 303906625 896624 a-Alanine, conf. II
506060.8817 9.5592 -4.3913 3 498.1796411 89503 303683137 673038 a-Alanine, conf. II
506065.5013 3.2622 -4.1037 3 335.1712339 89503 303562631 552432 a-Alanine, conf. II
506087.7665 47.0405 -3.6808 3 916.9591537 89503 303895039 885038 a-Alanine, conf. II
506087.7665 47.0405 -3.6808 3 916.9591537 89503 303895040 885039 a-Alanine, conf. II
506106.3948127.9556 -3.4863 3 925.0011633 89503 303A5 897 A4 896 a-Alanine, conf. II
506106.3948127.9556 -3.4863 3 925.0011633 89503 303A5 997 A4 996 a-Alanine, conf. II
506109.1152 1.2226 -4.3853 3 257.5359315 89503 303521339 511140 a-Alanine, conf. II
506109.1257 1.2226 -4.3853 3 257.5359315 89503 303521439 511240 a-Alanine, conf. II
506165.1797 8.0993 -3.9203 3 428.3945339 89503 303564511 554412 a-Alanine, conf. II
506165.1797 8.0993 -3.9203 3 428.3945339 89503 303564512 554411 a-Alanine, conf. II
506208.3958 16.0191 -4.4872 3 508.0610417 89503 303693039 682940 a-Alanine, conf. II
506227.4370 47.3409 -4.1175 3 1054.3241543 89503 303906525 896524 a-Alanine, conf. II
506227.4370 47.3409 -4.1175 3 1054.3241543 89503 303906526 896525 a-Alanine, conf. II
506229.9956 28.9641 -3.4281 3 849.8689555 89503 303922766 912765 a-Alanine, conf. II
506229.9960 28.9641 -3.4281 3 849.8689555 89503 303922666 912665 a-Alanine, conf. II
506232.2402 47.9324 -3.4834 3 905.3876603 89503 303A01585 991584 a-Alanine, conf. II
506232.2402 47.9324 -3.4834 3 905.3876603 89503 303A01685 991684 a-Alanine, conf. II
506345.5376 34.0043 -3.4581 3 874.8940573 89503 303952273 942272 a-Alanine, conf. II
506345.5376 34.0043 -3.4581 3 874.8940573 89503 303952373 942372 a-Alanine, conf. II
506450.2761 7.0756 -4.2142 3 471.8792393 89503 303653432 643331 a-Alanine, conf. II
506450.3135 7.0757 -4.2142 3 471.8792393 89503 303653431 643332 a-Alanine, conf. II
506469.1927 2.2279 -4.5012 3 240.6419309 89503 303511140 50 941 a-Alanine, conf. II
506469.1928 2.2279 -4.5012 3 240.6419309 89503 303511240 501041 a-Alanine, conf. II
506472.9054 47.3513 -4.0839 3 1045.1932543 89503 303906426 896425 a-Alanine, conf. II
506472.9054 47.3513 -4.0839 3 1045.1932543 89503 303906427 896426 a-Alanine, conf. II
506529.0835220.0460 -3.4820 3 933.8119651 89503 303A8 4A4 A7 4A3 a-Alanine, conf. II
506529.0835220.0460 -3.4820 3 933.8119651 89503 303A8 5A4 A7 5A3 a-Alanine, conf. II
506601.1149 5.3526 -4.0241 3 442.4325363 89503 303604020 593921 a-Alanine, conf. II
506601.1149 5.3526 -4.0241 3 442.4325363 89503 303604021 593920 a-Alanine, conf. II
506606.7475 78.1464 -3.3464 3 789.6044519 89503 303863650 853649 a-Alanine, conf. II
506633.0039 8.4311 -4.3206 3 488.8897405 89503 303673236 663135 a-Alanine, conf. II
506657.6204 8.5151 -4.3206 3 488.8890405 89503 303673235 663136 a-Alanine, conf. II
506668.4707 11.9229 -3.8589 3 424.2572321 89503 3035349 4 5248 5 a-Alanine, conf. II
506668.4707 11.9229 -3.8589 3 424.2572321 89503 3035349 5 5248 4 a-Alanine, conf. II
506696.0377 47.5140 -3.6578 3 910.2163537 89503 303894940 884939 a-Alanine, conf. II
506696.0377 47.5140 -3.6578 3 910.2163537 89503 303894941 884940 a-Alanine, conf. II
506714.0457 56.5242 -3.4027 3 814.7071525 89503 303873850 863849 a-Alanine, conf. II
506731.8151 47.3772 -4.0512 3 1036.2152543 89503 303906327 896326 a-Alanine, conf. II
506731.8151 47.3772 -4.0512 3 1036.2152543 89503 303906328 896327 a-Alanine, conf. II
506735.4811 50.7496 -3.4948 3 851.2205531 89503 303884247 874246 a-Alanine, conf. II
506735.5991 50.7520 -3.4948 3 851.2205531 89503 303884246 874245 a-Alanine, conf. II
506750.8106 7.7923 -4.2632 3 480.1385399 89503 303663334 653233 a-Alanine, conf. II
506751.9001 7.7962 -4.2632 3 480.1385399 89503 303663333 653234 a-Alanine, conf. II
506828.7772 83.0018 -3.4909 3 920.3096621 89503 303A31192 A21191 a-Alanine, conf. II
506828.7772 83.0018 -3.4909 3 920.3096621 89503 303A31292 A21291 a-Alanine, conf. II
506832.3513352.3228 -3.4712 3 939.1280669 89503 303B1 0B1 B0 0B0 a-Alanine, conf. II
506832.3513352.3228 -3.4712 3 939.1280669 89503 303B1 1B1 B0 1B0 a-Alanine, conf. II
506875.4059 58.8238 -3.4024 3 814.7120525 89503 303873849 863848 a-Alanine, conf. II
506882.1909 38.5463 -3.4787 3 896.0826591 89503 303981880 971879 a-Alanine, conf. II
506882.1909 38.5463 -3.4787 3 896.0826591 89503 303981980 971979 a-Alanine, conf. II
506916.6963 6.1401 -4.5304 3 234.6189261 89503 303433211 423012 a-Alanine, conf. II
506916.6963 6.1401 -4.5304 3 234.6189261 89503 303433212 423013 a-Alanine, conf. II
507005.1614 47.4197 -4.0194 3 1027.3908543 89503 303906228 896227 a-Alanine, conf. II
507005.1614 47.4197 -4.0194 3 1027.3908543 89503 303906229 896228 a-Alanine, conf. II
507242.6120 2.9852 -4.1633 3 306.6157321 89503 303532726 522527 a-Alanine, conf. II
507274.5207 2.9838 -4.1632 3 306.6146321 89503 303532727 522528 a-Alanine, conf. II
507294.0446 47.4803 -3.9885 3 1018.7208543 89503 303906129 896128 a-Alanine, conf. II
507294.0446 47.4803 -3.9885 3 1018.7208543 89503 303906130 896129 a-Alanine, conf. II
507296.0435 30.8865 -3.4422 3 860.7131561 89503 303932668 922667 a-Alanine, conf. II
507296.0436 30.8865 -3.4422 3 860.7131561 89503 303932568 922567 a-Alanine, conf. II
507334.8847149.5934 -3.4917 3 931.7382639 89503 303A6 799 A5 798 a-Alanine, conf. II
507334.8847149.5934 -3.4917 3 931.7382639 89503 303A6 899 A5 898 a-Alanine, conf. II
507355.5351 48.0698 -3.6355 3 903.6475537 89503 303894841 884840 a-Alanine, conf. II
507355.5351 48.0698 -3.6355 3 903.6475537 89503 303894842 884841 a-Alanine, conf. II
507378.4514 27.1599 -4.1043 3 360.3326357 89503 303592237 582038 a-Alanine, conf. II
507404.4474 7.2920 -3.9416 3 432.7488345 89503 303574413 564314 a-Alanine, conf. II
507404.4474 7.2920 -3.9416 3 432.7488345 89503 303574414 564313 a-Alanine, conf. II
507503.3799 54.8415 -3.4916 3 913.6560609 89503 303A11487 A01486 a-Alanine, conf. II
507503.3799 54.8415 -3.4916 3 913.6560609 89503 303A11587 A01586 a-Alanine, conf. II
507577.4068 35.3869 -3.4697 3 884.7483579 89503 303962175 952174 a-Alanine, conf. II
507577.4068 35.3869 -3.4697 3 884.7483579 89503 303962275 952274 a-Alanine, conf. II
507599.6855 47.5605 -3.9584 3 1010.2059543 89503 303906030 896029 a-Alanine, conf. II
507599.6855 47.5605 -3.9584 3 1010.2059543 89503 303906031 896030 a-Alanine, conf. II
507683.3390 22.0306 -3.3422 3 795.1563525 89503 303873355 863354 a-Alanine, conf. II
507687.6295 21.4742 -3.3638 3 808.0035531 89503 303883257 873256 a-Alanine, conf. II
507693.8792 5.2995 -4.0526 3 448.4193369 89503 303613922 603823 a-Alanine, conf. II
507693.8792 5.2995 -4.0526 3 448.4193369 89503 303613923 603822 a-Alanine, conf. II
507706.6355 22.9247 -3.3842 3 820.4349537 89503 303893159 883158 a-Alanine, conf. II
507725.3446252.1646 -3.4858 3 939.6802657 89503 303A9 3A6 A8 3A5 a-Alanine, conf. II
507725.3446252.1646 -3.4858 3 939.6802657 89503 303A9 4A6 A8 4A5 a-Alanine, conf. II
507736.7445 22.9631 -3.3841 3 820.4329537 89503 303893059 883058 a-Alanine, conf. II
507923.4432 47.6622 -3.9291 3 1001.8470543 89503 303905931 895930 a-Alanine, conf. II
507923.4432 47.6622 -3.9291 3 1001.8470543 89503 303905932 895931 a-Alanine, conf. II
507948.1234 10.8212 -3.8763 3 427.4031327 89503 3035448 6 5347 7 a-Alanine, conf. II
507948.1234 10.8212 -3.8763 3 427.4031327 89503 3035448 7 5347 6 a-Alanine, conf. II
508029.5431 10.6670 -4.1595 3 318.3214339 89503 303561937 551738 a-Alanine, conf. II
508029.8740 52.6198 -3.4755 3 845.9650531 89503 303884148 874147 a-Alanine, conf. II
508030.8850 52.6388 -3.4755 3 845.9651531 89503 303884147 874146 a-Alanine, conf. II
508052.2583 21.6791 -3.3631 3 807.9786531 89503 303883157 873156 a-Alanine, conf. II
508073.4845 48.7251 -3.6136 3 897.2559537 89503 303894742 884741 a-Alanine, conf. II
508073.4845 48.7251 -3.6136 3 897.2559537 89503 303894743 884742 a-Alanine, conf. II
508078.7559 97.9860 -3.4975 3 927.7072627 89503 303A41094 A31093 a-Alanine, conf. II
508078.7559 97.9860 -3.4975 3 927.7072627 89503 303A41194 A31193 a-Alanine, conf. II
508110.3829 24.6588 -3.4027 3 832.4841543 89503 303903061 893060 a-Alanine, conf. II
508112.3246 24.6635 -3.4027 3 832.4840543 89503 303902961 892960 a-Alanine, conf. II
508147.9129 26.0366 -3.3090 3 777.9718519 89503 303863254 853253 a-Alanine, conf. II
508154.3052 41.3683 -3.4883 3 905.0240597 89503 303991782 981781 a-Alanine, conf. II
508154.3052 41.3683 -3.4883 3 905.0240597 89503 303991882 981881 a-Alanine, conf. II
508185.6892 52.4555 -3.2456 3 746.7059507 89503 303843351 833350 a-Alanine, conf. II
508266.8369 47.7875 -3.9005 3 993.6452543 89503 303905832 895831 a-Alanine, conf. II
508266.8369 47.7875 -3.9005 3 993.6452543 89503 303905833 895832 a-Alanine, conf. II
508405.4835 5.1655 -4.4299 3 246.9489273 89503 303453114 442915 a-Alanine, conf. II
508405.4835 5.1655 -4.4299 3 246.9489273 89503 303453115 442916 a-Alanine, conf. II
508412.7334 10.2884 -4.1589 3 318.3218339 89503 303562037 551838 a-Alanine, conf. II
508427.2747 32.6774 -3.4557 3 871.3074567 89503 303942470 932469 a-Alanine, conf. II
508427.2747 32.6774 -3.4557 3 871.3074567 89503 303942570 932569 a-Alanine, conf. II
508554.5391173.9473 -3.4967 3 938.2685645 89503 303A7 6A1 A6 6A0 a-Alanine, conf. II
508554.5391173.9473 -3.4967 3 938.2685645 89503 303A7 7A1 A6 7A0 a-Alanine, conf. II
508624.0560 6.6006 -3.9642 3 437.4615351 89503 303584315 574216 a-Alanine, conf. II
508624.0560 6.6006 -3.9642 3 437.4615351 89503 303584316 574215 a-Alanine, conf. II
508631.5718 47.9392 -3.8727 3 985.6015543 89503 303905733 895732 a-Alanine, conf. II
508631.5718 47.9392 -3.8727 3 985.6015543 89503 303905734 895733 a-Alanine, conf. II
508724.4076 5.4628 -4.0832 3 454.7911375 89503 303623824 613725 a-Alanine, conf. II
508724.4076 5.4628 -4.0832 3 454.7911375 89503 303623825 613724 a-Alanine, conf. II
508769.8048 63.7504 -3.4995 3 921.7164615 89503 303A21389 A11388 a-Alanine, conf. II
508769.8048 63.7504 -3.4995 3 921.7164615 89503 303A21489 A11488 a-Alanine, conf. II
508798.1761 26.6022 -3.4198 3 844.1995549 89503 303912963 902962 a-Alanine, conf. II
508798.2785 26.6026 -3.4198 3 844.1995549 89503 303912863 902862 a-Alanine, conf. II
508826.3734 36.8102 -3.4808 3 894.3801585 89503 303972077 962076 a-Alanine, conf. II
508826.3734 36.8102 -3.4808 3 894.3801585 89503 303972177 962176 a-Alanine, conf. II
508858.7805 49.5025 -3.5923 3 891.0456537 89503 303894644 884643 a-Alanine, conf. II
508858.7806 49.5025 -3.5923 3 891.0456537 89503 303894643 884642 a-Alanine, conf. II
508894.5418 58.8258 -3.3844 3 810.3836525 89503 303873751 863750 a-Alanine, conf. II
508913.0454287.5412 -3.4893 3 945.3403663 89503 303B0 2A8 A9 2A7 a-Alanine, conf. II
508913.0454287.5412 -3.4893 3 945.3403663 89503 303B0 3A8 A9 3A7 a-Alanine, conf. II
509019.5713 48.1201 -3.8457 3 977.7170543 89503 303905634 895633 a-Alanine, conf. II
509019.5713 48.1201 -3.8457 3 977.7170543 89503 303905635 895634 a-Alanine, conf. II
509124.3621 4.4026 -4.2561 3 287.7051327 89503 303541638 531439 a-Alanine, conf. II
509127.4901 4.4004 -4.2561 3 287.7051327 89503 303541738 531539 a-Alanine, conf. II
509219.4877 9.7849 -3.8947 3 430.8969333 89503 3035547 8 5446 9 a-Alanine, conf. II
509219.4877 9.7849 -3.8947 3 430.8969333 89503 3035547 9 5446 8 a-Alanine, conf. II
509320.7235115.3968 -3.5038 3 934.8984633 89503 303A5 996 A4 995 a-Alanine, conf. II
509320.7235115.3968 -3.5038 3 934.8984633 89503 303A51096 A41095 a-Alanine, conf. II
509357.6590 3.1509 -4.2172 3 290.0517309 89503 303512823 502624 a-Alanine, conf. II
509358.1270 3.1508 -4.2172 3 290.0517309 89503 303512824 502625 a-Alanine, conf. II
509403.8059 3.5568 -4.0946 3 346.1385345 89503 303572632 562433 a-Alanine, conf. II
509426.5237 9.8606 -4.0638 3 366.0352357 89503 303592535 582336 a-Alanine, conf. II
509427.1034 45.3735 -3.4976 3 913.7539603 89503 303A01684 991683 a-Alanine, conf. II
509427.1034 45.3735 -3.4976 3 913.7539603 89503 303A01784 991783 a-Alanine, conf. II
509433.0158 48.3339 -3.8193 3 969.9931543 89503 303905535 895534 a-Alanine, conf. II
509433.0158 48.3339 -3.8193 3 969.9931543 89503 303905536 895535 a-Alanine, conf. II
509461.2466 4.3050 -4.3476 3 260.2748285 89503 303473017 462818 a-Alanine, conf. II
509461.2466 4.3050 -4.3476 3 260.2748285 89503 303473018 462819 a-Alanine, conf. II
509501.4253 15.2776 -4.0707 3 363.2912357 89503 303592436 582237 a-Alanine, conf. II
509524.4977 55.0327 -3.4566 3 840.9332531 89503 303884049 874048 a-Alanine, conf. II
509532.2984 55.1689 -3.4566 3 840.9334531 89503 303884048 874047 a-Alanine, conf. II
509604.7281 34.3108 -3.4685 3 881.6619573 89503 303952372 942371 a-Alanine, conf. II
509604.7281 34.3108 -3.4685 3 881.6619573 89503 303952472 942471 a-Alanine, conf. II
509670.3545 28.6554 -3.4357 3 855.6154555 89503 303922865 912864 a-Alanine, conf. II
509670.3591 28.6555 -3.4357 3 855.6154555 89503 303922765 912764 a-Alanine, conf. II
509673.3270 5.8241 -4.1164 3 461.5574381 89503 303633726 623627 a-Alanine, conf. II
509673.3270 5.8241 -4.1164 3 461.5574381 89503 303633727 623626 a-Alanine, conf. II
509679.7377 14.0788 -3.8393 3 428.5629315 89503 3035251 1 5150 2 a-Alanine, conf. II
509679.7377 14.0788 -3.8393 3 428.5629315 89503 3035251 2 5150 1 a-Alanine, conf. II
509722.5719 50.4325 -3.5715 3 885.0210537 89503 303894545 884544 a-Alanine, conf. II
509722.5722 50.4325 -3.5715 3 885.0210537 89503 303894544 884543 a-Alanine, conf. II
509765.3483201.1611 -3.5014 3 944.5919651 89503 303A8 5A3 A7 5A2 a-Alanine, conf. II
509765.3483201.1611 -3.5014 3 944.5919651 89503 303A8 6A3 A7 6A2 a-Alanine, conf. II
509769.1779 69.8736 -3.3829 3 810.4141525 89503 303873750 863749 a-Alanine, conf. II
509818.6346 6.0539 -3.9882 3 442.5368357 89503 303594217 584118 a-Alanine, conf. II
509818.6346 6.0539 -3.9882 3 442.5368357 89503 303594218 584117 a-Alanine, conf. II
509874.3913 48.5850 -3.7935 3 962.4313543 89503 303905436 895435 a-Alanine, conf. II
509874.3913 48.5850 -3.7935 3 962.4313543 89503 303905437 895436 a-Alanine, conf. II
509887.6437 3.6084 -4.2779 3 274.6276297 89503 303492920 482721 a-Alanine, conf. II
509887.6476 3.6084 -4.2779 3 274.6276297 89503 303492921 482722 a-Alanine, conf. II
509899.2501 14.1950 -4.1378 3 332.1467345 89503 303572037 561838 a-Alanine, conf. II
509963.0521 50.5046 -4.5226 3 1170.7458549 89503 303917516 907515 a-Alanine, conf. II
509963.0521 50.5046 -4.5226 3 1170.7458549 89503 303917517 907516 a-Alanine, conf. II
510027.7796 8.0958 -4.4267 3 511.4523417 89503 303693139 683038 a-Alanine, conf. II
510030.3368 74.8235 -3.5070 3 929.5695621 89503 303A31291 A21290 a-Alanine, conf. II
510030.3368 74.8235 -3.5070 3 929.5695621 89503 303A31391 A21390 a-Alanine, conf. II
510062.3423 19.4236 -4.1198 3 346.1549351 89503 303582137 571938 a-Alanine, conf. II
510086.4791 38.4762 -3.4914 3 903.7931591 89503 303981979 971978 a-Alanine, conf. II
510086.4791 38.4762 -3.4914 3 903.7931591 89503 303982079 972078 a-Alanine, conf. II
510092.5064326.3543 -3.4924 3 950.7918669 89503 303B1 1B0 B0 1A9 a-Alanine, conf. II
510092.5064326.3543 -3.4924 3 950.7918669 89503 303B1 2B0 B0 2A9 a-Alanine, conf. II
510118.2348 50.4096 -4.4765 3 1160.1194549 89503 303917417 907416 a-Alanine, conf. II
510118.2348 50.4096 -4.4765 3 1160.1194549 89503 303917418 907417 a-Alanine, conf. II
510280.8543 50.3246 -4.4322 3 1149.6414549 89503 303917318 907317 a-Alanine, conf. II
510280.8543 50.3246 -4.4322 3 1149.6414549 89503 303917319 907318 a-Alanine, conf. II
510346.5504 48.8785 -3.7684 3 955.0332543 89503 303905337 895336 a-Alanine, conf. II
510346.5504 48.8785 -3.7684 3 955.0332543 89503 303905338 895337 a-Alanine, conf. II
510451.3457 50.2497 -4.3896 3 1139.3123549 89503 303917219 907218 a-Alanine, conf. II
510451.3457 50.2497 -4.3896 3 1139.3123549 89503 303917220 907219 a-Alanine, conf. II
510480.2757 8.8230 -3.9142 3 434.7410339 89503 303564610 554511 a-Alanine, conf. II
510480.2757 8.8230 -3.9142 3 434.7410339 89503 303564611 554510 a-Alanine, conf. II
510513.6454 6.3493 -4.1526 3 468.7298387 89503 303643629 633528 a-Alanine, conf. II
510513.6455 6.3493 -4.1526 3 468.7298387 89503 303643628 633529 a-Alanine, conf. II
510554.3176135.3471 -3.5097 3 941.8830639 89503 303A6 898 A5 897 a-Alanine, conf. II
510554.3176135.3471 -3.5097 3 941.8830639 89503 303A6 998 A5 997 a-Alanine, conf. II
510630.1791 50.1855 -4.3485 3 1129.1323549 89503 303917120 907119 a-Alanine, conf. II
510630.1791 50.1855 -4.3485 3 1129.1323549 89503 303917121 907120 a-Alanine, conf. II
510665.6337 30.7083 -3.4507 3 866.7549561 89503 303932767 922766 a-Alanine, conf. II
510665.6338 30.7083 -3.4507 3 866.7549561 89503 303932667 922666 a-Alanine, conf. II
510679.1417 51.5573 -3.5511 3 879.1878537 89503 303894446 884445 a-Alanine, conf. II
510679.1449 51.5574 -3.5511 3 879.1878537 89503 303894445 884444 a-Alanine, conf. II
510698.2678 50.9272 -3.5064 3 922.2737609 89503 303A11586 A01585 a-Alanine, conf. II
510698.2678 50.9272 -3.5064 3 922.2737609 89503 303A11686 A01685 a-Alanine, conf. II
510740.3610 24.9172 -3.3358 3 794.9218525 89503 303873255 863254 a-Alanine, conf. II
510814.9667 35.8042 -3.4808 3 891.7838579 89503 303962274 952273 a-Alanine, conf. II
510814.9667 35.8042 -3.4808 3 891.7838579 89503 303962374 952373 a-Alanine, conf. II
510817.8641 50.1323 -4.3088 3 1119.1020549 89503 303917021 907020 a-Alanine, conf. II
510817.8641 50.1323 -4.3088 3 1119.1020549 89503 303917022 907021 a-Alanine, conf. II
510838.8115 30.5349 -3.3453 3 798.8891525 89503 303873454 863453 a-Alanine, conf. II
510852.7901 49.2208 -3.7440 3 947.8006543 89503 303905238 895237 a-Alanine, conf. II
510852.7901 49.2208 -3.7440 3 947.8006543 89503 303905239 895238 a-Alanine, conf. II
510926.5234 10.8483 -4.4254 3 511.4297417 89503 303693138 683039 a-Alanine, conf. II
510963.7189 56.3963 -3.3672 3 806.3450525 89503 303873652 863651 a-Alanine, conf. II
510967.4048231.3894 -3.5057 3 950.7079657 89503 303A9 4A5 A8 4A4 a-Alanine, conf. II
510967.4048231.3894 -3.5057 3 950.7079657 89503 303A9 5A5 A8 5A4 a-Alanine, conf. II
510967.9287 12.8640 -3.8552 3 431.2124321 89503 3035350 3 5249 4 a-Alanine, conf. II
510967.9287 12.8640 -3.8552 3 431.2124321 89503 3035350 4 5249 3 a-Alanine, conf. II
510981.2898 5.6847 -4.0138 3 447.9796363 89503 303604119 594020 a-Alanine, conf. II
510981.2898 5.6847 -4.0138 3 447.9796363 89503 303604120 594019 a-Alanine, conf. II
511014.9531 50.0907 -4.2704 3 1109.2216549 89503 303916922 906921 a-Alanine, conf. II
511014.9531 50.0907 -4.2704 3 1109.2216549 89503 303916923 906922 a-Alanine, conf. II
511114.2323 12.8879 -4.1361 3 332.1484345 89503 303572137 561938 a-Alanine, conf. II
511143.6646 1.8229 -4.3412 3 270.6552321 89503 303531439 521240 a-Alanine, conf. II
511143.7212 1.8229 -4.3412 3 270.6552321 89503 303531539 521340 a-Alanine, conf. II
511152.0506 3.0888 -4.1515 3 316.8844327 89503 303542727 532528 a-Alanine, conf. II
511206.4431 6.9985 -4.1925 3 476.3234393 89503 303653531 643430 a-Alanine, conf. II
511206.4462 6.9985 -4.1925 3 476.3234393 89503 303653530 643431 a-Alanine, conf. II
511222.0471 50.0613 -4.2332 3 1099.4917549 89503 303916823 906822 a-Alanine, conf. II
511222.0471 50.0613 -4.2332 3 1099.4917549 89503 303916824 906823 a-Alanine, conf. II
511228.4221 3.0874 -4.1514 3 316.8817327 89503 303542728 532529 a-Alanine, conf. II
511264.1215368.7906 -3.4951 3 956.0341675 89503 303B2 0B2 B1 0B1 a-Alanine, conf. II
511264.1215368.7906 -3.4951 3 956.0341675 89503 303B2 1B2 B1 1B1 a-Alanine, conf. II
511276.5032 58.0952 -3.4379 3 836.1411531 89503 303883950 873949 a-Alanine, conf. II
511284.0721 88.1844 -3.5142 3 937.2156627 89503 303A41193 A31192 a-Alanine, conf. II
511284.0721 88.1844 -3.5142 3 937.2156627 89503 303A41293 A31292 a-Alanine, conf. II
511311.0961 44.4571 -4.0766 3 401.0200375 89503 303622438 612239 a-Alanine, conf. II
511330.0518 58.9522 -3.4378 3 836.1426531 89503 303883949 873948 a-Alanine, conf. II
511353.1451 40.6706 -3.5017 3 912.9903597 89503 303991881 981880 a-Alanine, conf. II
511353.1451 40.6706 -3.5017 3 912.9903597 89503 303991981 981980 a-Alanine, conf. II
511396.9510 49.6197 -3.7201 3 940.7355543 89503 303905139 895138 a-Alanine, conf. II
511396.9510 49.6197 -3.7201 3 940.7355543 89503 303905140 895139 a-Alanine, conf. II
511439.8006 50.0447 -4.1971 3 1089.9128549 89503 303916724 906723 a-Alanine, conf. II
511439.8006 50.0447 -4.1971 3 1089.9128549 89503 303916725 906724 a-Alanine, conf. II
511564.3278 9.0363 -4.3492 3 501.8667411 89503 303683237 673136 a-Alanine, conf. II
511621.9513 9.2397 -4.3491 3 501.8652411 89503 303683236 673137 a-Alanine, conf. II
511668.9283 50.0417 -4.1621 3 1080.4853549 89503 303916625 906624 a-Alanine, conf. II
511668.9283 50.0417 -4.1621 3 1080.4853549 89503 303916626 906625 a-Alanine, conf. II
511692.8847 7.7276 -4.2373 3 484.3575399 89503 303663433 653332 a-Alanine, conf. II
511692.9880 7.7280 -4.2373 3 484.3575399 89503 303663432 653333 a-Alanine, conf. II
511727.6124 7.9488 -3.9349 3 438.9382345 89503 303574512 564413 a-Alanine, conf. II
511727.6124 7.9488 -3.9349 3 438.9382345 89503 303574513 564412 a-Alanine, conf. II
511745.9030 32.6729 -3.4650 3 877.6346567 89503 303942569 932568 a-Alanine, conf. II
511745.9030 32.6729 -3.4650 3 877.6346567 89503 303942669 932668 a-Alanine, conf. II
511747.2797 52.9375 -3.5313 3 873.5525537 89503 303894347 884346 a-Alanine, conf. II
511747.3109 52.9382 -3.5313 3 873.5525537 89503 303894346 884345 a-Alanine, conf. II
511779.3212157.9607 -3.5152 3 948.6610645 89503 303A7 7A0 A6 799 a-Alanine, conf. II
511779.3212157.9607 -3.5152 3 948.6610645 89503 303A7 8A0 A6 899 a-Alanine, conf. II
511849.1686 22.7823 -3.3871 3 824.9382537 89503 303893258 883257 a-Alanine, conf. II
511876.8758 8.4732 -4.2885 3 492.8589405 89503 303673335 663234 a-Alanine, conf. II
511879.6486 8.4836 -4.2885 3 492.8589405 89503 303673334 663235 a-Alanine, conf. II
511910.2124 50.0532 -4.1282 3 1071.2100549 89503 303916526 906525 a-Alanine, conf. II
511910.2124 50.0532 -4.1282 3 1071.2100549 89503 303916527 906526 a-Alanine, conf. II
511930.0455 1.6603 -4.4448 3 253.5791315 89503 303521240 511041 a-Alanine, conf. II
511930.0461 1.6603 -4.4448 3 253.5791315 89503 303521340 511141 a-Alanine, conf. II
511951.8669 45.4325 -3.3534 3 802.5556525 89503 303873553 863552 a-Alanine, conf. II
511962.4234 24.3774 -3.4072 3 837.3701543 89503 303903160 893159 a-Alanine, conf. II
511965.9776 58.3333 -3.5148 3 930.5845615 89503 303A21488 A11487 a-Alanine, conf. II
511965.9776 58.3333 -3.5148 3 930.5845615 89503 303A21588 A11587 a-Alanine, conf. II
511967.5387 22.2115 -3.3653 3 812.0908531 89503 303883356 873355 a-Alanine, conf. II
511977.0662 24.4011 -3.4072 3 837.3692543 89503 303903060 893059 a-Alanine, conf. II
511983.5486 50.0849 -3.6968 3 933.8404543 89503 303905040 895039 a-Alanine, conf. II
511983.5486 50.0849 -3.6968 3 933.8404543 89503 303905041 895040 a-Alanine, conf. II
512039.4521 22.9127 -3.3867 3 824.9254537 89503 303893158 883157 a-Alanine, conf. II
512043.2004 88.5506 -3.2793 3 766.1378513 89503 303853451 843450 a-Alanine, conf. II
512048.1795 37.2297 -3.4925 3 901.6792585 89503 303972176 962175 a-Alanine, conf. II
512048.1795 37.2297 -3.4925 3 901.6792585 89503 303972276 962275 a-Alanine, conf. II
512103.0826 5.5227 -4.0411 3 453.7955369 89503 303614021 603922 a-Alanine, conf. II
512103.0826 5.5227 -4.0411 3 453.7955369 89503 303614022 603921 a-Alanine, conf. II
512160.8937264.7964 -3.5097 3 956.6161663 89503 303B0 3A7 A9 3A6 a-Alanine, conf. II
512160.8937264.7964 -3.5097 3 956.6161663 89503 303B0 4A7 A9 4A6 a-Alanine, conf. II
512164.5110 50.0802 -4.0951 3 1062.0873549 89503 303916427 906426 a-Alanine, conf. II
512164.5110 50.0802 -4.0951 3 1062.0873549 89503 303916428 906427 a-Alanine, conf. II
512210.4389 6.0034 -4.4962 3 242.7569267 89503 303443212 433013 a-Alanine, conf. II
512210.4389 6.0034 -4.4962 3 242.7569267 89503 303443213 433014 a-Alanine, conf. II
512250.4293 11.7078 -3.8721 3 434.2066327 89503 3035449 5 5348 6 a-Alanine, conf. II
512250.4293 11.7078 -3.8721 3 434.2066327 89503 3035449 6 5348 5 a-Alanine, conf. II
512396.0431 23.3049 -4.5336 3 521.5902423 89503 303703040 692941 a-Alanine, conf. II
512432.7683 50.1240 -4.0630 3 1053.1180549 89503 303916328 906327 a-Alanine, conf. II
512432.7683 50.1240 -4.0630 3 1053.1180549 89503 303916329 906328 a-Alanine, conf. II
512446.1904 26.2311 -3.4256 3 849.4328549 89503 303913062 903061 a-Alanine, conf. II
512447.0857 26.2336 -3.4256 3 849.4328549 89503 303912962 902961 a-Alanine, conf. II
512530.3343103.9405 -3.5210 3 944.6549633 89503 303A51095 A41094 a-Alanine, conf. II
512530.3343103.9405 -3.5210 3 944.6549633 89503 303A51195 A41194 a-Alanine, conf. II
512617.9465 50.6285 -3.6741 3 927.1179543 89503 303904941 894940 a-Alanine, conf. II
512617.9465 50.6285 -3.6741 3 927.1179543 89503 303904942 894941 a-Alanine, conf. II
512622.8138 43.7496 -3.5115 3 921.9742603 89503 303A01783 991782 a-Alanine, conf. II
512622.8138 43.7496 -3.5115 3 921.9742603 89503 303A01883 991882 a-Alanine, conf. II
512716.0261 50.1857 -4.0318 3 1044.3027549 89503 303916229 906228 a-Alanine, conf. II
512716.0261 50.1857 -4.0318 3 1044.3027549 89503 303916230 906229 a-Alanine, conf. II
512886.0855 34.4930 -3.4785 3 888.2668573 89503 303952471 942470 a-Alanine, conf. II
512886.0855 34.4930 -3.4785 3 888.2668573 89503 303952571 942570 a-Alanine, conf. II
512901.3444 4.1223 -4.0866 3 357.3181351 89503 303582633 572434 a-Alanine, conf. II
512952.4878 54.6628 -3.5118 3 868.1234537 89503 303894248 884247 a-Alanine, conf. II
512952.7693 54.6686 -3.5118 3 868.1234537 89503 303894247 884246 a-Alanine, conf. II
512957.8753 7.1816 -3.9567 3 443.4917351 89503 303584414 574315 a-Alanine, conf. II
512957.8753 7.1816 -3.9567 3 443.4917351 89503 303584415 574314 a-Alanine, conf. II
512995.6441183.3731 -3.5204 3 955.2321651 89503 303A8 6A2 A7 6A1 a-Alanine, conf. II
512995.6441183.3731 -3.5204 3 955.2321651 89503 303A8 7A2 A7 7A1 a-Alanine, conf. II
513015.4376 50.2671 -4.0014 3 1035.6423549 89503 303916130 906129 a-Alanine, conf. II
513015.4376 50.2671 -4.0014 3 1035.6423549 89503 303916131 906130 a-Alanine, conf. II
513172.2690 5.5825 -4.0703 3 459.9914375 89503 303623923 613824 a-Alanine, conf. II
513172.2690 5.5825 -4.0703 3 459.9914375 89503 303623924 613823 a-Alanine, conf. II
513183.9175 28.2799 -3.4427 3 861.1712555 89503 303922964 912963 a-Alanine, conf. II
513183.9627 28.2801 -3.4427 3 861.1712555 89503 303922864 912863 a-Alanine, conf. II
513228.8073 67.8178 -3.5229 3 938.6872621 89503 303A31390 A21389 a-Alanine, conf. II
513228.8073 67.8178 -3.5229 3 938.6872621 89503 303A31490 A21489 a-Alanine, conf. II
513237.9725 6.1591 -4.2249 3 301.2016333 89503 303551738 541539 a-Alanine, conf. II
513251.0579 6.1482 -4.2249 3 301.2016333 89503 303551838 541639 a-Alanine, conf. II
513297.0351 38.7272 -3.5038 3 911.3527591 89503 303982078 972077 a-Alanine, conf. II
513297.0351 38.7272 -3.5038 3 911.3527591 89503 303982178 972177 a-Alanine, conf. II
513306.5925 51.2662 -3.6520 3 920.5710543 89503 303904842 894841 a-Alanine, conf. II
513306.5925 51.2662 -3.6520 3 920.5710543 89503 303904843 894842 a-Alanine, conf. II
513327.0109 61.3815 -3.4194 3 831.6092531 89503 303883851 873850 a-Alanine, conf. II
513332.2835 50.3699 -3.9717 3 1027.1376549 89503 303916031 906030 a-Alanine, conf. II
513332.2835 50.3699 -3.9717 3 1027.1376549 89503 303916032 906031 a-Alanine, conf. II
513346.0842301.5556 -3.5133 3 962.3158669 89503 303B1 2A9 B0 2A8 a-Alanine, conf. II
513346.0842301.5556 -3.5133 3 962.3158669 89503 303B1 3A9 B0 3A8 a-Alanine, conf. II
513402.9514102.8060 -3.3202 3 786.0598519 89503 303863551 853550 a-Alanine, conf. II
513462.8787 31.9891 -3.2670 3 763.6571513 89503 303853352 843351 a-Alanine, conf. II
513525.6501 10.6151 -3.8900 3 437.5475333 89503 3035548 7 5447 8 a-Alanine, conf. II
513525.6501 10.6151 -3.8900 3 437.5475333 89503 3035548 8 5447 7 a-Alanine, conf. II
513545.1525 15.5132 -4.1157 3 346.1612351 89503 303582237 572038 a-Alanine, conf. II
513589.4076 5.0395 -4.4032 3 255.4904279 89503 303463115 452916 a-Alanine, conf. II
513589.4076 5.0395 -4.4032 3 255.4904279 89503 303463116 452917 a-Alanine, conf. II
513647.4230 66.0152 -3.4189 3 831.6196531 89503 303883850 873849 a-Alanine, conf. II
513667.9918 50.4963 -3.9429 3 1018.7895549 89503 303915932 905931 a-Alanine, conf. II
513667.9918 50.4963 -3.9429 3 1018.7895549 89503 303915933 905932 a-Alanine, conf. II
513768.0405 23.7969 -3.3616 3 811.9582531 89503 303883256 873255 a-Alanine, conf. II
513768.6390122.1990 -3.5274 3 951.8875639 89503 303A6 997 A5 996 a-Alanine, conf. II
513768.6390122.1990 -3.5274 3 951.8875639 89503 303A61097 A51096 a-Alanine, conf. II
513843.3293 3.1757 -4.2028 3 299.8610315 89503 303522824 512625 a-Alanine, conf. II
513844.6192 3.1755 -4.2028 3 299.8609315 89503 303522825 512626 a-Alanine, conf. II
513892.7014 48.1009 -3.5209 3 930.7466609 89503 303A11685 A01684 a-Alanine, conf. II
513892.7014 48.1009 -3.5209 3 930.7466609 89503 303A11785 A01784 a-Alanine, conf. II
513975.9861 15.1200 -3.8367 3 435.8154315 89503 3035252 0 5151 1 a-Alanine, conf. II
513975.9861 15.1200 -3.8367 3 435.8154315 89503 3035252 1 5151 0 a-Alanine, conf. II
514019.1041 7.4780 -4.4647 3 524.9462423 89503 303703140 693039 a-Alanine, conf. II
514024.1609 50.6487 -3.9148 3 1010.5992549 89503 303915833 905832 a-Alanine, conf. II
514024.1609 50.6487 -3.9148 3 1010.5992549 89503 303915834 905833 a-Alanine, conf. II
514057.3464 52.0182 -3.6304 3 914.2035543 89503 303904743 894742 a-Alanine, conf. II
514057.3464 52.0182 -3.6304 3 914.2035543 89503 303904744 894743 a-Alanine, conf. II
514068.8796 36.1508 -3.4915 3 898.6604579 89503 303962373 952372 a-Alanine, conf. II
514068.8796 36.1508 -3.4915 3 898.6604579 89503 303962473 952472 a-Alanine, conf. II
514087.2394 30.4140 -3.4586 3 872.6162561 89503 303932866 922865 a-Alanine, conf. II
514087.2413 30.4140 -3.4586 3 872.6162561 89503 303932766 922765 a-Alanine, conf. II
514166.4781 6.5474 -3.9798 3 448.4053357 89503 303594316 584217 a-Alanine, conf. II
514166.4781 6.5474 -3.9798 3 448.4053357 89503 303594317 584216 a-Alanine, conf. II
514173.1574 5.8565 -4.1018 3 466.5756381 89503 303633825 623726 a-Alanine, conf. II
514173.1574 5.8565 -4.1018 3 466.5756381 89503 303633826 623725 a-Alanine, conf. II
514203.3085211.7316 -3.5253 3 961.5959657 89503 303A9 5A4 A8 5A3 a-Alanine, conf. II
514203.3085211.7316 -3.5253 3 961.5959657 89503 303A9 6A4 A8 6A3 a-Alanine, conf. II
514330.4284 56.8649 -3.4927 3 862.9111537 89503 303894149 884148 a-Alanine, conf. II
514332.7342 56.9095 -3.4927 3 862.9111537 89503 303894148 884147 a-Alanine, conf. II
514402.5880 50.8300 -3.8874 3 1002.5676549 89503 303915734 905733 a-Alanine, conf. II
514402.5880 50.8300 -3.8874 3 1002.5676549 89503 303915735 905734 a-Alanine, conf. II
514485.6514 79.5414 -3.5306 3 946.5823627 89503 303A41292 A31291 a-Alanine, conf. II
514485.6514 79.5414 -3.5306 3 946.5823627 89503 303A41392 A31391 a-Alanine, conf. II
514493.3461 4.2039 -4.3261 3 269.2272291 89503 303483018 472819 a-Alanine, conf. II
514493.3461 4.2039 -4.3261 3 269.2272291 89503 303483019 472820 a-Alanine, conf. II
514523.3234341.8490 -3.5165 3 967.8067675 89503 303B2 1B1 B1 1B0 a-Alanine, conf. II
514523.3234341.8490 -3.5165 3 967.8067675 89503 303B2 2B1 B1 2B0 a-Alanine, conf. II
514555.9559 40.5175 -3.5146 3 920.8077597 89503 303991980 981979 a-Alanine, conf. II
514555.9559 40.5175 -3.5146 3 920.8077597 89503 303992080 982079 a-Alanine, conf. II
514702.6191 3.5567 -4.2603 3 284.0012303 89503 303502921 492722 a-Alanine, conf. II
514702.6316 3.5567 -4.2603 3 284.0012303 89503 303502922 492723 a-Alanine, conf. II
514710.2782 94.7308 -3.3605 3 806.5029525 89503 303873651 863650 a-Alanine, conf. II
514791.6020 9.5935 -3.9089 3 441.2372339 89503 3035647 9 554610 a-Alanine, conf. II
514791.6020 9.5935 -3.9089 3 441.2372339 89503 303564710 5546 9 a-Alanine, conf. II
514805.3035 51.0438 -3.8606 3 994.6961549 89503 303915635 905634 a-Alanine, conf. II
514805.3035 51.0438 -3.8606 3 994.6961549 89503 303915636 905635 a-Alanine, conf. II
514834.6545 3.2166 -4.1408 3 327.3694333 89503 303552728 542529 a-Alanine, conf. II
514879.9466 52.9115 -3.6093 3 908.0193543 89503 303904645 894644 a-Alanine, conf. II
514879.9467 52.9115 -3.6093 3 908.0193543 89503 303904644 894643 a-Alanine, conf. II
514998.6647143.0755 -3.5335 3 958.9133645 89503 303A7 899 A6 898 a-Alanine, conf. II
514998.6647143.0755 -3.5335 3 958.9133645 89503 303A7 999 A6 998 a-Alanine, conf. II
515011.0334 3.2137 -4.1405 3 327.3634333 89503 303552729 542530 a-Alanine, conf. II
515084.3232 6.3172 -4.1360 3 473.5582387 89503 303643727 633628 a-Alanine, conf. II
515084.3232 6.3172 -4.1360 3 473.5582387 89503 303643728 633627 a-Alanine, conf. II
515102.3762 32.5247 -3.4737 3 883.7889567 89503 303942668 932667 a-Alanine, conf. II
515102.3762 32.5247 -3.4737 3 883.7889567 89503 303942768 932767 a-Alanine, conf. II
515160.6211 54.0905 -3.5299 3 939.3087615 89503 303A21587 A11586 a-Alanine, conf. II
515160.6211 54.0905 -3.5299 3 939.3087615 89503 303A21687 A11686 a-Alanine, conf. II
515234.6142 51.2941 -3.8346 3 986.9860549 89503 303915536 905535 a-Alanine, conf. II
515234.6142 51.2941 -3.8346 3 986.9860549 89503 303915537 905536 a-Alanine, conf. II
515265.9362 13.8512 -3.8522 3 438.3147321 89503 3035351 2 5250 3 a-Alanine, conf. II
515265.9362 13.8512 -3.8522 3 438.3147321 89503 3035351 3 5250 2 a-Alanine, conf. II
515281.9092 37.6739 -3.5039 3 908.8228585 89503 303972275 962274 a-Alanine, conf. II
515281.9092 37.6739 -3.5039 3 908.8228585 89503 303972375 962374 a-Alanine, conf. II
515347.5768 6.0783 -4.0045 3 453.6833363 89503 303604218 594119 a-Alanine, conf. II
515347.5768 6.0783 -4.0045 3 453.6833363 89503 303604219 594118 a-Alanine, conf. II
515402.4370243.1939 -3.5298 3 967.7520663 89503 303B0 4A6 A9 4A5 a-Alanine, conf. II
515402.4370243.1939 -3.5298 3 967.7520663 89503 303B0 5A6 A9 5A5 a-Alanine, conf. II
515556.4059 62.5312 -3.4014 3 827.3585531 89503 303883752 873751 a-Alanine, conf. II
515578.5447 53.2244 -4.5245 3 1187.7563555 89503 303927517 917516 a-Alanine, conf. II
515578.5447 53.2244 -4.5245 3 1187.7563555 89503 303927518 917517 a-Alanine, conf. II
515628.1725 5.4880 -4.0129 3 445.6250393 89503 303652738 642539 a-Alanine, conf. II
515653.2315 27.8101 -3.3674 3 815.9288531 89503 303883455 873454 a-Alanine, conf. II
515693.0306385.8667 -3.5194 3 973.0880681 89503 303B3 0B3 B2 0B2 a-Alanine, conf. II
515693.0306385.8667 -3.5194 3 973.0880681 89503 303B3 1B3 B2 1B2 a-Alanine, conf. II
515693.1560 51.5860 -3.8092 3 979.4389549 89503 303915437 905436 a-Alanine, conf. II
515693.1560 51.5860 -3.8092 3 979.4389549 89503 303915438 905437 a-Alanine, conf. II
515735.6671 93.6269 -3.5380 3 954.2702633 89503 303A51194 A41193 a-Alanine, conf. II
515735.6671 93.6269 -3.5380 3 954.2702633 89503 303A51294 A41293 a-Alanine, conf. II
515736.4168 44.8784 -4.0189 3 443.4715393 89503 303652639 642440 a-Alanine, conf. II
515739.2059 53.1398 -4.4799 3 1177.1351555 89503 303927418 917417 a-Alanine, conf. II
515739.2059 53.1398 -4.4799 3 1177.1351555 89503 303927419 917418 a-Alanine, conf. II
515786.6967 53.9827 -3.5887 3 902.0236543 89503 303904546 894545 a-Alanine, conf. II
515786.6975 53.9828 -3.5887 3 902.0236543 89503 303904545 894544 a-Alanine, conf. II
515820.6405 42.9050 -3.5250 3 930.0472603 89503 303A01882 991881 a-Alanine, conf. II
515820.6405 42.9050 -3.5250 3 930.0472603 89503 303A01982 991981 a-Alanine, conf. II
515875.2354 12.8980 -4.4622 3 524.9001423 89503 303703139 693040 a-Alanine, conf. II
515875.6797 6.9271 -4.1734 3 480.9518393 89503 303653630 643529 a-Alanine, conf. II
515875.6799 6.9271 -4.1734 3 480.9518393 89503 303653629 643530 a-Alanine, conf. II
515907.5607 53.0655 -4.4370 3 1166.6626555 89503 303927319 917318 a-Alanine, conf. II
515907.5607 53.0655 -4.4370 3 1166.6626555 89503 303927320 917319 a-Alanine, conf. II
515930.7950 59.7063 -3.4738 3 857.9291537 89503 303894050 884049 a-Alanine, conf. II
515935.8902 12.8578 -4.0421 3 432.6809387 89503 303642737 632538 a-Alanine, conf. II
515947.7484 60.0090 -3.4738 3 857.9296537 89503 303894049 884048 a-Alanine, conf. II
515948.3949 2.9676 -4.3023 3 283.9914327 89503 303541539 531340 a-Alanine, conf. II
515948.6780 2.9674 -4.3023 3 283.9914327 89503 303541639 531440 a-Alanine, conf. II
516027.0137 24.1886 -3.4107 3 842.0116543 89503 303903259 893258 a-Alanine, conf. II
516045.7941 8.6545 -3.9288 3 445.2784345 89503 303574611 564512 a-Alanine, conf. II
516045.7941 8.6545 -3.9288 3 445.2784345 89503 303574612 564511 a-Alanine, conf. II
516084.0612 53.0019 -4.3956 3 1156.3391555 89503 303927220 917219 a-Alanine, conf. II
516084.0612 53.0019 -4.3956 3 1156.3391555 89503 303927221 917220 a-Alanine, conf. II
516124.2709 24.2759 -3.4105 3 842.0052543 89503 303903159 893158 a-Alanine, conf. II
516141.3990 17.6170 -4.0977 3 360.3537357 89503 303592337 582138 a-Alanine, conf. II
516159.6432 23.0183 -3.3889 3 829.1682537 89503 303893357 883356 a-Alanine, conf. II
516183.9613 51.9253 -3.7844 3 972.0565549 89503 303915338 905337 a-Alanine, conf. II
516183.9613 51.9253 -3.7844 3 972.0565549 89503 303915339 905338 a-Alanine, conf. II
516195.3480 34.5289 -3.4881 3 894.7046573 89503 303952570 942569 a-Alanine, conf. II
516195.3480 34.5289 -3.4881 3 894.7046573 89503 303952670 942669 a-Alanine, conf. II
516220.2318166.6967 -3.5393 3 965.7322651 89503 303A8 7A1 A7 7A0 a-Alanine, conf. II
516220.2318166.6967 -3.5393 3 965.7322651 89503 303A8 8A1 A7 8A0 a-Alanine, conf. II
516239.0312 25.9115 -3.4307 3 854.4474549 89503 303913161 903160 a-Alanine, conf. II
516246.0506 25.9255 -3.4306 3 854.4469549 89503 303913061 903060 a-Alanine, conf. II
516269.1965 52.9495 -4.3555 3 1146.1651555 89503 303927121 917120 a-Alanine, conf. II
516269.1965 52.9495 -4.3555 3 1146.1651555 89503 303927122 917121 a-Alanine, conf. II
516395.4899 9.5651 -4.3795 3 515.0600417 89503 303693238 683137 a-Alanine, conf. II
516424.8562 62.0174 -3.5385 3 947.6618621 89503 303A31489 A21488 a-Alanine, conf. II
516424.8562 62.0174 -3.5385 3 947.6618621 89503 303A31589 A21588 a-Alanine, conf. II
516463.4965 52.9087 -4.3168 3 1136.1410555 89503 303927022 917021 a-Alanine, conf. II
516463.4965 52.9087 -4.3168 3 1136.1410555 89503 303927023 917022 a-Alanine, conf. II
516493.6607 5.8071 -4.0307 3 459.3309369 89503 303614120 604021 a-Alanine, conf. II
516493.6607 5.8071 -4.0307 3 459.3309369 89503 303614121 604020 a-Alanine, conf. II
516503.3633 7.6451 -4.2147 3 488.7726399 89503 303663532 653431 a-Alanine, conf. II
516503.3721 7.6451 -4.2147 3 488.7726399 89503 303663531 653432 a-Alanine, conf. II
516516.0719 39.1477 -3.5158 3 918.7593591 89503 303982177 972176 a-Alanine, conf. II
516516.0719 39.1477 -3.5158 3 918.7593591 89503 303982277 972276 a-Alanine, conf. II
516526.7125 10.0411 -4.3793 3 515.0566417 89503 303693237 683138 a-Alanine, conf. II
516550.8561 12.6403 -3.8686 3 441.1578327 89503 3035450 4 5349 5 a-Alanine, conf. II
516550.8561 12.6403 -3.8686 3 441.1578327 89503 3035450 5 5349 4 a-Alanine, conf. II
516593.2430277.9275 -3.5339 3 973.6999669 89503 303B1 3A8 B0 3A7 a-Alanine, conf. II
516593.2430277.9275 -3.5339 3 973.6999669 89503 303B1 4A8 B0 4A7 a-Alanine, conf. II
516652.3526 13.3770 -4.0678 3 377.5704363 89503 303602536 592337 a-Alanine, conf. II
516667.5366 52.8802 -4.2793 3 1126.2672555 89503 303926923 916922 a-Alanine, conf. II
516667.5366 52.8802 -4.2793 3 1126.2672555 89503 303926924 916923 a-Alanine, conf. II
516710.5448 52.3194 -3.7602 3 964.8408549 89503 303915239 905238 a-Alanine, conf. II
516710.5448 52.3194 -3.7602 3 964.8408549 89503 303915240 905239 a-Alanine, conf. II
516778.8512 5.2647 -4.0803 3 368.7036357 89503 303592634 582435 a-Alanine, conf. II
516793.5110 55.2834 -3.5685 3 896.2222543 89503 303904447 894446 a-Alanine, conf. II
516793.5190 55.2836 -3.5685 3 896.2222543 89503 303904446 894445 a-Alanine, conf. II
516794.0124 27.8865 -3.4490 3 866.5262555 89503 303923063 913062 a-Alanine, conf. II
516794.4206 27.8878 -3.4490 3 866.5262555 89503 303922963 912962 a-Alanine, conf. II
516881.9426 52.8647 -4.2429 3 1116.5442555 89503 303926824 916823 a-Alanine, conf. II
516881.9426 52.8647 -4.2429 3 1116.5442555 89503 303926825 916824 a-Alanine, conf. II
516899.9562 8.4238 -4.2612 3 497.0419405 89503 303673434 663333 a-Alanine, conf. II
516900.2336 8.4249 -4.2612 3 497.0419405 89503 303673433 663334 a-Alanine, conf. II
516949.6482 8.2829 -4.1973 3 314.9031339 89503 303561838 551639 a-Alanine, conf. II
516951.2850 9.1810 -4.3149 3 505.7893411 89503 303683336 673235 a-Alanine, conf. II
516958.1571 9.2081 -4.3149 3 505.7891411 89503 303683335 673236 a-Alanine, conf. II
516978.2301110.1827 -3.5449 3 961.7511639 89503 303A61096 A51095 a-Alanine, conf. II
516978.2301110.1827 -3.5449 3 961.7511639 89503 303A61196 A51195 a-Alanine, conf. II
517000.5020 8.2336 -4.1972 3 314.9031339 89503 303561938 551739 a-Alanine, conf. II
517087.7389 46.2610 -3.5350 3 939.0735609 89503 303A11784 A01783 a-Alanine, conf. II
517087.7389 46.2610 -3.5350 3 939.0735609 89503 303A11884 A01883 a-Alanine, conf. II
517107.3970 52.8628 -4.2076 3 1106.9726555 89503 303926725 916724 a-Alanine, conf. II
517107.3970 52.8628 -4.2076 3 1106.9726555 89503 303926726 916725 a-Alanine, conf. II
517159.1685 82.6525 -3.3986 3 827.4182531 89503 303883751 873750 a-Alanine, conf. II
517175.8521 23.7515 -3.3869 3 829.0957537 89503 303893257 883256 a-Alanine, conf. II
517215.3506 1.3490 -4.3954 3 266.7389321 89503 303531340 521141 a-Alanine, conf. II
517215.3546 1.3490 -4.3954 3 266.7389321 89503 303531440 521241 a-Alanine, conf. II
517228.8713 19.2015 -3.2935 3 780.7844519 89503 303863353 853352 a-Alanine, conf. II
517277.0144 52.7774 -3.7366 3 957.7939549 89503 303915140 905139 a-Alanine, conf. II
517277.0144 52.7774 -3.7366 3 957.7939549 89503 303915141 905140 a-Alanine, conf. II
517285.1009 7.8148 -3.9499 3 449.6740351 89503 303584513 574414 a-Alanine, conf. II
517285.1009 7.8148 -3.9499 3 449.6740351 89503 303584514 574413 a-Alanine, conf. II
517343.4647 36.3772 -3.5018 3 905.3748579 89503 303962472 952471 a-Alanine, conf. II
517343.4647 36.3772 -3.5018 3 905.3748579 89503 303962572 952571 a-Alanine, conf. II
517344.6453 52.8756 -4.1733 3 1097.5528555 89503 303926626 916625 a-Alanine, conf. II
517344.6453 52.8756 -4.1733 3 1097.5528555 89503 303926627 916626 a-Alanine, conf. II
517365.5791 7.5442 -4.5071 3 538.6819429 89503 303713141 703040 a-Alanine, conf. II
517365.8310 56.6148 -3.3851 3 823.3889531 89503 303883653 873652 a-Alanine, conf. II
517433.2841193.2014 -3.5446 3 972.3438657 89503 303A9 6A3 A8 6A2 a-Alanine, conf. II
517433.2841193.2014 -3.5446 3 972.3438657 89503 303A9 7A3 A8 7A2 a-Alanine, conf. II
517475.1328 5.8656 -4.4652 3 251.0904273 89503 303453213 443014 a-Alanine, conf. II
517475.1328 5.8656 -4.4652 3 251.0904273 89503 303453214 443015 a-Alanine, conf. II
517483.2300 2.6569 -4.5104 3 249.4776315 89503 303521141 51 942 a-Alanine, conf. II
517483.2300 2.6569 -4.5104 3 249.4776315 89503 303521241 511042 a-Alanine, conf. II
517575.8127 30.0377 -3.4660 3 878.2892561 89503 303932965 922964 a-Alanine, conf. II
517575.8325 30.0378 -3.4660 3 878.2892561 89503 303932865 922864 a-Alanine, conf. II
517594.5041 52.9039 -4.1399 3 1088.2855555 89503 303926527 916526 a-Alanine, conf. II
517594.5041 52.9039 -4.1399 3 1088.2855555 89503 303926528 916527 a-Alanine, conf. II
517594.9694 5.7573 -4.0587 3 465.3542375 89503 303624022 613923 a-Alanine, conf. II
517594.9694 5.7573 -4.0587 3 465.3542375 89503 303624023 613922 a-Alanine, conf. II
517634.9854 42.0974 -3.3733 3 819.6325531 89503 303883554 873553 a-Alanine, conf. II
517684.0657 72.1020 -3.5467 3 955.8066627 89503 303A41391 A31390 a-Alanine, conf. II
517684.0657 72.1020 -3.5467 3 955.8066627 89503 303A41491 A31490 a-Alanine, conf. II
517764.5277 40.7288 -3.5273 3 928.4744597 89503 303992079 982078 a-Alanine, conf. II
517764.5277 40.7288 -3.5273 3 928.4744597 89503 303992179 982178 a-Alanine, conf. II
517776.0229316.1093 -3.5377 3 979.4392675 89503 303B2 2B0 B1 2A9 a-Alanine, conf. II
517776.0229316.1093 -3.5377 3 979.4392675 89503 303B2 3B0 B1 3A9 a-Alanine, conf. II
517811.8401 63.1862 -3.4552 3 853.1954537 89503 303893951 883950 a-Alanine, conf. II
517829.3573 11.4914 -3.8859 3 444.3464333 89503 3035549 6 5448 7 a-Alanine, conf. II
517829.3573 11.4914 -3.8859 3 444.3464333 89503 3035549 7 5448 6 a-Alanine, conf. II
517857.8701 52.9489 -4.1075 3 1079.1713555 89503 303926428 916427 a-Alanine, conf. II
517857.8701 52.9489 -4.1075 3 1079.1713555 89503 303926429 916428 a-Alanine, conf. II
517888.2180 53.3104 -3.7136 3 950.9183549 89503 303915041 905040 a-Alanine, conf. II
517888.2180 53.3104 -3.7136 3 950.9183549 89503 303915042 905041 a-Alanine, conf. II
517921.5677 56.8883 -3.5488 3 890.6225543 89503 303904348 894347 a-Alanine, conf. II
517921.6437 56.8900 -3.5488 3 890.6225543 89503 303904347 894346 a-Alanine, conf. II
517922.0830 64.9844 -3.4550 3 853.1988537 89503 303893950 883949 a-Alanine, conf. II
518135.7308 53.0121 -4.0759 3 1070.2109555 89503 303926329 916328 a-Alanine, conf. II
518135.7308 53.0121 -4.0759 3 1070.2109555 89503 303926330 916329 a-Alanine, conf. II
518212.9016129.3183 -3.5515 3 969.0250645 89503 303A7 998 A6 997 a-Alanine, conf. II
518212.9016129.3183 -3.5515 3 969.0250645 89503 303A71098 A61097 a-Alanine, conf. II
518216.6820 3.2270 -4.1896 3 309.8779321 89503 303532825 522626 a-Alanine, conf. II
518220.1162 3.2267 -4.1896 3 309.8778321 89503 303532826 522627 a-Alanine, conf. II
518222.6517 3.3831 -4.1313 3 338.0748339 89503 303562729 552530 a-Alanine, conf. II
518354.6255 50.9810 -3.5446 3 947.8882615 89503 303A21686 A11685 a-Alanine, conf. II
518354.6255 50.9810 -3.5446 3 947.8882615 89503 303A21786 A11785 a-Alanine, conf. II
518429.1770 53.0948 -4.0452 3 1061.4051555 89503 303926230 916229 a-Alanine, conf. II
518429.1770 53.0948 -4.0452 3 1061.4051555 89503 303926231 916230 a-Alanine, conf. II
518505.5859 7.0976 -3.9723 3 454.4274357 89503 303594415 584316 a-Alanine, conf. II
518505.5859 7.0976 -3.9723 3 454.4274357 89503 303594416 584315 a-Alanine, conf. II
518506.8493 32.2491 -3.4820 3 889.7643567 89503 303942867 932866 a-Alanine, conf. II
518506.8501 32.2491 -3.4820 3 889.7643567 89503 303942767 932766 a-Alanine, conf. II
518530.8939 38.0600 -3.5149 3 915.8079585 89503 303972374 962373 a-Alanine, conf. II
518530.8939 38.0600 -3.5149 3 915.8079585 89503 303972474 962473 a-Alanine, conf. II
518549.9387 53.9328 -3.6912 3 944.2170549 89503 303914942 904941 a-Alanine, conf. II
518549.9387 53.9328 -3.6912 3 944.2170549 89503 303914943 904942 a-Alanine, conf. II
518615.3308 3.3627 -4.1307 3 338.0612339 89503 303562730 552531 a-Alanine, conf. II
518637.8753222.7399 -3.5496 3 978.7478663 89503 303B0 5A5 A9 5A4 a-Alanine, conf. II
518637.8753222.7399 -3.5496 3 978.7478663 89503 303B0 6A5 A9 6A4 a-Alanine, conf. II
518638.6369 5.9328 -4.0887 3 471.7603381 89503 303633924 623825 a-Alanine, conf. II
518638.6369 5.9328 -4.0887 3 471.7603381 89503 303633925 623824 a-Alanine, conf. II
518654.2930 16.8975 -4.0722 3 419.9348381 89503 303632736 622537 a-Alanine, conf. II
518704.0648 35.9311 -4.1051 3 386.2668369 89503 303612338 602139 a-Alanine, conf. II
518735.0446 4.9161 -4.3787 3 264.2292285 89503 303473116 462917 a-Alanine, conf. II
518735.0446 4.9161 -4.3787 3 264.2292285 89503 303473117 462918 a-Alanine, conf. II
518739.4173 53.1988 -4.0152 3 1052.7546555 89503 303926131 916130 a-Alanine, conf. II
518739.4173 53.1988 -4.0152 3 1052.7546555 89503 303926132 916131 a-Alanine, conf. II
518937.2139 84.5018 -3.5546 3 963.7437633 89503 303A51293 A41292 a-Alanine, conf. II
518937.2139 84.5018 -3.5546 3 963.7437633 89503 303A51393 A41392 a-Alanine, conf. II
518951.1503357.9247 -3.5411 3 984.9693681 89503 303B3 1B2 B2 1B1 a-Alanine, conf. II
518951.1503357.9247 -3.5411 3 984.9693681 89503 303B3 2B2 B2 2B1 a-Alanine, conf. II
519022.0499 42.6570 -3.5383 3 937.9715603 89503 303A01981 991980 a-Alanine, conf. II
519022.0499 42.6570 -3.5383 3 937.9715603 89503 303A02081 992080 a-Alanine, conf. II
519067.7962 53.3263 -3.9860 3 1044.2605555 89503 303926032 916031 a-Alanine, conf. II
519067.7962 53.3263 -3.9860 3 1044.2605555 89503 303926033 916032 a-Alanine, conf. II
519099.7056 10.4110 -3.9042 3 447.8826339 89503 3035648 8 5547 9 a-Alanine, conf. II
519099.7056 10.4110 -3.9042 3 447.8826339 89503 3035648 9 5547 8 a-Alanine, conf. II
519199.9686 58.9084 -3.5295 3 885.2337543 89503 303904249 894248 a-Alanine, conf. II
519200.6265 58.9225 -3.5295 3 885.2337543 89503 303904248 894247 a-Alanine, conf. II
519269.1644 54.6628 -3.6692 3 937.6931549 89503 303914843 904842 a-Alanine, conf. II
519269.1644 54.6628 -3.6692 3 937.6931549 89503 303914844 904843 a-Alanine, conf. II
519405.9503 20.2229 -4.0027 3 458.7199399 89503 303662739 652540 a-Alanine, conf. II
519415.8141 53.4797 -3.9576 3 1035.9237555 89503 303925933 915932 a-Alanine, conf. II
519415.8141 53.4797 -3.9576 3 1035.9237555 89503 303925934 915933 a-Alanine, conf. II
519439.4007151.1519 -3.5578 3 976.0918651 89503 303A8 8A0 A7 899 a-Alanine, conf. II
519439.4007151.1519 -3.5578 3 976.0918651 89503 303A8 9A0 A7 999 a-Alanine, conf. II
519444.4216 3.5248 -4.2442 3 293.5778309 89503 303512922 502723 a-Alanine, conf. II
519444.4596 3.5248 -4.2442 3 293.5778309 89503 303512923 502724 a-Alanine, conf. II
519473.6633 4.1127 -4.3063 3 278.3794297 89503 303493019 482820 a-Alanine, conf. II
519473.6635 4.1127 -4.3063 3 278.3794297 89503 303493020 482821 a-Alanine, conf. II
519539.7379 34.4144 -3.4972 3 900.9708573 89503 303952669 942668 a-Alanine, conf. II
519539.7379 34.4144 -3.4972 3 900.9708573 89503 303952769 942768 a-Alanine, conf. II
519562.6613 14.8851 -3.8497 3 445.5639321 89503 3035352 1 5251 2 a-Alanine, conf. II
519562.6613 14.8851 -3.8497 3 445.5639321 89503 3035352 2 5251 1 a-Alanine, conf. II
519607.3935 6.3153 -4.1211 3 478.5582387 89503 303643826 633727 a-Alanine, conf. II
519607.3935 6.3153 -4.1211 3 478.5582387 89503 303643827 633726 a-Alanine, conf. II
519619.2380 57.4299 -3.5538 3 956.4926621 89503 303A31588 A21587 a-Alanine, conf. II
519619.2380 57.4299 -3.5538 3 956.4926621 89503 303A31688 A21687 a-Alanine, conf. II
519673.4724 18.4247 -4.0837 3 374.7217363 89503 303602437 592238 a-Alanine, conf. II
519702.2651 6.5329 -3.9960 3 459.5425363 89503 303604317 594218 a-Alanine, conf. II
519702.2651 6.5329 -3.9960 3 459.5425363 89503 303604318 594217 a-Alanine, conf. II
519723.4041 74.6041 -3.2934 3 783.2177519 89503 303863452 853451 a-Alanine, conf. II
519746.2116 39.6160 -3.5275 3 926.0107591 89503 303982276 972275 a-Alanine, conf. II
519746.2116 39.6160 -3.5275 3 926.0107591 89503 303982376 972375 a-Alanine, conf. II
519785.1536 53.6617 -3.9299 3 1027.7452555 89503 303925834 915833 a-Alanine, conf. II
519785.1536 53.6617 -3.9299 3 1027.7452555 89503 303925835 915834 a-Alanine, conf. II
519834.1579255.4732 -3.5543 3 984.9439669 89503 303B1 4A7 B0 4A6 a-Alanine, conf. II
519834.1579255.4732 -3.5543 3 984.9439669 89503 303B1 5A7 B0 5A6 a-Alanine, conf. II
519893.2143 24.7558 -3.3230 3 798.0373525 89503 303873354 863353 a-Alanine, conf. II
519979.9272 66.2823 -3.4368 3 848.7320537 89503 303893852 883851 a-Alanine, conf. II
520054.4631 55.5244 -3.6478 3 931.3506549 89503 303914744 904743 a-Alanine, conf. II
520054.4631 55.5244 -3.6478 3 931.3506549 89503 303914745 904744 a-Alanine, conf. II
520119.0702403.5676 -3.5441 3 990.2897687 89503 303B4 0B4 B3 0B3 a-Alanine, conf. II
520119.0702403.5676 -3.5441 3 990.2897687 89503 303B4 1B4 B3 1B3 a-Alanine, conf. II
520139.5846 10.8909 -4.1729 3 328.8049345 89503 303571938 561739 a-Alanine, conf. II
520177.7095 53.8757 -3.9028 3 1019.7262555 89503 303925735 915734 a-Alanine, conf. II
520177.7095 53.8757 -3.9028 3 1019.7262555 89503 303925736 915735 a-Alanine, conf. II
520183.5168 99.3388 -3.5621 3 971.4733639 89503 303A61195 A51194 a-Alanine, conf. II
520183.5168 99.3388 -3.5621 3 971.4733639 89503 303A61295 A51294 a-Alanine, conf. II
520202.8310 26.1606 -3.3906 3 833.1292537 89503 303893456 883455 a-Alanine, conf. II
520227.0478 25.6805 -3.4347 3 859.2244549 89503 303913260 903259 a-Alanine, conf. II
520275.8534 25.7383 -3.4346 3 859.2213549 89503 303913160 903159 a-Alanine, conf. II
520284.5948 45.2554 -3.5488 3 947.2532609 89503 303A11883 A01882 a-Alanine, conf. II
520284.5948 45.2554 -3.5488 3 947.2532609 89503 303A11983 A01982 a-Alanine, conf. II
520307.9530 24.1932 -3.4130 3 846.3854543 89503 303903358 893357 a-Alanine, conf. II
520322.8466 10.6897 -4.1727 3 328.8051345 89503 303572038 561839 a-Alanine, conf. II
520359.7356 9.4088 -3.9235 3 451.7688345 89503 303574710 564611 a-Alanine, conf. II
520359.7356 9.4088 -3.9235 3 451.7688345 89503 303574711 564610 a-Alanine, conf. II
520477.5094 6.8710 -4.1563 3 485.7587393 89503 303653728 643629 a-Alanine, conf. II
520477.5094 6.8710 -4.1563 3 485.7587393 89503 303653729 643628 a-Alanine, conf. II
520492.1587 4.4703 -4.2679 3 297.5413333 89503 303551639 541440 a-Alanine, conf. II
520493.4737 4.4693 -4.2679 3 297.5413333 89503 303551739 541540 a-Alanine, conf. II
520534.0539 27.5301 -3.4544 3 871.6672555 89503 303923162 913161 a-Alanine, conf. II
520537.3744 27.5381 -3.4544 3 871.6670555 89503 303923062 913061 a-Alanine, conf. II
520595.6268 54.1256 -3.8764 3 1011.8681555 89503 303925636 915635 a-Alanine, conf. II
520595.6268 54.1256 -3.8764 3 1011.8681555 89503 303925637 915636 a-Alanine, conf. II
520597.6681 75.2983 -3.4358 3 848.7530537 89503 303893851 883850 a-Alanine, conf. II
520644.0455 36.4561 -3.5117 3 911.9231579 89503 303962571 952570 a-Alanine, conf. II
520644.0455 36.4561 -3.5117 3 911.9231579 89503 303962671 952670 a-Alanine, conf. II
520657.5844175.8133 -3.5637 3 982.9514657 89503 303A9 7A2 A8 7A1 a-Alanine, conf. II
520657.5844175.8133 -3.5637 3 982.9514657 89503 303A9 8A2 A8 8A1 a-Alanine, conf. II
520669.6464 61.5022 -3.5105 3 880.0673543 89503 303904150 894149 a-Alanine, conf. II
520674.7958 61.6043 -3.5105 3 880.0674543 89503 303904149 894148 a-Alanine, conf. II
520849.6420 13.6192 -3.8656 3 448.2564327 89503 3035451 3 5350 4 a-Alanine, conf. II
520849.6420 13.6192 -3.8656 3 448.2564327 89503 3035451 4 5350 3 a-Alanine, conf. II
520862.9403 24.5465 -3.4120 3 846.3468543 89503 303903258 893257 a-Alanine, conf. II
520868.7825 6.1544 -4.0212 3 465.0241369 89503 303614219 604120 a-Alanine, conf. II
520868.7825 6.1544 -4.0212 3 465.0241369 89503 303614220 604119 a-Alanine, conf. II
520879.9585 65.9018 -3.5626 3 964.8879627 89503 303A41490 A31489 a-Alanine, conf. II
520879.9585 65.9018 -3.5626 3 964.8879627 89503 303A41590 A31589 a-Alanine, conf. II
520916.5264 56.5498 -3.6269 3 925.1938549 89503 303914646 904645 a-Alanine, conf. II
520916.5266 56.5498 -3.6269 3 925.1938549 89503 303914645 904644 a-Alanine, conf. II
520980.9589 41.1444 -3.5396 3 935.9885597 89503 303992178 982177 a-Alanine, conf. II
520980.9589 41.1444 -3.5396 3 935.9885597 89503 303992278 982277 a-Alanine, conf. II
521022.3736291.5724 -3.5586 3 990.9316675 89503 303B2 3A9 B1 3A8 a-Alanine, conf. II
521022.3736291.5724 -3.5586 3 990.9316675 89503 303B2 4A9 B1 4A8 a-Alanine, conf. II
521041.3472 54.4162 -3.8507 3 1004.1724555 89503 303925537 915536 a-Alanine, conf. II
521041.3472 54.4162 -3.8507 3 1004.1724555 89503 303925538 915537 a-Alanine, conf. II
521067.9711 16.4797 -4.5023 3 538.5910429 89503 303713140 703041 a-Alanine, conf. II
521089.3654 9.9142 -4.4118 3 528.4724423 89503 303703239 693138 a-Alanine, conf. II
521151.9709 29.6265 -3.4727 3 883.7646561 89503 303933064 923063 a-Alanine, conf. II
521152.1551 29.6272 -3.4727 3 883.7646561 89503 303932964 922963 a-Alanine, conf. II
521207.0766 53.1711 -4.0720 3 428.2394387 89503 303642539 632340 a-Alanine, conf. II
521207.3630 3.6548 -4.1230 3 349.0059345 89503 303572730 562531 a-Alanine, conf. II
521215.3689 7.5605 -4.1949 3 493.3754399 89503 303663631 653530 a-Alanine, conf. II
521215.3695 7.5605 -4.1949 3 493.3754399 89503 303663630 653531 a-Alanine, conf. II
521296.5058 7.2992 -4.0763 3 380.2864363 89503 303602635 592436 a-Alanine, conf. II
521360.1148 56.0050 -4.4852 3 1194.3383561 89503 303937419 927418 a-Alanine, conf. II
521360.1148 56.0050 -4.4852 3 1194.3383561 89503 303937420 927419 a-Alanine, conf. II
521379.9230 10.9883 -4.4114 3 528.4650423 89503 303703238 693139 a-Alanine, conf. II
521422.4013116.7227 -3.5693 3 978.9956645 89503 303A71097 A61096 a-Alanine, conf. II
521422.4013116.7227 -3.5693 3 978.9956645 89503 303A71197 A61196 a-Alanine, conf. II
521517.6679 54.7531 -3.8256 3 996.6406555 89503 303925438 915437 a-Alanine, conf. II
521517.6679 54.7531 -3.8256 3 996.6406555 89503 303925439 915438 a-Alanine, conf. II
521534.3418 55.9422 -4.4434 3 1183.8714561 89503 303937320 927319 a-Alanine, conf. II
521534.3418 55.9422 -4.4434 3 1183.8714561 89503 303937321 927320 a-Alanine, conf. II
521549.0064 48.9093 -3.5590 3 956.3217615 89503 303A21785 A11784 a-Alanine, conf. II
521549.0064 48.9093 -3.5590 3 956.3217615 89503 303A21885 A11884 a-Alanine, conf. II
521606.7399 8.4994 -3.9439 3 456.0076351 89503 303584612 574513 a-Alanine, conf. II
521606.7399 8.4994 -3.9439 3 456.0076351 89503 303584613 574512 a-Alanine, conf. II
521716.9962 55.8906 -4.4030 3 1173.5538561 89503 303937221 927220 a-Alanine, conf. II
521716.9962 55.8906 -4.4030 3 1173.5538561 89503 303937222 927221 a-Alanine, conf. II
521771.3602 8.3418 -4.2378 3 501.4258405 89503 303673533 663432 a-Alanine, conf. II
521771.3851 8.3419 -4.2378 3 501.4258405 89503 303673532 663433 a-Alanine, conf. II
521799.1706 38.3318 -3.5255 3 922.6315585 89503 303972473 962472 a-Alanine, conf. II
521799.1706 38.3318 -3.5255 3 922.6315585 89503 303972573 962572 a-Alanine, conf. II
521867.4302203.4446 -3.5692 3 989.6035663 89503 303B0 6A4 A9 6A3 a-Alanine, conf. II
521867.4302203.4446 -3.5692 3 989.6035663 89503 303B0 7A4 A9 7A3 a-Alanine, conf. II
521868.9770 57.7834 -3.6065 3 919.2284549 89503 303914547 904546 a-Alanine, conf. II
521868.9790 57.7834 -3.6065 3 919.2284549 89503 303914546 904545 a-Alanine, conf. II
521908.5865 55.8508 -4.3640 3 1163.3860561 89503 303937122 927121 a-Alanine, conf. II
521908.5865 55.8508 -4.3640 3 1163.3860561 89503 303937123 927122 a-Alanine, conf. II
521965.8882 9.9022 -4.3427 3 518.9311417 89503 303693337 683236 a-Alanine, conf. II
521972.7648 31.8769 -3.4897 3 895.5537567 89503 303942966 932965 a-Alanine, conf. II
521972.7734 31.8769 -3.4897 3 895.5537567 89503 303942866 932865 a-Alanine, conf. II
521973.0237 15.7333 -4.0921 3 407.4307375 89503 303622735 612536 a-Alanine, conf. II
521982.4785 9.9700 -4.3427 3 518.9307417 89503 303693336 683237 a-Alanine, conf. II
521996.9561 5.9919 -4.0481 3 470.8774375 89503 303624121 614022 a-Alanine, conf. II
521996.9561 5.9919 -4.0481 3 470.8774375 89503 303624122 614021 a-Alanine, conf. II
522027.8152 55.1433 -3.8011 3 989.2746555 89503 303925339 915338 a-Alanine, conf. II
522027.8152 55.1433 -3.8011 3 989.2746555 89503 303925340 915339 a-Alanine, conf. II
522048.6331 3.5368 -4.1218 3 348.9766345 89503 303572731 562532 a-Alanine, conf. II
522067.7232 9.1616 -4.2862 3 509.9333411 89503 303683435 673334 a-Alanine, conf. II
522068.4488 9.1648 -4.2862 3 509.9333411 89503 303683434 673335 a-Alanine, conf. II
522095.2776 30.4336 -3.3528 3 815.3790531 89503 303883355 873354 a-Alanine, conf. II
522109.6642 55.8234 -4.3261 3 1153.3684561 89503 303937023 927022 a-Alanine, conf. II
522109.6642 55.8234 -4.3261 3 1153.3684561 89503 303937024 927023 a-Alanine, conf. II
522130.9399 12.4142 -3.8824 3 451.2934333 89503 3035550 5 5449 6 a-Alanine, conf. II
522130.9399 12.4142 -3.8824 3 451.2934333 89503 3035550 6 5449 5 a-Alanine, conf. II
522135.5270 76.6117 -3.5710 3 973.0747633 89503 303A51392 A41391 a-Alanine, conf. II
522135.5270 76.6117 -3.5710 3 973.0747633 89503 303A51492 A41491 a-Alanine, conf. II
522170.7888 65.2702 -3.4192 3 844.5556537 89503 303893753 883752 a-Alanine, conf. II
522202.8462331.2175 -3.5625 3 996.7103681 89503 303B3 2B1 B2 2B0 a-Alanine, conf. II
522202.8462331.2175 -3.5625 3 996.7103681 89503 303B3 3B1 B2 3B0 a-Alanine, conf. II
522228.7456 42.8194 -3.5512 3 945.7452603 89503 303A02080 992079 a-Alanine, conf. II
522228.7456 42.8194 -3.5512 3 945.7452603 89503 303A02180 992179 a-Alanine, conf. II
522306.7918 1.8118 -4.3520 3 280.1191327 89503 303541440 531241 a-Alanine, conf. II
522306.8139 1.8118 -4.3520 3 280.1191327 89503 303541540 531341 a-Alanine, conf. II
522320.8283 55.8090 -4.2894 3 1143.5014561 89503 303936924 926923 a-Alanine, conf. II
522320.8283 55.8090 -4.2894 3 1143.5014561 89503 303936925 926924 a-Alanine, conf. II
522328.4288107.9550 -3.3319 3 803.1850525 89503 303873552 863551 a-Alanine, conf. II
522385.8308 64.8215 -3.4917 3 875.1387543 89503 303904051 894050 a-Alanine, conf. II
522421.8537 65.4786 -3.4917 3 875.1397543 89503 303904050 894049 a-Alanine, conf. II
522463.1150 3.3050 -4.1776 3 320.1040327 89503 303542826 532627 a-Alanine, conf. II
522471.9518 3.3047 -4.1776 3 320.1037327 89503 303542827 532628 a-Alanine, conf. II
522542.7307 55.8084 -4.2538 3 1133.7856561 89503 303936825 926824 a-Alanine, conf. II
522542.7307 55.8084 -4.2538 3 1133.7856561 89503 303936826 926825 a-Alanine, conf. II
522575.5399 55.5950 -3.7772 3 982.0764555 89503 303925240 915239 a-Alanine, conf. II
522575.5399 55.5950 -3.7772 3 982.0764555 89503 303925241 915240 a-Alanine, conf. II
522578.7457 14.2474 -4.1517 3 342.9013351 89503 303582038 571839 a-Alanine, conf. II
522653.4728136.7654 -3.5760 3 986.3107651 89503 303A8 999 A7 998 a-Alanine, conf. II
522653.4728136.7654 -3.5760 3 986.3107651 89503 303A81099 A71098 a-Alanine, conf. II
522708.6944 5.7276 -4.4369 3 259.6199279 89503 303463214 453015 a-Alanine, conf. II
522708.6944 5.7276 -4.4369 3 259.6199279 89503 303463215 453016 a-Alanine, conf. II
522776.0829 55.8225 -4.2192 3 1124.2214561 89503 303936726 926725 a-Alanine, conf. II
522776.0829 55.8225 -4.2192 3 1124.2214561 89503 303936727 926726 a-Alanine, conf. II
522812.8088 54.0208 -3.5687 3 965.1786621 89503 303A31687 A21686 a-Alanine, conf. II
522812.8088 54.0208 -3.5687 3 965.1786621 89503 303A31787 A21786 a-Alanine, conf. II
522837.3244 7.7031 -3.9656 3 460.6021357 89503 303594514 584415 a-Alanine, conf. II
522837.3244 7.7031 -3.9656 3 460.6021357 89503 303594515 584414 a-Alanine, conf. II
522897.6365 26.0585 -4.1192 3 371.6455363 89503 303602238 592039 a-Alanine, conf. II
522928.5147 34.1618 -3.5058 3 907.0598573 89503 303952868 942867 a-Alanine, conf. II
522928.5151 34.1618 -3.5058 3 907.0598573 89503 303952768 942767 a-Alanine, conf. II
522929.6186 59.2880 -3.5865 3 913.4606549 89503 303914448 904447 a-Alanine, conf. II
522929.6385 59.2885 -3.5865 3 913.4606549 89503 303914447 904446 a-Alanine, conf. II
522967.9059 38.1342 -3.3948 3 836.8989537 89503 303893555 883554 a-Alanine, conf. II
522977.4100 2.0127 -4.4547 3 262.6744321 89503 303531241 521042 a-Alanine, conf. II
522977.4102 2.0127 -4.4547 3 262.6744321 89503 303531341 521142 a-Alanine, conf. II
522990.5868 40.0407 -3.5388 3 933.1043591 89503 303982375 972374 a-Alanine, conf. II
522990.5868 40.0407 -3.5388 3 933.1043591 89503 303982475 972474 a-Alanine, conf. II
523021.6625 55.8522 -4.1855 3 1114.8095561 89503 303936627 926626 a-Alanine, conf. II
523021.6625 55.8522 -4.1855 3 1114.8095561 89503 303936628 926627 a-Alanine, conf. II
523069.0232234.1992 -3.5744 3 996.0477669 89503 303B1 5A6 B0 5A5 a-Alanine, conf. II
523069.0232234.1992 -3.5744 3 996.0477669 89503 303B1 6A6 B0 6A5 a-Alanine, conf. II
523076.1255 6.0602 -4.0769 3 477.1090381 89503 303634023 623924 a-Alanine, conf. II
523076.1255 6.0602 -4.0769 3 477.1090381 89503 303634024 623923 a-Alanine, conf. II
523165.2411 56.1189 -3.7539 3 975.0484555 89503 303925141 915140 a-Alanine, conf. II
523165.2411 56.1189 -3.7539 3 975.0484555 89503 303925142 915141 a-Alanine, conf. II
523188.4848 13.5103 -4.1508 3 342.9020351 89503 303582138 571939 a-Alanine, conf. II
523280.3222 55.8987 -4.1527 3 1105.5506561 89503 303936528 926527 a-Alanine, conf. II
523280.3222 55.8987 -4.1527 3 1105.5506561 89503 303936529 926528 a-Alanine, conf. II
523345.7564112.5751 -3.3741 3 823.6718531 89503 303883652 873651 a-Alanine, conf. II
523375.9755374.5978 -3.5661 3 1002.2797687 89503 303B4 1B3 B3 1B2 a-Alanine, conf. II
523375.9755374.5978 -3.5661 3 1002.2797687 89503 303B4 2B3 B3 2B2 a-Alanine, conf. II
523384.9751 89.7139 -3.5790 3 981.0535639 89503 303A61294 A51293 a-Alanine, conf. II
523384.9751 89.7139 -3.5790 3 981.0535639 89503 303A61394 A51393 a-Alanine, conf. II
523405.0393 11.2755 -3.9001 3 454.6768339 89503 3035649 7 5548 8 a-Alanine, conf. II
523405.0393 11.2755 -3.9001 3 454.6768339 89503 3035649 8 5548 7 a-Alanine, conf. II
523484.6695 44.8999 -3.5623 3 955.2842609 89503 303A11982 A01981 a-Alanine, conf. II
523484.6695 44.8999 -3.5623 3 955.2842609 89503 303A12082 A02081 a-Alanine, conf. II
523539.9959 55.0728 -3.4044 3 840.6463537 89503 303893654 883653 a-Alanine, conf. II
523552.9992 55.9632 -4.1208 3 1096.4451561 89503 303936429 926428 a-Alanine, conf. II
523552.9992 55.9632 -4.1208 3 1096.4451561 89503 303936430 926429 a-Alanine, conf. II
523615.5064 4.2454 -4.1161 3 360.1709351 89503 303582731 572532 a-Alanine, conf. II
523797.4124 18.9504 -4.1337 3 357.1849357 89503 303592138 581939 a-Alanine, conf. II
523802.1307 56.7279 -3.7311 3 968.1932555 89503 303925042 915041 a-Alanine, conf. II
523802.1307 56.7279 -3.7311 3 968.1932555 89503 303925043 915042 a-Alanine, conf. II
523839.5247 4.7973 -4.3562 3 273.1659291 89503 303483117 472918 a-Alanine, conf. II
523839.5247 4.7973 -4.3562 3 273.1659291 89503 303483118 472919 a-Alanine, conf. II
523840.7264 56.0474 -4.0898 3 1087.4940561 89503 303936330 926329 a-Alanine, conf. II
523840.7264 56.0474 -4.0898 3 1087.4940561 89503 303936331 926330 a-Alanine, conf. II
523858.2404 15.9667 -3.8478 3 452.9598321 89503 3035353 0 5252 1 a-Alanine, conf. II
523858.2404 15.9667 -3.8478 3 452.9598321 89503 3035353 1 5252 0 a-Alanine, conf. II
523876.4904159.5878 -3.5825 3 993.4184657 89503 303A9 8A1 A8 8A0 a-Alanine, conf. II
523876.4904159.5878 -3.5825 3 993.4184657 89503 303A9 9A1 A8 9A0 a-Alanine, conf. II
523977.2796 36.3787 -3.5211 3 918.3008579 89503 303962670 952669 a-Alanine, conf. II
523977.2796 36.3787 -3.5211 3 918.3008579 89503 303962770 952769 a-Alanine, conf. II
524047.2156 7.0473 -3.9885 3 465.5560363 89503 303604416 594317 a-Alanine, conf. II
524047.2156 7.0473 -3.9885 3 465.5560363 89503 303604417 594316 a-Alanine, conf. II
524074.0569 60.9532 -3.5781 3 973.8253627 89503 303A41589 A31588 a-Alanine, conf. II
524074.0569 60.9532 -3.5781 3 973.8253627 89503 303A41689 A31688 a-Alanine, conf. II
524092.1872 6.3516 -4.1077 3 483.7265387 89503 303643925 633826 a-Alanine, conf. II
524092.1872 6.3516 -4.1077 3 483.7265387 89503 303643926 633825 a-Alanine, conf. II
524106.0532 3.5163 -4.2294 3 303.3583315 89503 303522923 512724 a-Alanine, conf. II
524106.1654 3.5163 -4.2294 3 303.3583315 89503 303522924 512725 a-Alanine, conf. II
524122.4327 61.1562 -3.5670 3 907.8985549 89503 303914349 904348 a-Alanine, conf. II
524122.6144 61.1605 -3.5670 3 907.8985549 89503 303914348 904347 a-Alanine, conf. II
524144.6461 56.1529 -4.0595 3 1078.6980561 89503 303936231 926230 a-Alanine, conf. II
524144.6461 56.1529 -4.0595 3 1078.6980561 89503 303936232 926231 a-Alanine, conf. II
524207.7275 41.6332 -3.5515 3 943.3476597 89503 303992277 982276 a-Alanine, conf. II
524207.7275 41.6332 -3.5515 3 943.3476597 89503 303992377 982376 a-Alanine, conf. II
524262.5456268.2415 -3.5792 3 1002.2837675 89503 303B2 4A8 B1 4A7 a-Alanine, conf. II
524262.5456268.2415 -3.5792 3 1002.2837675 89503 303B2 5A8 B1 5A7 a-Alanine, conf. II
524397.9527 4.0344 -4.2882 3 287.7321303 89503 303503020 492821 a-Alanine, conf. II
524397.9535 4.0344 -4.2882 3 287.7321303 89503 303503021 492822 a-Alanine, conf. II
524399.9812 68.6150 -3.4732 3 870.4678543 89503 303903952 893951 a-Alanine, conf. II
524409.2730 30.6027 -3.3817 3 832.7943537 89503 303893356 883355 a-Alanine, conf. II
524445.5868 25.5765 -3.4376 3 863.7410549 89503 303913359 903358 a-Alanine, conf. II
524450.6299 27.2565 -3.4590 3 876.5773555 89503 303923261 913260 a-Alanine, conf. II
524466.0257 56.2817 -4.0300 3 1070.0579561 89503 303936132 926131 a-Alanine, conf. II
524466.0257 56.2817 -4.0300 3 1070.0579561 89503 303936133 926132 a-Alanine, conf. II
524474.7210 27.2934 -3.4589 3 876.5758555 89503 303923161 913160 a-Alanine, conf. II
524492.4552 57.4387 -3.7089 3 961.5139555 89503 303924943 914942 a-Alanine, conf. II
524492.4552 57.4387 -3.7089 3 961.5139555 89503 303924944 914943 a-Alanine, conf. II
524504.2602 12.0282 -4.1017 3 395.1998369 89503 303612734 602535 a-Alanine, conf. II
524542.2326421.9105 -3.5693 3 1007.6390693 89503 303B5 0B5 B4 0B4 a-Alanine, conf. II
524542.2326421.9105 -3.5693 3 1007.6390693 89503 303B5 1B5 B4 1B4 a-Alanine, conf. II
524555.3178 25.6946 -3.4147 3 850.4813543 89503 303903457 893456 a-Alanine, conf. II
524621.1943 72.2811 -3.4728 3 870.4748543 89503 303903951 893950 a-Alanine, conf. II
524627.5760105.3300 -3.5867 3 988.8247645 89503 303A71196 A61195 a-Alanine, conf. II
524627.5760105.3300 -3.5867 3 988.8247645 89503 303A71296 A61295 a-Alanine, conf. II
524670.0519 10.2115 -3.9189 3 458.4088345 89503 3035748 9 564710 a-Alanine, conf. II
524670.0519 10.2115 -3.9189 3 458.4088345 89503 303574810 5647 9 a-Alanine, conf. II
524734.4252 6.3048 -4.2375 3 311.3016339 89503 303561739 551540 a-Alanine, conf. II
524740.1116 6.2997 -4.2375 3 311.3017339 89503 303561839 551640 a-Alanine, conf. II
524740.7234 25.7761 -3.4370 3 863.7209549 89503 303913259 903258 a-Alanine, conf. II
524744.9268 47.7276 -3.5731 3 964.6080615 89503 303A21884 A11883 a-Alanine, conf. II
524744.9268 47.7276 -3.5731 3 964.6080615 89503 303A21984 A11983 a-Alanine, conf. II
524806.2762 56.4362 -4.0012 3 1061.5748561 89503 303936033 926032 a-Alanine, conf. II
524806.2762 56.4362 -4.0012 3 1061.5748561 89503 303936034 926033 a-Alanine, conf. II
524845.0135 29.2362 -3.4786 3 889.0304561 89503 303933163 923162 a-Alanine, conf. II
524846.5650 29.2407 -3.4786 3 889.0303561 89503 303933063 923062 a-Alanine, conf. II
524980.4239 99.6240 -3.4144 3 844.6688537 89503 303893752 883751 a-Alanine, conf. II
525026.1124 6.8388 -4.1410 3 490.7395393 89503 303653827 643728 a-Alanine, conf. II
525026.1124 6.8388 -4.1410 3 490.7395393 89503 303653828 643727 a-Alanine, conf. II
525091.3471185.3228 -3.5885 3 1000.3187663 89503 303B0 7A3 A9 7A2 a-Alanine, conf. II
525091.3471185.3228 -3.5885 3 1000.3187663 89503 303B0 8A3 A9 8A2 a-Alanine, conf. II
525091.6888 38.4559 -3.5357 3 929.2899585 89503 303972572 962571 a-Alanine, conf. II
525091.6888 38.4559 -3.5357 3 929.2899585 89503 303972672 962671 a-Alanine, conf. II
525108.1089 17.3231 -4.0765 3 389.2670369 89503 303612537 602338 a-Alanine, conf. II
525146.9821 14.6454 -3.8632 3 455.5022327 89503 3035452 2 5351 3 a-Alanine, conf. II
525146.9821 14.6454 -3.8632 3 455.5022327 89503 3035452 3 5351 2 a-Alanine, conf. II
525166.9756 56.6191 -3.9732 3 1053.2495561 89503 303935934 925933 a-Alanine, conf. II
525166.9756 56.6191 -3.9732 3 1053.2495561 89503 303935935 925934 a-Alanine, conf. II
525186.3418 5.6099 -4.1107 3 371.5814357 89503 303592732 582533 a-Alanine, conf. II
525231.0004 6.5650 -4.0128 3 470.8735369 89503 303614318 604219 a-Alanine, conf. II
525231.0004 6.5650 -4.0128 3 470.8735369 89503 303614319 604218 a-Alanine, conf. II
525243.8023 58.2728 -3.6872 3 955.0141555 89503 303924844 914843 a-Alanine, conf. II
525243.8023 58.2728 -3.6872 3 955.0141555 89503 303924845 914844 a-Alanine, conf. II
525331.2278 69.9949 -3.5871 3 982.2626633 89503 303A51491 A41490 a-Alanine, conf. II
525331.2278 69.9949 -3.5871 3 982.2626633 89503 303A51591 A41590 a-Alanine, conf. II
525344.5608 3.7463 -4.1137 3 360.1103351 89503 303582732 572533 a-Alanine, conf. II
525442.7194 43.2234 -3.5637 3 953.3665603 89503 303A02179 992178 a-Alanine, conf. II
525442.7194 43.2234 -3.5637 3 953.3665603 89503 303A02279 992278 a-Alanine, conf. II
525448.2672305.7459 -3.5836 3 1008.3110681 89503 303B3 3B0 B2 3A9 a-Alanine, conf. II
525448.2672305.7459 -3.5836 3 1008.3110681 89503 303B3 4B0 B2 4A9 a-Alanine, conf. II
525480.7486 63.5250 -3.5478 3 902.5523549 89503 303914250 904249 a-Alanine, conf. II
525482.2554 63.5580 -3.5478 3 902.5524549 89503 303914249 904248 a-Alanine, conf. II
525518.4321 31.4528 -3.4968 3 901.1483567 89503 303943065 933064 a-Alanine, conf. II
525518.5143 31.4532 -3.4968 3 901.1483567 89503 303942965 932964 a-Alanine, conf. II
525549.8953 56.8336 -3.9458 3 1045.0833561 89503 303935835 925834 a-Alanine, conf. II
525549.8953 56.8336 -3.9458 3 1045.0833561 89503 303935836 925835 a-Alanine, conf. II
525581.7498 9.9112 -4.4464 3 542.1078429 89503 303713240 703139 a-Alanine, conf. II
525582.1778 8.2343 -4.1065 3 383.2525363 89503 303602733 592534 a-Alanine, conf. II
525653.4784 16.5561 -4.1313 3 357.1878357 89503 303592238 582039 a-Alanine, conf. II
525851.5716 7.4846 -4.1773 3 498.1595399 89503 303663729 653630 a-Alanine, conf. II
525851.5716 7.4846 -4.1773 3 498.1595399 89503 303663730 653629 a-Alanine, conf. II
525862.8060123.5711 -3.5940 3 996.3884651 89503 303A81098 A71097 a-Alanine, conf. II
525862.8060123.5711 -3.5940 3 996.3884651 89503 303A81198 A71197 a-Alanine, conf. II
525923.6243 9.2346 -3.9386 3 462.4918351 89503 303584711 574612 a-Alanine, conf. II
525923.6243 9.2346 -3.9386 3 462.4918351 89503 303584712 574611 a-Alanine, conf. II
525953.0777 51.9984 -3.3128 3 800.5538525 89503 303873453 863452 a-Alanine, conf. II
525957.0344 57.0834 -3.9191 3 1037.0775561 89503 303935736 925735 a-Alanine, conf. II
525957.0344 57.0834 -3.9191 3 1037.0775561 89503 303935737 925736 a-Alanine, conf. II
526006.5435 51.7013 -3.5834 3 973.7187621 89503 303A31786 A21785 a-Alanine, conf. II
526006.5435 51.7013 -3.5834 3 973.7187621 89503 303A31886 A21885 a-Alanine, conf. II
526065.5352 59.2589 -3.6660 3 948.6977555 89503 303924745 914744 a-Alanine, conf. II
526065.5352 59.2589 -3.6660 3 948.6977555 89503 303924746 914745 a-Alanine, conf. II
526206.7856 12.2347 -4.4455 3 542.0921429 89503 303713239 703140 a-Alanine, conf. II
526252.9770 40.3585 -3.5496 3 940.0369591 89503 303982474 972473 a-Alanine, conf. II
526252.9770 40.3585 -3.5496 3 940.0369591 89503 303982574 972573 a-Alanine, conf. II
526298.0540214.1157 -3.5942 3 1007.0111669 89503 303B1 6A5 B0 6A4 a-Alanine, conf. II
526298.0540214.1157 -3.5942 3 1007.0111669 89503 303B1 7A5 B0 7A4 a-Alanine, conf. II
526373.8155 33.7986 -3.5138 3 912.9648573 89503 303952967 942966 a-Alanine, conf. II
526373.8192 33.7986 -3.5138 3 912.9648573 89503 303952867 942866 a-Alanine, conf. II
526381.7681 6.2895 -4.0386 3 476.5593375 89503 303624220 614121 a-Alanine, conf. II
526381.7681 6.2895 -4.0386 3 476.5593375 89503 303624221 614120 a-Alanine, conf. II
526390.6600 57.3732 -3.8931 3 1029.2333561 89503 303935637 925636 a-Alanine, conf. II
526390.6600 57.3732 -3.8931 3 1029.2333561 89503 303935638 925637 a-Alanine, conf. II
526430.6707 13.3840 -3.8795 3 458.3881333 89503 3035551 4 5450 5 a-Alanine, conf. II
526430.6707 13.3840 -3.8795 3 458.3881333 89503 3035551 5 5450 4 a-Alanine, conf. II
526480.4048 6.6268 -4.5025 3 255.3888273 89503 303453312 443113 a-Alanine, conf. II
526480.4048 6.6268 -4.5025 3 255.3888273 89503 303453313 443114 a-Alanine, conf. II
526530.9060 8.2488 -4.2172 3 506.0013405 89503 303673632 663531 a-Alanine, conf. II
526530.9080 8.2488 -4.2172 3 506.0013405 89503 303673631 663532 a-Alanine, conf. II
526563.9443 3.4086 -4.1667 3 330.5409333 89503 303552827 542628 a-Alanine, conf. II
526583.1388 81.3556 -3.5957 3 990.4913639 89503 303A61393 A51392 a-Alanine, conf. II
526583.1388 81.3556 -3.5957 3 990.4913639 89503 303A61493 A51492 a-Alanine, conf. II
526585.9272 3.4089 -4.1667 3 330.5401333 89503 303552828 542629 a-Alanine, conf. II
526626.5391346.8960 -3.5877 3 1014.1292687 89503 303B4 2B2 B3 2B1 a-Alanine, conf. II
526626.5391346.8960 -3.5877 3 1014.1292687 89503 303B4 3B2 B3 3B1 a-Alanine, conf. II
526651.0649 70.8879 -3.4550 3 866.0766543 89503 303903853 893852 a-Alanine, conf. II
526689.5858 45.0032 -3.5755 3 963.1649609 89503 303A12081 A02080 a-Alanine, conf. II
526689.5858 45.0032 -3.5755 3 963.1649609 89503 303A12181 A02180 a-Alanine, conf. II
526715.0849 10.3673 -4.0756 3 392.0562369 89503 303612636 602437 a-Alanine, conf. II
526853.3588 57.7082 -3.8676 3 1021.5524561 89503 303935538 925537 a-Alanine, conf. II
526853.3588 57.7082 -3.8676 3 1021.5524561 89503 303935539 925538 a-Alanine, conf. II
526909.1481 10.6113 -4.3719 3 532.2861423 89503 303703338 693237 a-Alanine, conf. II
526948.1584 10.7758 -4.3718 3 532.2851423 89503 303703337 693238 a-Alanine, conf. II
526969.4257 60.4353 -3.6453 3 942.5698555 89503 303924647 914646 a-Alanine, conf. II
526969.4261 60.4353 -3.6453 3 942.5698555 89503 303924646 914645 a-Alanine, conf. II
526980.9369 59.0103 -4.4920 3 1211.7290567 89503 303947420 937419 a-Alanine, conf. II
526980.9369 59.0103 -4.4920 3 1211.7290567 89503 303947421 937420 a-Alanine, conf. II
527007.7714 9.0874 -4.2617 3 514.2838411 89503 303683534 673433 a-Alanine, conf. II
527007.8398 9.0878 -4.2617 3 514.2838411 89503 303683533 673434 a-Alanine, conf. II
527051.3135 66.5756 -3.5289 3 897.4350549 89503 303914151 904150 a-Alanine, conf. II
527062.5710 66.8039 -3.5289 3 897.4353549 89503 303914150 904149 a-Alanine, conf. II
527090.3141144.5514 -3.6010 3 1003.7445657 89503 303A9 9A0 A8 999 a-Alanine, conf. II
527090.3141144.5514 -3.6010 3 1003.7445657 89503 303A910A0 A81099 a-Alanine, conf. II
527123.4720 28.7498 -3.4095 3 850.2867543 89503 303903357 893356 a-Alanine, conf. II
527161.1756 58.9597 -4.4514 3 1201.2679567 89503 303947321 937320 a-Alanine, conf. II
527161.1756 58.9597 -4.4514 3 1201.2679567 89503 303947322 937321 a-Alanine, conf. II
527162.8179 8.3626 -3.9596 3 466.9288357 89503 303594613 584514 a-Alanine, conf. II
527162.8179 8.3626 -3.9596 3 466.9288357 89503 303594614 584513 a-Alanine, conf. II
527182.2360 2.9556 -4.3139 3 293.7167333 89503 303551540 541341 a-Alanine, conf. II
527182.3499 2.9556 -4.3139 3 293.7167333 89503 303551640 541441 a-Alanine, conf. II
527191.7044 9.9370 -4.3123 3 523.0330417 89503 303693436 683335 a-Alanine, conf. II
527193.5537 9.9453 -4.3123 3 523.0329417 89503 303693435 683336 a-Alanine, conf. II
527267.1846 57.2278 -3.5933 3 982.6178627 89503 303A41688 A31687 a-Alanine, conf. II
527267.1846 57.2278 -3.5933 3 982.6178627 89503 303A41788 A31787 a-Alanine, conf. II
527348.1011 58.0950 -3.8428 3 1014.0365561 89503 303935439 925438 a-Alanine, conf. II
527348.1011 58.0950 -3.8428 3 1014.0365561 89503 303935440 925439 a-Alanine, conf. II
527350.1314 58.9210 -4.4120 3 1190.9564567 89503 303947222 937221 a-Alanine, conf. II
527350.1314 58.9210 -4.4120 3 1190.9564567 89503 303947223 937222 a-Alanine, conf. II
527351.6379 36.1534 -3.5300 3 924.5028579 89503 303962869 952868 a-Alanine, conf. II
527351.6381 36.1534 -3.5300 3 924.5028579 89503 303962769 952768 a-Alanine, conf. II
527447.7834 42.0951 -3.5630 3 950.5493597 89503 303992376 982375 a-Alanine, conf. II
527447.7834 42.0951 -3.5630 3 950.5493597 89503 303992476 982475 a-Alanine, conf. II
527490.6050 6.2445 -4.0662 3 482.6193381 89503 303634122 624023 a-Alanine, conf. II
527490.6050 6.2445 -4.0662 3 482.6193381 89503 303634123 624022 a-Alanine, conf. II
527496.7272246.1233 -3.5996 3 1013.4954675 89503 303B2 5A7 B1 5A6 a-Alanine, conf. II
527496.7272246.1233 -3.5996 3 1013.4954675 89503 303B2 6A7 B1 6A6 a-Alanine, conf. II
527548.3332 58.8947 -4.3738 3 1180.7950567 89503 303947123 937122 a-Alanine, conf. II
527548.3332 58.8947 -4.3738 3 1180.7950567 89503 303947124 937123 a-Alanine, conf. II
527707.9779 12.1873 -3.8967 3 461.6194339 89503 3035650 6 5549 7 a-Alanine, conf. II
527707.9779 12.1873 -3.8967 3 461.6194339 89503 3035650 7 5549 6 a-Alanine, conf. II
527756.3547 58.8816 -4.3368 3 1170.7841567 89503 303947024 937023 a-Alanine, conf. II
527756.3547 58.8816 -4.3368 3 1170.7841567 89503 303947025 937024 a-Alanine, conf. II
527797.7878391.8844 -3.5915 3 1019.7376693 89503 303B5 1B4 B4 1B3 a-Alanine, conf. II
527797.7878391.8844 -3.5915 3 1019.7376693 89503 303B5 2B4 B4 2B3 a-Alanine, conf. II
527803.2752 87.7128 -3.4530 3 866.1183543 89503 303903852 893851 a-Alanine, conf. II
527828.8865 95.1869 -3.6039 3 998.5118645 89503 303A71295 A61294 a-Alanine, conf. II
527828.8865 95.1869 -3.6039 3 998.5118645 89503 303A71395 A61394 a-Alanine, conf. II
527878.3231 58.5415 -3.8186 3 1006.6875561 89503 303935340 925339 a-Alanine, conf. II
527878.3231 58.5415 -3.8186 3 1006.6875561 89503 303935341 925340 a-Alanine, conf. II
527908.8958 5.5905 -4.4110 3 268.3458285 89503 303473215 463016 a-Alanine, conf. II
527908.8958 5.5905 -4.4110 3 268.3458285 89503 303473216 463017 a-Alanine, conf. II
527943.7249 47.2516 -3.5868 3 972.7457615 89503 303A21983 A11982 a-Alanine, conf. II
527943.7249 47.2516 -3.5868 3 972.7457615 89503 303A22083 A12082 a-Alanine, conf. II
527958.8420 34.3559 -3.4176 3 854.3432543 89503 303903556 893555 a-Alanine, conf. II
527969.4706 19.4128 -4.1139 3 371.6558363 89503 303602338 592139 a-Alanine, conf. II
527970.6115 61.8558 -3.6251 3 936.6360555 89503 303924548 914547 a-Alanine, conf. II
527970.6166 61.8560 -3.6251 3 936.6360555 89503 303924547 914546 a-Alanine, conf. II
527974.8195 58.8824 -4.3008 3 1160.9241567 89503 303946925 936924 a-Alanine, conf. II
527974.8195 58.8824 -4.3008 3 1160.9241567 89503 303946926 936925 a-Alanine, conf. II
528169.8098 43.1793 -4.0227 3 471.9269405 89503 303672740 662541 a-Alanine, conf. II
528204.4068 58.8979 -4.2659 3 1151.2157567 89503 303946826 936825 a-Alanine, conf. II
528204.4068 58.8979 -4.2659 3 1151.2157567 89503 303946827 936826 a-Alanine, conf. II
528304.2026 1.5443 -4.4060 3 276.0944327 89503 303541341 531142 a-Alanine, conf. II
528304.2041 1.5443 -4.4060 3 276.0944327 89503 303541441 531242 a-Alanine, conf. II
528309.8987168.3949 -3.6076 3 1010.8931663 89503 303B0 8A2 A9 8A1 a-Alanine, conf. II
528309.8987168.3949 -3.6076 3 1010.8931663 89503 303B0 9A2 A9 9A1 a-Alanine, conf. II
528383.9506 7.6202 -3.9817 3 471.7229363 89503 303604515 594416 a-Alanine, conf. II
528383.9506 7.6202 -3.9817 3 471.7229363 89503 303604516 594415 a-Alanine, conf. II
528414.6016 38.4190 -3.5454 3 935.7788585 89503 303972771 962770 a-Alanine, conf. II
528414.6017 38.4190 -3.5454 3 935.7788585 89503 303972671 962670 a-Alanine, conf. II
528445.8582 58.9291 -4.2319 3 1141.6593567 89503 303946727 936726 a-Alanine, conf. II
528445.8582 58.9291 -4.2319 3 1141.6593567 89503 303946728 936727 a-Alanine, conf. II
528448.0317 59.0574 -3.7950 3 999.5076561 89503 303935241 925240 a-Alanine, conf. II
528448.0317 59.0574 -3.7950 3 999.5076561 89503 303935242 925241 a-Alanine, conf. II
528525.0169 64.6683 -3.6028 3 991.3065633 89503 303A51590 A41589 a-Alanine, conf. II
528525.0169 64.6683 -3.6028 3 991.3065633 89503 303A51690 A41689 a-Alanine, conf. II
528545.8638 6.4338 -4.0956 3 489.0603387 89503 303644024 633925 a-Alanine, conf. II
528545.8638 6.4338 -4.0956 3 489.0603387 89503 303644025 633924 a-Alanine, conf. II
528577.9876 4.0321 -4.1066 3 371.4616357 89503 303592733 582534 a-Alanine, conf. II
528592.4987 27.0908 -3.4624 3 881.2347555 89503 303923360 913359 a-Alanine, conf. II
528618.9525 8.5065 -4.2106 3 325.2684345 89503 303571839 561640 a-Alanine, conf. II
528641.8458 8.4821 -4.2106 3 325.2685345 89503 303571939 561740 a-Alanine, conf. II
528666.3162 43.7284 -3.5759 3 960.8333603 89503 303A02278 992277 a-Alanine, conf. II
528666.3162 43.7284 -3.5759 3 960.8333603 89503 303A02378 992377 a-Alanine, conf. II
528674.7291 66.5105 -3.4381 3 861.9734543 89503 303903754 893753 a-Alanine, conf. II
528679.4987 3.5342 -4.2160 3 313.3438321 89503 303532924 522725 a-Alanine, conf. II
528679.8183 3.5342 -4.2160 3 313.3438321 89503 303532925 522726 a-Alanine, conf. II
528687.5783281.5131 -3.6045 3 1019.7712681 89503 303B3 4A9 B2 4A8 a-Alanine, conf. II
528687.5783281.5131 -3.6045 3 1019.7712681 89503 303B3 5A9 B2 5A8 a-Alanine, conf. II
528696.7030 28.9192 -3.4836 3 894.0711561 89503 303933262 923261 a-Alanine, conf. II
528699.9852 58.9772 -4.1988 3 1132.2557567 89503 303946628 936627 a-Alanine, conf. II
528699.9852 58.9772 -4.1988 3 1132.2557567 89503 303946629 936628 a-Alanine, conf. II
528708.4174 28.9418 -3.4836 3 894.0704561 89503 303933162 923161 a-Alanine, conf. II
528745.9647 27.2188 -3.4621 3 881.2244555 89503 303923260 913259 a-Alanine, conf. II
528778.1842 26.1725 -3.4394 3 867.9785549 89503 303913458 903457 a-Alanine, conf. II
528892.8549 70.3921 -3.5102 3 892.5636549 89503 303914052 904051 a-Alanine, conf. II
528899.7350 4.6856 -4.3356 3 282.3012297 89503 303493118 482919 a-Alanine, conf. II
528899.7351 4.6856 -4.3356 3 282.3012297 89503 303493119 482920 a-Alanine, conf. II
528962.5102440.9124 -3.5948 3 1025.1359699 89503 303B6 0B6 B5 0B5 a-Alanine, conf. II
528962.5102440.9124 -3.5948 3 1025.1359699 89503 303B6 1B6 B5 1B5 a-Alanine, conf. II
528967.6326 71.7826 -3.5101 3 892.5659549 89503 303914051 904050 a-Alanine, conf. II
528967.6781 59.0433 -4.1665 3 1123.0053567 89503 303946529 936528 a-Alanine, conf. II
528967.6781 59.0433 -4.1665 3 1123.0053567 89503 303946530 936529 a-Alanine, conf. II
528977.2528 11.0624 -3.9148 3 465.1979345 89503 3035749 8 5648 9 a-Alanine, conf. II
528977.2528 11.0624 -3.9148 3 465.1979345 89503 3035749 9 5648 8 a-Alanine, conf. II
529061.9442 59.6547 -3.7719 3 992.4993561 89503 303935142 925141 a-Alanine, conf. II
529061.9442 59.6547 -3.7719 3 992.4993561 89503 303935143 925142 a-Alanine, conf. II
529067.7997111.6103 -3.6117 3 1006.3244651 89503 303A81197 A71196 a-Alanine, conf. II
529067.7997111.6103 -3.6117 3 1006.3244651 89503 303A81297 A71296 a-Alanine, conf. II
529089.0961 63.5978 -3.6053 3 930.9036555 89503 303924449 914448 a-Alanine, conf. II
529089.1448 63.5990 -3.6053 3 930.9036555 89503 303924448 914447 a-Alanine, conf. II
529169.5881 31.0322 -3.5031 3 906.5373567 89503 303943164 933163 a-Alanine, conf. II
529170.3047 31.0346 -3.5031 3 906.5373567 89503 303943064 933063 a-Alanine, conf. II
529201.5567 50.3282 -3.5977 3 982.1116621 89503 303A31885 A21884 a-Alanine, conf. II
529201.5567 50.3282 -3.5977 3 982.1116621 89503 303A31985 A21984 a-Alanine, conf. II
529249.9164 59.1291 -4.1352 3 1113.9090567 89503 303946430 936429 a-Alanine, conf. II
529249.9164 59.1291 -4.1352 3 1113.9090567 89503 303946431 936430 a-Alanine, conf. II
529261.5146 3.9728 -4.2715 3 297.2860309 89503 303513021 502822 a-Alanine, conf. II
529261.5173 3.9728 -4.2715 3 297.2860309 89503 303513022 502823 a-Alanine, conf. II
529350.9244 46.4518 -4.1078 3 413.0664381 89503 303632439 622240 a-Alanine, conf. II
529418.9751 51.8569 -3.4250 3 858.1098543 89503 303903655 893654 a-Alanine, conf. II
529443.0359 15.7193 -3.8614 3 462.8947327 89503 3035453 1 5352 2 a-Alanine, conf. II
529443.0359 15.7193 -3.8614 3 462.8947327 89503 3035453 2 5352 1 a-Alanine, conf. II
529521.4884195.2376 -3.6138 3 1017.8338669 89503 303B1 7A4 B0 7A3 a-Alanine, conf. II
529521.4884195.2376 -3.6138 3 1017.8338669 89503 303B1 8A4 B0 8A3 a-Alanine, conf. II
529532.0714 6.8389 -4.1274 3 495.8905393 89503 303653926 643827 a-Alanine, conf. II
529532.0714 6.8389 -4.1274 3 495.8905393 89503 303653927 643826 a-Alanine, conf. II
529537.9941 40.5300 -3.5601 3 946.8051591 89503 303982573 972572 a-Alanine, conf. II
529537.9941 40.5300 -3.5601 3 946.8051591 89503 303982673 972672 a-Alanine, conf. II
529547.7810 59.2362 -4.1046 3 1104.9675567 89503 303946331 936330 a-Alanine, conf. II
529547.7810 59.2362 -4.1046 3 1104.9675567 89503 303946332 936331 a-Alanine, conf. II
529582.3865 7.0384 -4.0051 3 476.8779369 89503 303614417 604318 a-Alanine, conf. II
529582.3865 7.0384 -4.0051 3 476.8779369 89503 303614418 604317 a-Alanine, conf. II
529725.6724 60.3488 -3.7494 3 985.6654561 89503 303935043 925042 a-Alanine, conf. II
529725.6724 60.3488 -3.7494 3 985.6654561 89503 303935044 925043 a-Alanine, conf. II
529760.8259 9.3636 -4.4838 3 555.9719435 89503 303723241 713140 a-Alanine, conf. II
529778.6076 74.3051 -3.6120 3 999.7858639 89503 303A61492 A51491 a-Alanine, conf. II
529778.6076 74.3051 -3.6120 3 999.7858639 89503 303A61592 A51591 a-Alanine, conf. II
529862.4682 59.3665 -4.0747 3 1096.1816567 89503 303946232 936231 a-Alanine, conf. II
529862.4682 59.3665 -4.0747 3 1096.1816567 89503 303946233 936232 a-Alanine, conf. II
529870.9056320.4631 -3.6091 3 1025.8381687 89503 303B4 3B1 B3 3B0 a-Alanine, conf. II
529870.9056320.4631 -3.6091 3 1025.8381687 89503 303B4 4B1 B3 4B0 a-Alanine, conf. II
529891.9796 33.3667 -3.5212 3 918.6777573 89503 303953066 943065 a-Alanine, conf. II
529892.0160 33.3669 -3.5212 3 918.6777573 89503 303952966 942965 a-Alanine, conf. II
529901.2365 45.3882 -3.5883 3 970.8934609 89503 303A12180 A02179 a-Alanine, conf. II
529901.2365 45.3882 -3.5883 3 970.8934609 89503 303A12280 A02279 a-Alanine, conf. II
530195.3072 59.5223 -4.0457 3 1087.5522567 89503 303946133 936132 a-Alanine, conf. II
530195.3072 59.5223 -4.0457 3 1087.5522567 89503 303946134 936133 a-Alanine, conf. II
530236.4431 10.0198 -3.9340 3 469.1261351 89503 303584810 574711 a-Alanine, conf. II
530236.4431 10.0198 -3.9340 3 469.1261351 89503 303584811 574710 a-Alanine, conf. II
530269.2710 27.6938 -3.4365 3 867.8696549 89503 303913358 903357 a-Alanine, conf. II
530299.4028130.7383 -3.6192 3 1013.9293657 89503 303A91099 A81098 a-Alanine, conf. II
530299.4028130.7383 -3.6192 3 1013.9293657 89503 303A91199 A81198 a-Alanine, conf. II
530352.1600 65.7756 -3.5858 3 925.3814555 89503 303924350 914349 a-Alanine, conf. II
530352.5861 65.7859 -3.5858 3 925.3814555 89503 303924349 914348 a-Alanine, conf. II
530428.2335 7.4265 -4.1617 3 503.1200399 89503 303663828 653729 a-Alanine, conf. II
530428.2335 7.4265 -4.1617 3 503.1200399 89503 303663829 653728 a-Alanine, conf. II
530445.9752 61.1590 -3.7274 3 979.0091561 89503 303934944 924943 a-Alanine, conf. II
530445.9752 61.1590 -3.7274 3 979.0091561 89503 303934945 924944 a-Alanine, conf. II
530460.2779 54.6440 -3.6082 3 991.2644627 89503 303A41787 A31786 a-Alanine, conf. II
530460.2779 54.6440 -3.6082 3 991.2644627 89503 303A41887 A31886 a-Alanine, conf. II
530493.9692 3.5352 -4.1569 3 341.1907339 89503 303562828 552629 a-Alanine, conf. II
530546.8395 3.5377 -4.1569 3 341.1888339 89503 303562829 552630 a-Alanine, conf. II
530547.7801 59.7062 -4.0173 3 1079.0804567 89503 303946034 936033 a-Alanine, conf. II
530547.7801 59.7062 -4.0173 3 1079.0804567 89503 303946035 936034 a-Alanine, conf. II
530575.8143 28.8055 -3.3379 3 818.0977531 89503 303883454 873453 a-Alanine, conf. II
530686.8603 99.4384 -3.3454 3 820.6080531 89503 303883553 873552 a-Alanine, conf. II
530700.3373 21.3188 -4.0992 3 386.3000369 89503 303612438 602239 a-Alanine, conf. II
530704.6717 42.4592 -3.5742 3 957.5908597 89503 303992475 982474 a-Alanine, conf. II
530704.6717 42.4592 -3.5742 3 957.5908597 89503 303992575 982574 a-Alanine, conf. II
530725.1272225.2278 -3.6196 3 1024.5665675 89503 303B2 6A6 B1 6A5 a-Alanine, conf. II
530725.1272225.2278 -3.6196 3 1024.5665675 89503 303B2 7A6 B1 7A5 a-Alanine, conf. II
530728.7743 14.4015 -3.8772 3 465.6301333 89503 3035552 3 5451 4 a-Alanine, conf. II
530728.7743 14.4015 -3.8772 3 465.6301333 89503 3035552 4 5451 3 a-Alanine, conf. II
530752.2494 6.6518 -4.0300 3 482.3984375 89503 303624319 614220 a-Alanine, conf. II
530752.2494 6.6518 -4.0300 3 482.3984375 89503 303624320 614219 a-Alanine, conf. II
530778.1226 35.8040 -3.5384 3 930.5227579 89503 303962968 952967 a-Alanine, conf. II
530778.1241 35.8041 -3.5384 3 930.5227579 89503 303962868 952867 a-Alanine, conf. II
530921.5462 59.9215 -3.9896 3 1070.7672567 89503 303945935 935934 a-Alanine, conf. II
530921.5462 59.9215 -3.9896 3 1070.7672567 89503 303945936 935935 a-Alanine, conf. II
531026.8488 86.3428 -3.6207 3 1008.0562645 89503 303A71394 A61393 a-Alanine, conf. II
531026.8488 86.3428 -3.6207 3 1008.0562645 89503 303A71494 A61493 a-Alanine, conf. II
531035.0800 74.2286 -3.4918 3 887.9599549 89503 303913953 903952 a-Alanine, conf. II
531047.0873363.1604 -3.6134 3 1031.6955693 89503 303B5 2B3 B4 2B2 a-Alanine, conf. II
531047.0873363.1604 -3.6134 3 1031.6955693 89503 303B5 3B3 B4 3B2 a-Alanine, conf. II
531065.3397 14.1048 -4.4820 3 555.9393435 89503 303723240 713141 a-Alanine, conf. II
531146.9481 47.2851 -3.6003 3 980.7333615 89503 303A22082 A12081 a-Alanine, conf. II
531146.9481 47.2851 -3.6003 3 980.7333615 89503 303A22182 A12181 a-Alanine, conf. II
531197.9021 60.6826 -4.0681 3 456.3097399 89503 303662640 652441 a-Alanine, conf. II
531205.0764 8.1575 -4.1991 3 510.7612405 89503 303673731 663630 a-Alanine, conf. II
531205.0765 8.1575 -4.1991 3 510.7612405 89503 303673730 663631 a-Alanine, conf. II
531231.1097 62.1109 -3.7059 3 972.5343561 89503 303934845 924844 a-Alanine, conf. II
531231.1097 62.1109 -3.7059 3 972.5343561 89503 303934846 924845 a-Alanine, conf. II
531318.4720 60.1716 -3.9626 3 1062.6138567 89503 303945836 935835 a-Alanine, conf. II
531318.4720 60.1716 -3.9626 3 1062.6138567 89503 303945837 935836 a-Alanine, conf. II
531466.9312 81.4693 -3.4911 3 887.9743549 89503 303913952 903951 a-Alanine, conf. II
531482.9949 9.0752 -3.9543 3 473.4065357 89503 303594712 584613 a-Alanine, conf. II
531482.9949 9.0752 -3.9543 3 473.4065357 89503 303594713 584612 a-Alanine, conf. II
531523.3876152.6876 -3.6263 3 1021.3264663 89503 303B0 9A1 A9 9A0 a-Alanine, conf. II
531523.3876152.6876 -3.6263 3 1021.3264663 89503 303B010A1 A910A0 a-Alanine, conf. II
531717.6871 60.6098 -3.6183 3 1000.2055633 89503 303A51689 A41688 a-Alanine, conf. II
531717.6871 60.6098 -3.6183 3 1000.2055633 89503 303A51789 A41788 a-Alanine, conf. II
531740.6673 60.4609 -3.9362 3 1054.6215567 89503 303945737 935736 a-Alanine, conf. II
531740.6673 60.4609 -3.9362 3 1054.6215567 89503 303945738 935737 a-Alanine, conf. II
531755.8020 6.4778 -4.4723 3 263.9075279 89503 303463313 453114 a-Alanine, conf. II
531755.8020 6.4778 -4.4723 3 263.9075279 89503 303463314 453115 a-Alanine, conf. II
531763.5020 11.2598 -4.4026 3 545.8563429 89503 303713339 703238 a-Alanine, conf. II
531775.6822 38.2251 -3.5546 3 942.0934585 89503 303972870 962869 a-Alanine, conf. II
531775.6823 38.2251 -3.5546 3 942.0934585 89503 303972770 962769 a-Alanine, conf. II
531798.0403 68.5560 -3.5668 3 920.0805555 89503 303924251 914250 a-Alanine, conf. II
531801.4216 68.6319 -3.5668 3 920.0806555 89503 303924250 914249 a-Alanine, conf. II
531814.3996 4.5164 -4.2802 3 307.5290339 89503 303561640 551441 a-Alanine, conf. II
531814.9449 4.5159 -4.2802 3 307.5290339 89503 303561740 551541 a-Alanine, conf. II
531820.2860 8.9912 -4.2403 3 518.8302411 89503 303683633 673532 a-Alanine, conf. II
531820.2918 8.9913 -4.2403 3 518.8302411 89503 303683632 673533 a-Alanine, conf. II
531852.8292 11.6466 -4.4024 3 545.8540429 89503 303713338 703239 a-Alanine, conf. II
531879.1154 4.5263 -4.1003 3 383.0278363 89503 303602734 592535 a-Alanine, conf. II
531886.0265 6.4904 -4.0565 3 488.2893381 89503 303634221 624122 a-Alanine, conf. II
531886.0265 6.4904 -4.0565 3 488.2893381 89503 303634222 624121 a-Alanine, conf. II
531902.3179 44.2257 -3.5877 3 968.1431603 89503 303A02377 992376 a-Alanine, conf. II
531902.3179 44.2257 -3.5877 3 968.1431603 89503 303A02477 992476 a-Alanine, conf. II
531920.9624258.5258 -3.6251 3 1031.0908681 89503 303B3 5A8 B2 5A7 a-Alanine, conf. II
531920.9624258.5258 -3.6251 3 1031.0908681 89503 303B3 6A8 B2 6A7 a-Alanine, conf. II
532008.8320 13.1469 -3.8939 3 468.7098339 89503 3035651 5 5550 6 a-Alanine, conf. II
532008.8320 13.1469 -3.8939 3 468.7098339 89503 3035651 6 5550 5 a-Alanine, conf. II
532059.1591 11.1611 -4.1869 3 339.4373351 89503 303581939 571740 a-Alanine, conf. II
532091.3341 63.2384 -3.6849 3 966.2454561 89503 303934747 924746 a-Alanine, conf. II
532091.3342 63.2384 -3.6849 3 966.2454561 89503 303934746 924745 a-Alanine, conf. II
532144.8892 11.0573 -4.1868 3 339.4374351 89503 303582039 571840 a-Alanine, conf. II
532190.5301 60.7945 -3.9105 3 1046.7918567 89503 303945638 935637 a-Alanine, conf. II
532190.5301 60.7945 -3.9105 3 1046.7918567 89503 303945639 935638 a-Alanine, conf. II
532209.5620 9.8803 -4.2865 3 527.3476417 89503 303693535 683434 a-Alanine, conf. II
532209.7458 9.8812 -4.2865 3 527.3476417 89503 303693534 683435 a-Alanine, conf. II
532216.5765409.8015 -3.6172 3 1037.3430699 89503 303B6 1B5 B5 1B4 a-Alanine, conf. II
532216.5765409.8015 -3.6172 3 1037.3430699 89503 303B6 2B5 B5 2B4 a-Alanine, conf. II
532266.3963 10.7429 -4.3395 3 536.3421423 89503 303703437 693336 a-Alanine, conf. II
532268.8997100.9307 -3.6291 3 1016.1183651 89503 303A81296 A71295 a-Alanine, conf. II
532268.8997100.9307 -3.6291 3 1016.1183651 89503 303A81396 A71395 a-Alanine, conf. II
532270.9911 10.7645 -4.3395 3 536.3420423 89503 303703436 693337 a-Alanine, conf. II
532325.7828125.3541 -3.3873 3 841.1288537 89503 303893653 883652 a-Alanine, conf. II
532399.1280 49.7178 -3.6118 3 990.3561621 89503 303A31984 A21983 a-Alanine, conf. II
532399.1280 49.7178 -3.6118 3 990.3561621 89503 303A32084 A22083 a-Alanine, conf. II
532601.6479 62.1610 -4.5004 3 1229.3072573 89503 303957421 947420 a-Alanine, conf. II
532601.6479 62.1610 -4.5004 3 1229.3072573 89503 303957422 947421 a-Alanine, conf. II
532647.6818 31.5310 -3.4416 3 871.9541549 89503 303913557 903556 a-Alanine, conf. II
532670.8026 61.1786 -3.8853 3 1039.1264567 89503 303945539 935538 a-Alanine, conf. II
532670.8026 61.1786 -3.8853 3 1039.1264567 89503 303945540 935539 a-Alanine, conf. II
532713.7221 8.2503 -3.9757 3 478.0421363 89503 303604614 594515 a-Alanine, conf. II
532713.7221 8.2503 -3.9757 3 478.0421363 89503 303604615 594514 a-Alanine, conf. II
532739.5910177.5852 -3.6331 3 1028.5156669 89503 303B1 8A3 B0 8A2 a-Alanine, conf. II
532739.5910177.5852 -3.6331 3 1028.5156669 89503 303B1 9A3 B0 9A2 a-Alanine, conf. II
532758.9339 28.7056 -3.4876 3 898.8666561 89503 303933361 923360 a-Alanine, conf. II
532788.0403 62.1234 -4.4607 3 1218.8521573 89503 303957322 947321 a-Alanine, conf. II
532788.0403 62.1234 -4.4607 3 1218.8521573 89503 303957323 947322 a-Alanine, conf. II
532837.1894 28.7908 -3.4875 3 898.8615561 89503 303933261 923260 a-Alanine, conf. II
532851.3383 40.5366 -3.5701 3 953.4048591 89503 303982672 972671 a-Alanine, conf. II
532851.3383 40.5366 -3.5701 3 953.4048591 89503 303982772 972771 a-Alanine, conf. II
532928.7712 27.2513 -3.4647 3 885.6167555 89503 303923459 913458 a-Alanine, conf. II
532963.1118 30.6721 -3.5086 3 911.7066567 89503 303943263 933262 a-Alanine, conf. II
532968.7300 30.6854 -3.5086 3 911.7062567 89503 303943163 933162 a-Alanine, conf. II
532972.0571 68.5833 -3.6280 3 1008.9362639 89503 303A61591 A51590 a-Alanine, conf. II
532972.0571 68.5833 -3.6280 3 1008.9362639 89503 303A61691 A51690 a-Alanine, conf. II
532974.0060 6.5688 -4.0848 3 494.5569387 89503 303644123 634024 a-Alanine, conf. II
532974.0060 6.5688 -4.0848 3 494.5569387 89503 303644124 634023 a-Alanine, conf. II
532983.4480 62.0985 -4.4223 3 1208.5469573 89503 303957223 947222 a-Alanine, conf. II
532983.4480 62.0985 -4.4223 3 1208.5469573 89503 303957224 947223 a-Alanine, conf. II
533039.6511 64.5877 -3.6644 3 960.1476561 89503 303934648 924647 a-Alanine, conf. II
533039.6523 64.5878 -3.6644 3 960.1476561 89503 303934647 924646 a-Alanine, conf. II
533073.3474 5.4560 -4.3874 3 277.2686291 89503 303483216 473017 a-Alanine, conf. II
533073.3474 5.4560 -4.3874 3 277.2686291 89503 303483217 473018 a-Alanine, conf. II
533109.2349295.3026 -3.6303 3 1037.4064687 89503 303B4 4B0 B3 4A9 a-Alanine, conf. II
533109.2349295.3026 -3.6303 3 1037.4064687 89503 303B4 5B0 B3 5A9 a-Alanine, conf. II
533121.8428 45.9049 -3.6008 3 978.4677609 89503 303A12279 A02278 a-Alanine, conf. II
533121.8428 45.9049 -3.6008 3 978.4677609 89503 303A12379 A02378 a-Alanine, conf. II
533155.4585 3.5806 -4.2037 3 323.5355327 89503 303542925 532726 a-Alanine, conf. II
533156.3386 3.5805 -4.2037 3 323.5355327 89503 303542926 532727 a-Alanine, conf. II
533184.6419 61.6206 -3.8608 3 1031.6270567 89503 303945440 935439 a-Alanine, conf. II
533184.6419 61.6206 -3.8608 3 1031.6270567 89503 303945441 935440 a-Alanine, conf. II
533188.4208 62.0867 -4.3849 3 1198.3921573 89503 303957124 947123 a-Alanine, conf. II
533188.4208 62.0867 -4.3849 3 1198.3921573 89503 303957125 947124 a-Alanine, conf. II
533246.3285 14.3952 -4.0791 3 404.0022375 89503 303622637 612438 a-Alanine, conf. II
533281.7616 11.9616 -3.9115 3 472.1357345 89503 3035750 7 5649 8 a-Alanine, conf. II
533281.7616 11.9616 -3.9115 3 472.1357345 89503 3035750 8 5649 7 a-Alanine, conf. II
533303.7129 74.7056 -3.4739 3 883.6438549 89503 303913854 903853 a-Alanine, conf. II
533331.6482120.0998 -3.4299 3 862.1802543 89503 303903753 893752 a-Alanine, conf. II
533379.8961460.5909 -3.6207 3 1042.7802705 89503 303B7 0B7 B6 0B6 a-Alanine, conf. II
533379.8961460.5909 -3.6207 3 1042.7802705 89503 303B7 1B7 B6 1B6 a-Alanine, conf. II
533403.5557 62.0889 -4.3486 3 1188.3881573 89503 303957025 947024 a-Alanine, conf. II
533403.5557 62.0889 -4.3486 3 1188.3881573 89503 303957026 947025 a-Alanine, conf. II
533447.0215 1.8196 -4.3634 3 289.7351333 89503 303551441 541242 a-Alanine, conf. II
533447.0301 1.8196 -4.3634 3 289.7351333 89503 303551541 541342 a-Alanine, conf. II
533479.3879 72.1269 -3.5480 3 915.0155555 89503 303924152 914151 a-Alanine, conf. II
533503.4693 72.6257 -3.5479 3 915.0162555 89503 303924151 914150 a-Alanine, conf. II
533504.1430118.1901 -3.6371 3 1023.9722657 89503 303A91198 A81197 a-Alanine, conf. II
533504.1430118.1901 -3.6371 3 1023.9722657 89503 303A91298 A81297 a-Alanine, conf. II
533505.6974 32.9201 -3.5280 3 924.1885573 89503 303953165 943164 a-Alanine, conf. II
533506.0248 32.9214 -3.5280 3 924.1885573 89503 303953065 943064 a-Alanine, conf. II
533629.5018 62.1060 -4.3133 3 1178.5355573 89503 303956926 946925 a-Alanine, conf. II
533629.5018 62.1060 -4.3133 3 1178.5355573 89503 303956927 946926 a-Alanine, conf. II
533654.4056 53.0636 -3.6228 3 999.7639627 89503 303A41886 A31885 a-Alanine, conf. II
533654.4056 53.0636 -3.6228 3 999.7639627 89503 303A41986 A31985 a-Alanine, conf. II
533735.7110 62.1296 -3.8368 3 1024.2957567 89503 303945341 935340 a-Alanine, conf. II
533735.7110 62.1296 -3.8368 3 1024.2957567 89503 303945342 935341 a-Alanine, conf. II
533737.9328 16.8419 -3.8601 3 470.4338327 89503 3035454 0 5353 1 a-Alanine, conf. II
533737.9328 16.8419 -3.8601 3 470.4338327 89503 3035454 1 5353 0 a-Alanine, conf. II
533762.2800 27.9379 -3.4631 3 885.5575555 89503 303923359 913358 a-Alanine, conf. II
533795.9909 23.6337 -3.3674 3 835.7958537 89503 303893455 883454 a-Alanine, conf. II
533866.9669 62.1388 -4.2790 3 1168.8347573 89503 303956827 946826 a-Alanine, conf. II
533866.9669 62.1388 -4.2790 3 1168.8347573 89503 303956828 946827 a-Alanine, conf. II
533912.2865 4.5837 -4.3167 3 291.6356303 89503 303503119 492920 a-Alanine, conf. II
533912.2865 4.5837 -4.3167 3 291.6356303 89503 303503120 492921 a-Alanine, conf. II
533924.6341 7.5736 -3.9984 3 483.0364369 89503 303614516 604417 a-Alanine, conf. II
533924.6341 7.5736 -3.9984 3 483.0364369 89503 303614517 604416 a-Alanine, conf. II
533947.9769205.5702 -3.6394 3 1035.4968675 89503 303B2 7A5 B1 7A4 a-Alanine, conf. II
533947.9769205.5702 -3.6394 3 1035.4968675 89503 303B2 8A5 B1 8A4 a-Alanine, conf. II
533982.6974 42.6799 -3.5849 3 964.4685597 89503 303992574 982573 a-Alanine, conf. II
533982.6974 42.6799 -3.5849 3 964.4685597 89503 303992674 982673 a-Alanine, conf. II
534003.4553 6.8792 -4.1151 3 501.2084393 89503 303654025 643926 a-Alanine, conf. II
534003.4553 6.8792 -4.1151 3 501.2084393 89503 303654026 643925 a-Alanine, conf. II
534013.0355 2.4304 -4.4651 3 271.9224327 89503 303541242 531043 a-Alanine, conf. II
534013.0356 2.4304 -4.4651 3 271.9224327 89503 303541342 531143 a-Alanine, conf. II
534059.1160 3.9316 -4.2563 3 307.0420315 89503 303523022 512823 a-Alanine, conf. II
534059.1245 3.9316 -4.2563 3 307.0420315 89503 303523023 512824 a-Alanine, conf. II
534092.9466 66.2243 -3.6443 3 954.2472561 89503 303934549 924548 a-Alanine, conf. II
534092.9593 66.2246 -3.6443 3 954.2472561 89503 303934548 924547 a-Alanine, conf. II
534116.7240 62.1885 -4.2456 3 1159.2864573 89503 303956728 946727 a-Alanine, conf. II
534116.7240 62.1885 -4.2456 3 1159.2864573 89503 303956729 946728 a-Alanine, conf. II
534217.0947 3.6836 -4.1482 3 352.0559345 89503 303572829 562630 a-Alanine, conf. II
534222.0418 78.8410 -3.6373 3 1017.4573645 89503 303A71493 A61492 a-Alanine, conf. II
534222.0418 78.8410 -3.6373 3 1017.4573645 89503 303A71593 A61592 a-Alanine, conf. II
534271.3839 35.3695 -3.5461 3 936.3530579 89503 303963067 953066 a-Alanine, conf. II
534271.3999 35.3696 -3.5461 3 936.3530579 89503 303962967 952966 a-Alanine, conf. II
534290.2711335.7394 -3.6350 3 1043.5127693 89503 303B5 3B2 B4 3B1 a-Alanine, conf. II
534290.2711335.7394 -3.6350 3 1043.5127693 89503 303B5 4B2 B4 4B1 a-Alanine, conf. II
534328.2960 62.7168 -3.8135 3 1017.1348567 89503 303945242 935241 a-Alanine, conf. II
534328.2960 62.7168 -3.8135 3 1017.1348567 89503 303945243 935242 a-Alanine, conf. II
534339.9931 3.6898 -4.1480 3 352.0517345 89503 303572830 562631 a-Alanine, conf. II
534356.3966 47.6431 -3.6133 3 988.5690615 89503 303A22181 A12180 a-Alanine, conf. II
534356.3966 47.6431 -3.6133 3 988.5690615 89503 303A22281 A12280 a-Alanine, conf. II
534379.6200 62.2565 -4.2131 3 1149.8912573 89503 303956629 946628 a-Alanine, conf. II
534379.6200 62.2565 -4.2131 3 1149.8912573 89503 303956630 946629 a-Alanine, conf. II
534545.7683 10.8548 -3.9300 3 475.9099351 89503 3035849 9 574810 a-Alanine, conf. II
534545.7683 10.8548 -3.9300 3 475.9099351 89503 303584910 5748 9 a-Alanine, conf. II
534656.5845 62.3440 -4.1813 3 1140.6498573 89503 303956530 946529 a-Alanine, conf. II
534656.5845 62.3440 -4.1813 3 1140.6498573 89503 303956531 946530 a-Alanine, conf. II
534724.8899 21.3805 -4.0892 3 401.1178375 89503 303622538 612339 a-Alanine, conf. II
534732.1503138.2353 -3.6448 3 1031.6181663 89503 303B010A0 A91099 a-Alanine, conf. II
534732.1503138.2353 -3.6448 3 1031.6181663 89503 303B011A0 A91199 a-Alanine, conf. II
534902.4633 14.4535 -4.1662 3 353.8031357 89503 303592039 581840 a-Alanine, conf. II
534910.1383 57.7447 -3.6335 3 1008.9586633 89503 303A51788 A41787 a-Alanine, conf. II
534910.1383 57.7447 -3.6335 3 1008.9586633 89503 303A51888 A41887 a-Alanine, conf. II
534948.6416 62.4527 -4.1504 3 1131.5629573 89503 303956431 946430 a-Alanine, conf. II
534948.6416 62.4527 -4.1504 3 1131.5629573 89503 303956432 946431 a-Alanine, conf. II
534954.1601 11.8794 -4.0539 3 474.0285405 89503 303672839 662640 a-Alanine, conf. II
534957.3824 7.3945 -4.1476 3 508.2525399 89503 303663927 653828 a-Alanine, conf. II
534957.3824 7.3945 -4.1476 3 508.2525399 89503 303663928 653827 a-Alanine, conf. II
534957.7893 47.4525 -3.4470 3 875.7693549 89503 303913656 903655 a-Alanine, conf. II
534967.4618 63.3962 -3.7906 3 1010.1469567 89503 303945143 935142 a-Alanine, conf. II
534967.4618 63.3962 -3.7906 3 1010.1469567 89503 303945144 935143 a-Alanine, conf. II
534994.3710 65.8283 -3.4581 3 879.6081549 89503 303913755 903754 a-Alanine, conf. II
535025.4355 15.4672 -3.8754 3 473.0192333 89503 3035553 2 5452 3 a-Alanine, conf. II
535025.4355 15.4672 -3.8754 3 473.0192333 89503 3035553 3 5452 2 a-Alanine, conf. II
535110.7049 7.0793 -4.0224 3 488.3933375 89503 303624418 614319 a-Alanine, conf. II
535110.7049 7.0793 -4.0224 3 488.3933375 89503 303624419 614318 a-Alanine, conf. II
535112.1441 34.6500 -4.1227 3 398.0074375 89503 303622339 612140 a-Alanine, conf. II
535148.6220236.7943 -3.6455 3 1042.2696681 89503 303B3 6A7 B2 6A6 a-Alanine, conf. II
535148.6220236.7943 -3.6455 3 1042.2696681 89503 303B3 7A7 B2 7A6 a-Alanine, conf. II
535154.0545 44.6361 -3.5992 3 975.2932603 89503 303A02476 992475 a-Alanine, conf. II
535154.0545 44.6361 -3.5992 3 975.2932603 89503 303A02576 992575 a-Alanine, conf. II
535184.9413 37.8944 -3.5633 3 948.2276585 89503 303972969 962968 a-Alanine, conf. II
535184.9419 37.8944 -3.5633 3 948.2276585 89503 303972869 962868 a-Alanine, conf. II
535200.2533 14.0532 -4.1658 3 353.8034357 89503 303592139 581940 a-Alanine, conf. II
535256.9224 62.5847 -4.1203 3 1122.6313573 89503 303956332 946331 a-Alanine, conf. II
535256.9224 62.5847 -4.1203 3 1122.6313573 89503 303956333 946332 a-Alanine, conf. II
535273.7978 68.2433 -3.6246 3 948.5521561 89503 303934450 924449 a-Alanine, conf. II
535273.9146 68.2464 -3.6246 3 948.5521561 89503 303934449 924448 a-Alanine, conf. II
535371.0478104.4701 -3.4704 3 883.7239549 89503 303913853 903852 a-Alanine, conf. II
535439.7611 5.5329 -4.0954 3 394.8040369 89503 303612735 602536 a-Alanine, conf. II
535453.2856 76.3884 -3.5294 3 910.2056555 89503 303924053 914052 a-Alanine, conf. II
535464.4768380.0272 -3.6394 3 1049.4094699 89503 303B6 2B4 B5 2B3 a-Alanine, conf. II
535464.4768380.0272 -3.6394 3 1049.4094699 89503 303B6 3B4 B5 3B3 a-Alanine, conf. II
535466.6048 91.5826 -3.6463 3 1025.7694651 89503 303A81395 A71394 a-Alanine, conf. II
535466.6048 91.5826 -3.6463 3 1025.7694651 89503 303A81495 A71494 a-Alanine, conf. II
535582.6803 62.7420 -4.0909 3 1113.8559573 89503 303956233 946232 a-Alanine, conf. II
535582.6803 62.7420 -4.0909 3 1113.8559573 89503 303956234 946233 a-Alanine, conf. II
535600.7344 49.6700 -3.6254 3 998.4505621 89503 303A32083 A22082 a-Alanine, conf. II
535600.7344 49.6700 -3.6254 3 998.4505621 89503 303A32183 A22182 a-Alanine, conf. II
535604.7785 79.2533 -3.5291 3 910.2103555 89503 303924052 914051 a-Alanine, conf. II
535659.2610 64.1856 -3.7683 3 1003.3351567 89503 303945044 935043 a-Alanine, conf. II
535659.2610 64.1856 -3.7683 3 1003.3351567 89503 303945045 935044 a-Alanine, conf. II
535798.6252 9.8400 -3.9497 3 480.0347357 89503 303594811 584712 a-Alanine, conf. II
535798.6252 9.8400 -3.9497 3 480.0347357 89503 303594812 584711 a-Alanine, conf. II
535812.5889 8.0777 -4.1829 3 515.7001405 89503 303673829 663730 a-Alanine, conf. II
535812.5889 8.0777 -4.1829 3 515.7001405 89503 303673830 663729 a-Alanine, conf. II
535927.3099 62.9273 -4.0622 3 1105.2376573 89503 303956134 946133 a-Alanine, conf. II
535927.3099 62.9273 -4.0622 3 1105.2376573 89503 303956135 946134 a-Alanine, conf. II
535952.6553161.1856 -3.6521 3 1039.0561669 89503 303B1 9A2 B0 9A1 a-Alanine, conf. II
535952.6553161.1856 -3.6521 3 1039.0561669 89503 303B110A2 B010A1 a-Alanine, conf. II
536123.6063 11.4074 -4.0332 3 487.5589411 89503 303682840 672641 a-Alanine, conf. II
536145.5013 32.9629 -3.3986 3 853.6013543 89503 303903456 893455 a-Alanine, conf. II
536164.2508 64.1744 -3.6437 3 1017.9417639 89503 303A61690 A51689 a-Alanine, conf. II
536164.2508 64.1744 -3.6437 3 1017.9417639 89503 303A61790 A51789 a-Alanine, conf. II
536168.6734 6.4319 -4.2505 3 321.5526345 89503 303571740 561541 a-Alanine, conf. II
536171.1074 6.4296 -4.2505 3 321.5526345 89503 303571840 561641 a-Alanine, conf. II
536200.1632 40.3781 -3.5796 3 959.8315591 89503 303982771 972770 a-Alanine, conf. II
536200.1632 40.3781 -3.5796 3 959.8315591 89503 303982871 972870 a-Alanine, conf. II
536265.5577 6.8011 -4.0479 3 494.1175381 89503 303634320 624221 a-Alanine, conf. II
536265.5577 6.8011 -4.0479 3 494.1175381 89503 303634321 624220 a-Alanine, conf. II
536292.3679 63.1435 -4.0342 3 1096.7776573 89503 303956035 946034 a-Alanine, conf. II
536292.3679 63.1435 -4.0342 3 1096.7776573 89503 303956036 946035 a-Alanine, conf. II
536307.8583 14.1547 -3.8916 3 475.9479339 89503 3035652 4 5551 5 a-Alanine, conf. II
536307.8583 14.1547 -3.8916 3 475.9479339 89503 3035652 5 5551 4 a-Alanine, conf. II
536341.7044271.4210 -3.6511 3 1048.8338687 89503 303B4 5A9 B3 5A8 a-Alanine, conf. II
536341.7044271.4210 -3.6511 3 1048.8338687 89503 303B4 6A9 B3 6A8 a-Alanine, conf. II
536354.0317 46.4350 -3.6129 3 985.8855609 89503 303A12378 A02377 a-Alanine, conf. II
536354.0317 46.4350 -3.6129 3 985.8855609 89503 303A12478 A02477 a-Alanine, conf. II
536411.0211 65.1079 -3.7465 3 996.7029567 89503 303944945 934944 a-Alanine, conf. II
536411.0211 65.1079 -3.7465 3 996.7029567 89503 303944946 934945 a-Alanine, conf. II
536500.4324 11.7565 -4.4351 3 559.6444435 89503 303723340 713239 a-Alanine, conf. II
536536.4540 8.8890 -4.2215 3 523.5645411 89503 303683732 673631 a-Alanine, conf. II
536536.4544 8.8890 -4.2215 3 523.5645411 89503 303683731 673632 a-Alanine, conf. II
536613.3655 70.7863 -3.6054 3 943.0720561 89503 303934351 924350 a-Alanine, conf. II
536614.3453 70.8105 -3.6054 3 943.0720561 89503 303934350 924349 a-Alanine, conf. II
536632.3313428.3658 -3.6434 3 1055.0959705 89503 303B7 1B6 B6 1B5 a-Alanine, conf. II
536632.3313428.3658 -3.6434 3 1055.0959705 89503 303B7 2B6 B6 2B5 a-Alanine, conf. II
536679.6006 63.3941 -4.0068 3 1088.4768573 89503 303955936 945935 a-Alanine, conf. II
536679.6006 63.3941 -4.0068 3 1088.4768573 89503 303955937 945936 a-Alanine, conf. II
536699.5430 12.6359 -4.4348 3 559.6394435 89503 303723339 713240 a-Alanine, conf. II
536704.9663106.9549 -3.6548 3 1033.8728657 89503 303A91297 A81296 a-Alanine, conf. II
536704.9663106.9549 -3.6548 3 1033.8728657 89503 303A91397 A81396 a-Alanine, conf. II
536846.6141 18.8056 -4.1485 3 368.3595363 89503 303602139 591940 a-Alanine, conf. II
536850.7923 52.3044 -3.6371 3 1008.1150627 89503 303A41985 A31984 a-Alanine, conf. II
536850.7923 52.3044 -3.6371 3 1008.1150627 89503 303A42085 A32084 a-Alanine, conf. II
536948.8272 30.4123 -3.5131 3 916.6375567 89503 303943362 933361 a-Alanine, conf. II
536988.0436 30.4682 -3.5131 3 916.6350567 89503 303943262 933261 a-Alanine, conf. II
537001.8745 6.3284 -4.4449 3 272.6219285 89503 303473314 463115 a-Alanine, conf. II
537001.8745 6.3284 -4.4449 3 272.6219285 89503 303473315 463116 a-Alanine, conf. II
537037.5644 8.9362 -3.9704 3 484.5130363 89503 303604713 594614 a-Alanine, conf. II
537037.5644 8.9362 -3.9704 3 484.5130363 89503 303604714 594613 a-Alanine, conf. II
537049.6799 28.6695 -3.4904 3 903.3933561 89503 303933460 923459 a-Alanine, conf. II
537051.6903 20.5127 -4.0830 3 460.6746399 89503 303662838 652639 a-Alanine, conf. II
537081.2708 9.7869 -4.2643 3 531.8629417 89503 303693634 683533 a-Alanine, conf. II
537081.2873 9.7870 -4.2643 3 531.8629417 89503 303693633 683534 a-Alanine, conf. II
537090.9753 63.6833 -3.9801 3 1080.3367573 89503 303955837 945836 a-Alanine, conf. II
537090.9753 63.6833 -3.9801 3 1080.3367573 89503 303955838 945837 a-Alanine, conf. II
537095.7772 30.0803 -3.4666 3 889.7213555 89503 303923558 913557 a-Alanine, conf. II
537165.5328187.1710 -3.6590 3 1046.2859675 89503 303B2 8A4 B1 8A3 a-Alanine, conf. II
537165.5328187.1710 -3.6590 3 1046.2859675 89503 303B2 9A4 B1 9A3 a-Alanine, conf. II
537231.7482 66.1930 -3.7252 3 990.2543567 89503 303944846 934845 a-Alanine, conf. II
537231.7482 66.1930 -3.7252 3 990.2543567 89503 303944847 934846 a-Alanine, conf. II
537247.3502 32.5185 -3.5339 3 929.4843573 89503 303953264 943263 a-Alanine, conf. II
537250.0104 32.5261 -3.5339 3 929.4841573 89503 303953164 943163 a-Alanine, conf. II
537276.0146 25.1215 -4.1341 3 383.0984369 89503 303612239 602040 a-Alanine, conf. II
537284.7264 11.5672 -4.3679 3 549.8622429 89503 303713438 703337 a-Alanine, conf. II
537287.1536 42.7331 -3.5952 3 971.1788597 89503 303992673 982672 a-Alanine, conf. II
537287.1536 42.7331 -3.5952 3 971.1788597 89503 303992773 982772 a-Alanine, conf. II
537295.8556 11.6212 -4.3679 3 549.8619429 89503 303713437 703338 a-Alanine, conf. II
537373.2284 10.7179 -4.3123 3 540.6182423 89503 303703536 693435 a-Alanine, conf. II
537373.7096 10.7204 -4.3123 3 540.6182423 89503 303703535 693436 a-Alanine, conf. II
537381.0259 6.7625 -4.0750 3 500.2145387 89503 303644222 634123 a-Alanine, conf. II
537381.0259 6.7625 -4.0750 3 500.2145387 89503 303644223 634122 a-Alanine, conf. II
537415.1173 72.7066 -3.6536 3 1026.7142645 89503 303A71592 A61591 a-Alanine, conf. II
537415.1173 72.7066 -3.6536 3 1026.7142645 89503 303A71692 A61691 a-Alanine, conf. II
537501.9153 29.0066 -3.4896 3 903.3619561 89503 303933360 923359 a-Alanine, conf. II
537522.9526 3.6565 -4.1926 3 333.9346333 89503 303552926 542727 a-Alanine, conf. II
537525.2966 3.6564 -4.1926 3 333.9345333 89503 303552927 542728 a-Alanine, conf. II
537527.4944309.6248 -3.6564 3 1055.1890693 89503 303B5 4B1 B4 4B0 a-Alanine, conf. II
537527.4944309.6248 -3.6564 3 1055.1890693 89503 303B5 5B1 B4 5B0 a-Alanine, conf. II
537528.7200 64.0160 -3.9541 3 1072.3585573 89503 303955738 945737 a-Alanine, conf. II
537528.7200 64.0160 -3.9541 3 1072.3585573 89503 303955739 945738 a-Alanine, conf. II
537574.1770 48.1658 -3.6261 3 996.2507615 89503 303A22280 A12279 a-Alanine, conf. II
537574.1770 48.1658 -3.6261 3 996.2507615 89503 303A22380 A12379 a-Alanine, conf. II
537583.9297 12.9095 -3.9087 3 479.2218345 89503 3035751 6 5650 7 a-Alanine, conf. II
537583.9297 12.9095 -3.9087 3 479.2218345 89503 3035751 7 5650 6 a-Alanine, conf. II
537678.5775 3.8625 -4.1406 3 363.1400351 89503 303582830 572631 a-Alanine, conf. II
537702.4374 79.7352 -3.5110 3 905.6733555 89503 303923954 913953 a-Alanine, conf. II
537794.3839480.9640 -3.6471 3 1060.5718711 89503 303B8 0B8 B7 0B7 a-Alanine, conf. II
537794.3839480.9640 -3.6471 3 1060.5718711 89503 303B8 1B8 B7 1B7 a-Alanine, conf. II
537800.5309 17.4176 -4.1472 3 368.3609363 89503 303602239 592040 a-Alanine, conf. II
537840.8997 77.8365 -3.3630 3 838.3098537 89503 303893554 883553 a-Alanine, conf. II
537851.5167 34.9018 -3.5533 3 941.9844579 89503 303963166 953165 a-Alanine, conf. II
537851.6648 34.9025 -3.5533 3 941.9844579 89503 303963066 953065 a-Alanine, conf. II
537936.5613125.0797 -3.6630 3 1041.7680663 89503 303B01199 A91198 a-Alanine, conf. II
537936.5613125.0797 -3.6630 3 1041.7680663 89503 303B01299 A91298 a-Alanine, conf. II
537954.4896 3.8650 -4.1402 3 363.1304351 89503 303582831 572632 a-Alanine, conf. II
537995.3729 64.3979 -3.9286 3 1064.5438573 89503 303955639 945638 a-Alanine, conf. II
537995.3729 64.3979 -3.9286 3 1064.5438573 89503 303955640 945639 a-Alanine, conf. II
538103.3957 55.9406 -3.6483 3 1017.5647633 89503 303A51887 A41886 a-Alanine, conf. II
538103.3957 55.9406 -3.6483 3 1017.5647633 89503 303A51987 A41986 a-Alanine, conf. II
538132.7126 67.4816 -3.7044 3 983.9940567 89503 303944748 934747 a-Alanine, conf. II
538132.7129 67.4816 -3.7044 3 983.9940567 89503 303944747 934746 a-Alanine, conf. II
538155.4366 74.0492 -3.5864 3 937.8193561 89503 303934252 924251 a-Alanine, conf. II
538162.8698 74.2199 -3.5864 3 937.8195561 89503 303934251 924250 a-Alanine, conf. II
538199.4792 5.3262 -4.3658 3 286.3889297 89503 303493217 483018 a-Alanine, conf. II
538199.4792 5.3262 -4.3658 3 286.3889297 89503 303493218 483019 a-Alanine, conf. II
538259.1354 8.1693 -3.9923 3 489.3479369 89503 303614615 604516 a-Alanine, conf. II
538259.1354 8.1693 -3.9923 3 489.3479369 89503 303614616 604515 a-Alanine, conf. II
538281.4823 36.7985 -3.4296 3 871.4852549 89503 303913457 903456 a-Alanine, conf. II
538370.7815216.3337 -3.6655 3 1053.3074681 89503 303B3 7A6 B2 7A5 a-Alanine, conf. II
538370.7815216.3337 -3.6655 3 1053.3074681 89503 303B3 8A6 B2 8A5 a-Alanine, conf. II
538386.0207 2.9288 -4.3259 3 303.5940339 89503 303561541 551342 a-Alanine, conf. II
538386.0661 2.9288 -4.3259 3 303.5940339 89503 303561641 551442 a-Alanine, conf. II
538414.9140 65.4387 -4.4715 3 1236.6240579 89503 303967323 957322 a-Alanine, conf. II
538414.9140 65.4387 -4.4715 3 1236.6240579 89503 303967324 957323 a-Alanine, conf. II
538425.5525 44.9074 -3.6102 3 982.2803603 89503 303A02575 992574 a-Alanine, conf. II
538425.5525 44.9074 -3.6102 3 982.2803603 89503 303A02675 992674 a-Alanine, conf. II
538446.5245 6.9672 -4.1040 3 506.6906393 89503 303654124 644025 a-Alanine, conf. II
538446.5245 6.9672 -4.1040 3 506.6906393 89503 303654125 644024 a-Alanine, conf. II
538493.8433 64.8362 -3.9038 3 1056.8944573 89503 303955540 945539 a-Alanine, conf. II
538493.8433 64.8362 -3.9038 3 1056.8944573 89503 303955541 945540 a-Alanine, conf. II
538520.3929 93.5195 -3.5097 3 905.7021555 89503 303923953 913952 a-Alanine, conf. II
538616.9269 65.4284 -4.4338 3 1226.3254579 89503 303967224 957223 a-Alanine, conf. II
538616.9269 65.4284 -4.4338 3 1226.3254579 89503 303967225 957224 a-Alanine, conf. II
538655.5730 37.4624 -3.5714 3 954.1744585 89503 303973068 963067 a-Alanine, conf. II
538655.5799 37.4625 -3.5714 3 954.1744585 89503 303972968 962967 a-Alanine, conf. II
538661.4745 83.6116 -3.6631 3 1035.2770651 89503 303A81494 A71493 a-Alanine, conf. II
538661.4745 83.6116 -3.6631 3 1035.2770651 89503 303A81594 A71593 a-Alanine, conf. II
538706.3465351.5905 -3.6613 3 1061.3347699 89503 303B6 3B3 B5 3B2 a-Alanine, conf. II
538706.3465351.5905 -3.6613 3 1061.3347699 89503 303B6 4B3 B5 4B2 a-Alanine, conf. II
538784.8909 3.9146 -4.2425 3 317.0010321 89503 303533023 522824 a-Alanine, conf. II
538784.9169 3.9146 -4.2425 3 317.0009321 89503 303533024 522825 a-Alanine, conf. II
538808.0893 49.9920 -3.6388 3 1006.3932621 89503 303A32182 A22181 a-Alanine, conf. II
538808.0893 49.9920 -3.6388 3 1006.3932621 89503 303A32282 A22281 a-Alanine, conf. II
538828.8336 65.4322 -4.3972 3 1216.1774579 89503 303967125 957124 a-Alanine, conf. II
538828.8336 65.4322 -4.3972 3 1216.1774579 89503 303967126 957125 a-Alanine, conf. II
538852.0758 11.7396 -3.9267 3 482.8427351 89503 3035850 8 5749 9 a-Alanine, conf. II
538852.0758 11.7396 -3.9267 3 482.8427351 89503 3035850 9 5749 8 a-Alanine, conf. II
538873.4725 4.4950 -4.2994 3 301.1698309 89503 303513120 502921 a-Alanine, conf. II
538873.4727 4.4950 -4.2994 3 301.1698309 89503 303513121 502922 a-Alanine, conf. II
539027.4901 65.3393 -3.8795 3 1049.4121573 89503 303955441 945440 a-Alanine, conf. II
539027.4901 65.3393 -3.8795 3 1049.4121573 89503 303955442 945441 a-Alanine, conf. II
539051.2552 65.4509 -4.3616 3 1206.1806579 89503 303967026 957025 a-Alanine, conf. II
539051.2552 65.4509 -4.3616 3 1206.1806579 89503 303967027 957026 a-Alanine, conf. II
539128.3255 69.0294 -3.6841 3 977.9279567 89503 303944649 934648 a-Alanine, conf. II
539128.3287 69.0295 -3.6841 3 977.9279567 89503 303944648 934647 a-Alanine, conf. II
539161.0073146.0732 -3.6708 3 1049.4549669 89503 303B110A1 B010A0 a-Alanine, conf. II
539161.0073146.0732 -3.6708 3 1049.4549669 89503 303B111A1 B011A0 a-Alanine, conf. II
539284.8675 65.4855 -4.3270 3 1196.3354579 89503 303966927 956926 a-Alanine, conf. II
539284.8675 65.4855 -4.3270 3 1196.3354579 89503 303966928 956927 a-Alanine, conf. II
539320.8054 16.5818 -3.8742 3 480.5550333 89503 3035554 1 5453 2 a-Alanine, conf. II
539320.8054 16.5818 -3.8742 3 480.5550333 89503 3035554 2 5453 1 a-Alanine, conf. II
539356.0538 61.0108 -3.6592 3 1026.8013639 89503 303A61789 A51788 a-Alanine, conf. II
539356.0538 61.0108 -3.6592 3 1026.8013639 89503 303A61889 A51888 a-Alanine, conf. II
539377.4800 1.8171 -4.4171 3 285.6023333 89503 303551342 541143 a-Alanine, conf. II
539377.4806 1.8171 -4.4171 3 285.6023333 89503 303551442 541243 a-Alanine, conf. II
539407.0323 58.3414 -4.1112 3 440.7272393 89503 303652540 642341 a-Alanine, conf. II
539448.1255 7.3967 -4.1351 3 513.5538399 89503 303664026 653927 a-Alanine, conf. II
539448.1255 7.3967 -4.1351 3 513.5538399 89503 303664027 653926 a-Alanine, conf. II
539459.0162 7.5715 -4.0155 3 494.5429375 89503 303624517 614418 a-Alanine, conf. II
539459.0162 7.5715 -4.0155 3 494.5429375 89503 303624518 614417 a-Alanine, conf. II
539504.1123 7.4727 -4.0922 3 406.7827375 89503 303622736 612537 a-Alanine, conf. II
539530.4078 65.5371 -4.2932 3 1186.6426579 89503 303966828 956827 a-Alanine, conf. II
539530.4078 65.5371 -4.2932 3 1186.6426579 89503 303966829 956828 a-Alanine, conf. II
539568.5107248.8289 -3.6717 3 1060.1203687 89503 303B4 6A8 B3 6A7 a-Alanine, conf. II
539568.5107248.8289 -3.6717 3 1060.1203687 89503 303B4 7A8 B3 7A7 a-Alanine, conf. II
539593.6087 40.0708 -3.5886 3 966.0794591 89503 303982970 972969 a-Alanine, conf. II
539593.6090 40.0708 -3.5886 3 966.0794591 89503 303982870 972869 a-Alanine, conf. II
539600.2222 65.9177 -3.8558 3 1042.0992573 89503 303955342 945341 a-Alanine, conf. II
539600.2222 65.9177 -3.8558 3 1042.0992573 89503 303955343 945342 a-Alanine, conf. II
539600.9362 46.8914 -3.6246 3 993.1440609 89503 303A12477 A02476 a-Alanine, conf. II
539600.9362 46.8914 -3.6246 3 993.1440609 89503 303A12577 A02576 a-Alanine, conf. II
539788.6822 65.6068 -4.2604 3 1177.1026579 89503 303966729 956728 a-Alanine, conf. II
539788.6822 65.6068 -4.2604 3 1177.1026579 89503 303966730 956729 a-Alanine, conf. II
539878.6938397.5127 -3.6659 3 1067.2705705 89503 303B7 2B5 B6 2B4 a-Alanine, conf. II
539878.6938397.5127 -3.6659 3 1067.2705705 89503 303B7 3B5 B6 3B4 a-Alanine, conf. II
539884.2947 77.1348 -3.4937 3 901.4329555 89503 303923855 913854 a-Alanine, conf. II
539902.3552 97.0842 -3.6722 3 1043.6306657 89503 303A91396 A81395 a-Alanine, conf. II
539902.3552 97.0842 -3.6722 3 1043.6306657 89503 303A91496 A81495 a-Alanine, conf. II
539957.5844 78.1851 -3.5677 3 932.8105561 89503 303934153 924152 a-Alanine, conf. II
540007.9592 79.2493 -3.5676 3 932.8120561 89503 303934152 924151 a-Alanine, conf. II
540050.8486 52.1630 -3.6510 3 1016.3162627 89503 303A42084 A32083 a-Alanine, conf. II
540050.8486 52.1630 -3.6510 3 1016.3162627 89503 303A42184 A32183 a-Alanine, conf. II
540060.5369 20.8854 -4.1307 3 383.1033369 89503 303612339 602140 a-Alanine, conf. II
540060.5744 65.6962 -4.2283 3 1167.7162579 89503 303966630 956629 a-Alanine, conf. II
540060.5744 65.6962 -4.2283 3 1167.7162579 89503 303966631 956630 a-Alanine, conf. II
540110.3487 10.6565 -3.9457 3 486.8129357 89503 303594910 584811 a-Alanine, conf. II
540110.3487 10.6565 -3.9457 3 486.8129357 89503 303594911 584810 a-Alanine, conf. II
540143.5654 42.6874 -3.4705 3 893.6135555 89503 303923657 913656 a-Alanine, conf. II
540199.0762 8.7221 -4.2244 3 335.7840351 89503 303581840 571641 a-Alanine, conf. II
540209.2078 8.7103 -4.2244 3 335.7840351 89503 303581940 571741 a-Alanine, conf. II
540216.6300 66.5844 -3.8327 3 1034.9580573 89503 303955243 945242 a-Alanine, conf. II
540216.6300 66.5844 -3.8327 3 1034.9580573 89503 303955244 945243 a-Alanine, conf. II
540237.5011 70.9163 -3.6642 3 972.0627567 89503 303944550 934549 a-Alanine, conf. II
540237.5322 70.9172 -3.6642 3 972.0627567 89503 303944549 934548 a-Alanine, conf. II
540347.0556 65.8068 -4.1971 3 1158.4840579 89503 303966531 956530 a-Alanine, conf. II
540347.0556 65.8068 -4.1971 3 1158.4840579 89503 303966532 956531 a-Alanine, conf. II
540367.1479 8.0177 -4.1686 3 520.8131405 89503 303673928 663829 a-Alanine, conf. II
540367.1479 8.0177 -4.1686 3 520.8131405 89503 303673929 663828 a-Alanine, conf. II
540378.0794170.0572 -3.6782 3 1056.9335675 89503 303B2 9A3 B1 9A2 a-Alanine, conf. II
540378.0794170.0572 -3.6782 3 1056.9335675 89503 303B210A3 B110A2 a-Alanine, conf. II
540560.0828 21.6356 -4.1055 3 447.5448393 89503 303652837 642638 a-Alanine, conf. II
540605.2693 15.2112 -3.8899 3 483.3333339 89503 3035653 3 5552 4 a-Alanine, conf. II
540605.2693 15.2112 -3.8899 3 483.3333339 89503 3035653 4 5552 3 a-Alanine, conf. II
540606.8107 67.9298 -3.6696 3 1035.8262645 89503 303A71691 A61690 a-Alanine, conf. II
540606.8107 67.9298 -3.6696 3 1035.8262645 89503 303A71791 A61790 a-Alanine, conf. II
540624.6411 42.6139 -3.6051 3 977.7172597 89503 303992772 982771 a-Alanine, conf. II
540624.6411 42.6139 -3.6051 3 977.7172597 89503 303992872 982871 a-Alanine, conf. II
540631.7607 7.1782 -4.0401 3 500.1024381 89503 303634419 624320 a-Alanine, conf. II
540631.7607 7.1782 -4.0401 3 500.1024381 89503 303634420 624319 a-Alanine, conf. II
540649.1965 65.9406 -4.1666 3 1149.4068579 89503 303966432 956431 a-Alanine, conf. II
540649.1965 65.9406 -4.1666 3 1149.4068579 89503 303966433 956432 a-Alanine, conf. II
540682.1314 35.2929 -3.4594 3 889.4404555 89503 303923458 913457 a-Alanine, conf. II
540758.9292284.8232 -3.6775 3 1066.7243693 89503 303B5 5B0 B4 5A9 a-Alanine, conf. II
540758.9292284.8232 -3.6775 3 1066.7243693 89503 303B5 6B0 B4 6A9 a-Alanine, conf. II
540791.8947 4.1220 -4.1341 3 374.4474357 89503 303592831 582632 a-Alanine, conf. II
540802.7733 48.7258 -3.6384 3 1003.7763615 89503 303A22379 A12378 a-Alanine, conf. II
540802.7733 48.7258 -3.6384 3 1003.7763615 89503 303A22479 A12478 a-Alanine, conf. II
540882.1599 67.3555 -3.8100 3 1027.9915573 89503 303955144 945143 a-Alanine, conf. II
540882.1599 67.3555 -3.8100 3 1027.9915573 89503 303955145 945144 a-Alanine, conf. II
540968.1808 66.0996 -4.1369 3 1140.4855579 89503 303966333 956332 a-Alanine, conf. II
540968.1808 66.0996 -4.1369 3 1140.4855579 89503 303966334 956333 a-Alanine, conf. II
541007.5638 19.1330 -4.0870 3 416.1144381 89503 303632638 622439 a-Alanine, conf. II
541045.0424447.5949 -3.6700 3 1072.9960711 89503 303B8 1B7 B7 1B6 a-Alanine, conf. II
541045.0424447.5949 -3.6700 3 1072.9960711 89503 303B8 2B7 B7 2B6 a-Alanine, conf. II
541055.8399 63.0875 -3.4794 3 897.4536555 89503 303923756 913755 a-Alanine, conf. II
541071.4965 11.9403 -4.4696 3 573.6538441 89503 303733341 723240 a-Alanine, conf. II
541137.0384113.2696 -3.6809 3 1051.7754663 89503 303B01298 A91297 a-Alanine, conf. II
541137.0384113.2696 -3.6809 3 1051.7754663 89503 303B01398 A91397 a-Alanine, conf. II
541142.6308125.0579 -3.4011 3 858.8852543 89503 303903654 893653 a-Alanine, conf. II
541162.4548 32.2112 -3.5390 3 934.5482573 89503 303953363 943362 a-Alanine, conf. II
541168.8364 30.2813 -3.5165 3 921.3073567 89503 303943461 933460 a-Alanine, conf. II
541177.9127 8.7915 -4.2049 3 528.4803411 89503 303683830 673731 a-Alanine, conf. II
541177.9127 8.7915 -4.2049 3 528.4803411 89503 303683831 673730 a-Alanine, conf. II
541181.8010 32.2465 -3.5389 3 934.5470573 89503 303953263 943262 a-Alanine, conf. II
541298.6326 55.0175 -3.6629 3 1026.0224633 89503 303A51986 A41985 a-Alanine, conf. II
541298.6326 55.0175 -3.6629 3 1026.0224633 89503 303A52086 A42085 a-Alanine, conf. II
541305.3226 66.2864 -4.1079 3 1131.7210579 89503 303966234 956233 a-Alanine, conf. II
541305.3226 66.2864 -4.1079 3 1131.7210579 89503 303966235 956234 a-Alanine, conf. II
541356.3356 9.6770 -3.9658 3 491.1349363 89503 303604812 594713 a-Alanine, conf. II
541356.3356 9.6770 -3.9658 3 491.1349363 89503 303604813 594712 a-Alanine, conf. II
541372.3155 29.9410 -3.4924 3 907.6369561 89503 303933559 923558 a-Alanine, conf. II
541389.3338 4.0657 -4.1332 3 374.4266357 89503 303592832 582633 a-Alanine, conf. II
541408.2542 30.4759 -3.5161 3 921.2910567 89503 303943361 933360 a-Alanine, conf. II
541485.8391 73.2600 -3.6447 3 966.4070567 89503 303944451 934450 a-Alanine, conf. II
541486.1138 73.2674 -3.6447 3 966.4070567 89503 303944450 934449 a-Alanine, conf. II
541503.2329 13.8660 -4.4690 3 573.6428441 89503 303733340 723241 a-Alanine, conf. II
541546.9414 34.4616 -3.5596 3 947.4049579 89503 303963265 953264 a-Alanine, conf. II
541548.1861 34.4658 -3.5596 3 947.4049579 89503 303963165 953164 a-Alanine, conf. II
541587.6897197.1647 -3.6853 3 1064.2038681 89503 303B3 8A5 B2 8A4 a-Alanine, conf. II
541587.6897197.1647 -3.6853 3 1064.2038681 89503 303B3 9A5 B2 9A4 a-Alanine, conf. II
541603.3512 68.2519 -3.7879 3 1021.2028573 89503 303955045 945044 a-Alanine, conf. II
541603.3512 68.2519 -3.7879 3 1021.2028573 89503 303955046 945045 a-Alanine, conf. II
541650.9329 65.5206 -4.0668 3 485.2251411 89503 303682741 672542 a-Alanine, conf. II
541662.0849 66.5038 -4.0795 3 1123.1143579 89503 303966135 956134 a-Alanine, conf. II
541662.0849 66.5038 -4.0795 3 1123.1143579 89503 303966136 956135 a-Alanine, conf. II
541721.7370 45.0099 -3.6208 3 989.1008603 89503 303A02674 992673 a-Alanine, conf. II
541721.7370 45.0099 -3.6208 3 989.1008603 89503 303A02774 992773 a-Alanine, conf. II
541768.6938 3.7611 -4.1827 3 344.5425339 89503 303562927 552728 a-Alanine, conf. II
541770.4504 7.0195 -4.0663 3 506.0311387 89503 303644321 634222 a-Alanine, conf. II
541770.4504 7.0195 -4.0663 3 506.0311387 89503 303644322 634221 a-Alanine, conf. II
541774.7354 3.7614 -4.1826 3 344.5423339 89503 303562928 552729 a-Alanine, conf. II
541843.9764 9.6783 -4.2448 3 536.5698417 89503 303693733 683632 a-Alanine, conf. II
541843.9777 9.6783 -4.2448 3 536.5698417 89503 303693732 683633 a-Alanine, conf. II
541854.1375 77.0468 -3.6796 3 1044.6405651 89503 303A81593 A71592 a-Alanine, conf. II
541854.1375 77.0468 -3.6796 3 1044.6405651 89503 303A81693 A71692 a-Alanine, conf. II
541884.0493 13.9063 -3.9065 3 486.4558345 89503 3035752 5 5651 6 a-Alanine, conf. II
541884.0493 13.9063 -3.9065 3 486.4558345 89503 3035752 6 5651 5 a-Alanine, conf. II
541942.3363324.4949 -3.6829 3 1073.1190699 89503 303B6 4B2 B5 4B1 a-Alanine, conf. II
541942.3363324.4949 -3.6829 3 1073.1190699 89503 303B6 5B2 B5 5B1 a-Alanine, conf. II
541987.2264 36.9006 -4.0376 3 501.2203417 89503 303692841 682642 a-Alanine, conf. II
542023.1931 50.5148 -3.6518 3 1014.1823621 89503 303A32281 A22280 a-Alanine, conf. II
542023.1931 50.5148 -3.6518 3 1014.1823621 89503 303A32381 A22380 a-Alanine, conf. II
542040.1043 66.7552 -4.0519 3 1114.6664579 89503 303966036 956035 a-Alanine, conf. II
542040.1043 66.7552 -4.0519 3 1114.6664579 89503 303966037 956036 a-Alanine, conf. II
542064.7520 82.7015 -3.5491 3 928.0664561 89503 303934054 924053 a-Alanine, conf. II
542178.6968139.5489 -3.4449 3 879.9703549 89503 303913754 903753 a-Alanine, conf. II
542205.4596 36.9789 -3.5789 3 959.9252585 89503 303973167 963166 a-Alanine, conf. II
542205.5259 36.9792 -3.5789 3 959.9252585 89503 303973067 963066 a-Alanine, conf. II
542205.9677502.0497 -3.6738 3 1078.5107717 89503 303B9 0B9 B8 0B8 a-Alanine, conf. II
542205.9677502.0497 -3.6738 3 1078.5107717 89503 303B9 1B9 B8 1B8 a-Alanine, conf. II
542216.5988 6.1799 -4.4199 3 281.5323291 89503 303483315 473116 a-Alanine, conf. II
542216.5988 6.1799 -4.4199 3 281.5323291 89503 303483316 473117 a-Alanine, conf. II
542237.0411 12.3874 -4.3976 3 563.5947435 89503 303723439 713338 a-Alanine, conf. II
542263.3199 12.5188 -4.3976 3 563.5941435 89503 303723438 713339 a-Alanine, conf. II
542311.3446 10.6347 -4.2891 3 545.1002423 89503 303703635 693534 a-Alanine, conf. II
542311.3898 10.6349 -4.2891 3 545.1002423 89503 303703634 693535 a-Alanine, conf. II
542339.1847 23.8222 -4.1163 3 398.0239375 89503 303622439 612240 a-Alanine, conf. II
542363.8428 88.4337 -3.5486 3 928.0762561 89503 303934053 924052 a-Alanine, conf. II
542365.0101132.2900 -3.6892 3 1059.7116669 89503 303B111A0 B01199 a-Alanine, conf. II
542365.0101132.2900 -3.6892 3 1059.7116669 89503 303B112A0 B01299 a-Alanine, conf. II
542388.1640 69.3004 -3.7664 3 1014.5957573 89503 303954946 944945 a-Alanine, conf. II
542388.1640 69.3004 -3.7664 3 1014.5957573 89503 303954947 944946 a-Alanine, conf. II
542441.2187 67.0447 -4.0249 3 1106.3785579 89503 303965937 955936 a-Alanine, conf. II
542441.2187 67.0447 -4.0249 3 1106.3785579 89503 303965938 955937 a-Alanine, conf. II
542494.6525 11.5963 -4.3392 3 554.0966429 89503 303713537 703436 a-Alanine, conf. II
542495.8808 11.6028 -4.3392 3 554.0966429 89503 303713536 703437 a-Alanine, conf. II
542548.4504 58.9662 -3.6743 3 1035.5139639 89503 303A61888 A51887 a-Alanine, conf. II
542548.4504 58.9662 -3.6743 3 1035.5139639 89503 303A61988 A51987 a-Alanine, conf. II
542587.0403 8.8240 -3.9870 3 495.8115369 89503 303614714 604615 a-Alanine, conf. II
542587.0403 8.8240 -3.9870 3 495.8115369 89503 303614715 604614 a-Alanine, conf. II
542789.8714227.5413 -3.6920 3 1071.2655687 89503 303B4 7A7 B3 7A6 a-Alanine, conf. II
542789.8714227.5413 -3.6920 3 1071.2655687 89503 303B4 8A7 B3 8A6 a-Alanine, conf. II
542866.2072 7.1097 -4.0941 3 512.3350393 89503 303654223 644124 a-Alanine, conf. II
542866.2072 7.1097 -4.0941 3 512.3350393 89503 303654224 644123 a-Alanine, conf. II
542866.3284 47.2145 -3.6359 3 1000.2402609 89503 303A12576 A02575 a-Alanine, conf. II
542866.3284 47.2145 -3.6359 3 1000.2402609 89503 303A12676 A02675 a-Alanine, conf. II
542867.5031 67.3768 -3.9985 3 1098.2521579 89503 303965838 955837 a-Alanine, conf. II
542867.5031 67.3768 -3.9985 3 1098.2521579 89503 303965839 955838 a-Alanine, conf. II
542909.0354 76.2335 -3.6255 3 960.9715567 89503 303944352 934351 a-Alanine, conf. II
542911.2442 76.2895 -3.6255 3 960.9716567 89503 303944351 934350 a-Alanine, conf. II
543043.6074 39.6468 -3.5971 3 972.1420591 89503 303983069 973068 a-Alanine, conf. II
543043.6104 39.6468 -3.5971 3 972.1420591 89503 303982969 972968 a-Alanine, conf. II
543096.8502 88.6259 -3.6893 3 1053.2448657 89503 303A91495 A81494 a-Alanine, conf. II
543096.8502 88.6259 -3.6893 3 1053.2448657 89503 303A91595 A81594 a-Alanine, conf. II
543097.0482 4.5391 -4.2929 3 317.6682345 89503 303571641 561442 a-Alanine, conf. II
543097.2715 4.5389 -4.2929 3 317.6682345 89503 303571741 561542 a-Alanine, conf. II
543119.1149368.0324 -3.6880 3 1079.3040705 89503 303B7 3B4 B6 3B3 a-Alanine, conf. II
543119.1149368.0324 -3.6880 3 1079.3040705 89503 303B7 4B4 B6 4B3 a-Alanine, conf. II
543155.7618 12.6740 -3.9240 3 489.9241351 89503 3035851 7 5750 8 a-Alanine, conf. II
543155.7618 12.6740 -3.9240 3 489.9241351 89503 3035851 8 5750 7 a-Alanine, conf. II
543246.4459 70.5366 -3.7453 3 1008.1744573 89503 303954848 944847 a-Alanine, conf. II
543246.4460 70.5366 -3.7453 3 1008.1744573 89503 303954847 944846 a-Alanine, conf. II
543256.2072 52.4395 -3.6646 3 1024.3659627 89503 303A42183 A32182 a-Alanine, conf. II
543256.2072 52.4395 -3.6646 3 1024.3659627 89503 303A42283 A32282 a-Alanine, conf. II
543284.5175 5.2034 -4.3460 3 295.7072303 89503 303503218 493019 a-Alanine, conf. II
543284.5175 5.2034 -4.3460 3 295.7072303 89503 303503219 493020 a-Alanine, conf. II
543321.3120 67.7571 -3.9727 3 1090.2885579 89503 303965739 955738 a-Alanine, conf. II
543321.3120 67.7571 -3.9727 3 1090.2885579 89503 303965740 955739 a-Alanine, conf. II
543418.4849 4.6408 -4.1288 3 385.9850363 89503 303602832 592633 a-Alanine, conf. II
543420.4191126.0921 -3.4877 3 901.5819555 89503 303923854 913853 a-Alanine, conf. II
543422.3595 49.0331 -3.3863 3 856.2503543 89503 303903555 893554 a-Alanine, conf. II
543432.2138 3.9255 -4.2299 3 327.1638327 89503 303543024 532825 a-Alanine, conf. II
543432.2903 3.9254 -4.2299 3 327.1638327 89503 303543025 532826 a-Alanine, conf. II
543523.3244 33.0046 -3.4883 3 907.4756561 89503 303933459 923458 a-Alanine, conf. II
543585.9331154.2633 -3.6972 3 1067.4394675 89503 303B210A2 B110A1 a-Alanine, conf. II
543585.9331154.2633 -3.6972 3 1067.4394675 89503 303B211A2 B111A1 a-Alanine, conf. II
543615.0072 17.7461 -3.8736 3 488.2374333 89503 3035555 0 5454 1 a-Alanine, conf. II
543615.0072 17.7461 -3.8736 3 488.2374333 89503 3035555 1 5454 0 a-Alanine, conf. II
543779.2210 4.4232 -4.2837 3 310.9046315 89503 303523121 512922 a-Alanine, conf. II
543779.2215 4.4232 -4.2837 3 310.9046315 89503 303523122 512923 a-Alanine, conf. II
543797.9543 64.4500 -3.6852 3 1044.7923645 89503 303A71790 A61789 a-Alanine, conf. II
543797.9543 64.4500 -3.6852 3 1044.7923645 89503 303A71890 A61889 a-Alanine, conf. II
543798.7290 8.1274 -4.0095 3 500.8462375 89503 303624616 614517 a-Alanine, conf. II
543798.7290 8.1274 -4.0095 3 500.8462375 89503 303624617 614516 a-Alanine, conf. II
543805.3337 68.1924 -3.9476 3 1082.4894579 89503 303965640 955639 a-Alanine, conf. II
543805.3337 68.1924 -3.9476 3 1082.4894579 89503 303965641 955640 a-Alanine, conf. II
543821.8423 17.8919 -4.1168 3 434.6778387 89503 303642836 632637 a-Alanine, conf. II
543839.5578 11.4518 -4.2014 3 350.2190357 89503 303591940 581741 a-Alanine, conf. II
543878.8811 11.3996 -4.2014 3 350.2190357 89503 303592040 581841 a-Alanine, conf. II
543907.4897 7.4408 -4.1238 3 519.0208399 89503 303664125 654026 a-Alanine, conf. II
543907.4897 7.4408 -4.1238 3 519.0208399 89503 303664126 654025 a-Alanine, conf. II
543984.7660261.3453 -3.6983 3 1078.1183693 89503 303B5 6A9 B4 6A8 a-Alanine, conf. II
543984.7660261.3453 -3.6983 3 1078.1183693 89503 303B5 7A9 B4 7A8 a-Alanine, conf. II
544003.5317 42.3347 -3.6144 3 984.0783597 89503 303992971 982970 a-Alanine, conf. II
544003.5318 42.3347 -3.6144 3 984.0783597 89503 303992871 982870 a-Alanine, conf. II
544045.1370 49.2272 -3.6504 3 1011.1431615 89503 303A22478 A12477 a-Alanine, conf. II
544045.1370 49.2272 -3.6504 3 1011.1431615 89503 303A22578 A12577 a-Alanine, conf. II
544190.6166 72.0090 -3.7246 3 1001.9442573 89503 303954749 944748 a-Alanine, conf. II
544190.6174 72.0090 -3.7246 3 1001.9442573 89503 303954748 944747 a-Alanine, conf. II
544250.5493 68.9166 -4.4466 3 1244.2917585 89503 303977225 967224 a-Alanine, conf. II
544250.5493 68.9166 -4.4466 3 1244.2917585 89503 303977226 967225 a-Alanine, conf. II
544289.7253415.6336 -3.6927 3 1085.2789711 89503 303B8 2B6 B7 2B5 a-Alanine, conf. II
544289.7253415.6336 -3.6927 3 1085.2789711 89503 303B8 3B6 B7 3B5 a-Alanine, conf. II
544322.6575 68.6905 -3.9230 3 1074.8566579 89503 303965541 955540 a-Alanine, conf. II
544322.6575 68.6905 -3.9230 3 1074.8566579 89503 303965542 955541 a-Alanine, conf. II
544334.0484102.8575 -3.6985 3 1061.6398663 89503 303B01397 A91396 a-Alanine, conf. II
544334.0484102.8575 -3.6985 3 1061.6398663 89503 303B01497 A91496 a-Alanine, conf. II
544339.8017 10.6445 -4.0918 3 418.9543381 89503 303632737 622538 a-Alanine, conf. II
544374.5591 84.6701 -3.5310 3 923.6091561 89503 303933955 923954 a-Alanine, conf. II
544418.6987 11.5243 -3.9424 3 493.7404357 89503 3035950 9 584910 a-Alanine, conf. II
544418.6987 11.5243 -3.9424 3 493.7404357 89503 303595010 5849 9 a-Alanine, conf. II
544469.5562 68.9371 -4.4107 3 1234.1508585 89503 303977126 967125 a-Alanine, conf. II
544469.5562 68.9371 -4.4107 3 1234.1508585 89503 303977127 967126 a-Alanine, conf. II
544497.1968 54.7695 -3.6771 3 1034.3304633 89503 303A52085 A42084 a-Alanine, conf. II
544497.1968 54.7695 -3.6771 3 1034.3304633 89503 303A52185 A42184 a-Alanine, conf. II
544556.8203 80.0535 -3.6066 3 955.7703567 89503 303944253 934252 a-Alanine, conf. II
544566.8247 1.8659 -4.3752 3 299.5034339 89503 303561442 551243 a-Alanine, conf. II
544566.8280 1.8659 -4.3752 3 299.5034339 89503 303561542 551343 a-Alanine, conf. II
544572.8217 80.4287 -3.6066 3 955.7707567 89503 303944252 934251 a-Alanine, conf. II
544663.2845 4.2988 -4.1271 3 385.9415363 89503 303602833 592634 a-Alanine, conf. II
544699.4416 68.9735 -4.3757 3 1224.1614585 89503 303977027 967026 a-Alanine, conf. II
544699.4416 68.9735 -4.3757 3 1224.1614585 89503 303977028 967027 a-Alanine, conf. II
544799.6226179.3143 -3.7048 3 1074.9586681 89503 303B3 9A4 B2 9A3 a-Alanine, conf. II
544799.6226179.3143 -3.7048 3 1074.9586681 89503 303B310A4 B210A3 a-Alanine, conf. II
544876.8603 69.2613 -3.8989 3 1067.3921579 89503 303965442 955441 a-Alanine, conf. II
544876.8603 69.2613 -3.8989 3 1067.3921579 89503 303965443 955442 a-Alanine, conf. II
544879.0497 7.9859 -4.1557 3 526.0968405 89503 303674027 663928 a-Alanine, conf. II
544879.0497 7.9859 -4.1557 3 526.0968405 89503 303674028 663927 a-Alanine, conf. II
544901.2398 16.3170 -3.8888 3 490.8657339 89503 3035654 2 5553 3 a-Alanine, conf. II
544901.2398 16.3170 -3.8888 3 490.8657339 89503 3035654 3 5553 2 a-Alanine, conf. II
544940.9091 69.0270 -4.3416 3 1214.3240585 89503 303976928 966927 a-Alanine, conf. II
544940.9091 69.0270 -4.3416 3 1214.3240585 89503 303976929 966928 a-Alanine, conf. II
544986.7240 7.6224 -4.0332 3 506.2427381 89503 303634518 624419 a-Alanine, conf. II
544986.7240 7.6224 -4.0332 3 506.2427381 89503 303634519 624418 a-Alanine, conf. II
544997.7695 38.5275 -3.4953 3 911.6308561 89503 303933658 923657 a-Alanine, conf. II
545038.0824 2.9172 -4.4760 3 281.3229333 89503 303551243 541044 a-Alanine, conf. II
545038.0824 2.9172 -4.4760 3 281.3229333 89503 303551343 541144 a-Alanine, conf. II
545045.3025 71.8841 -3.6958 3 1053.8589651 89503 303A81692 A71691 a-Alanine, conf. II
545045.3025 71.8841 -3.6958 3 1053.8589651 89503 303A81792 A71791 a-Alanine, conf. II
545048.7144 44.9338 -3.6309 3 995.7505603 89503 303A02773 992772 a-Alanine, conf. II
545048.7144 44.9338 -3.6309 3 995.7505603 89503 303A02873 992872 a-Alanine, conf. II
545172.6128298.7472 -3.7043 3 1084.7620699 89503 303B6 5B1 B5 5B0 a-Alanine, conf. II
545172.6128298.7472 -3.7043 3 1084.7620699 89503 303B6 6B1 B5 6B0 a-Alanine, conf. II
545194.7269 69.0988 -4.3085 3 1204.6394585 89503 303976829 966828 a-Alanine, conf. II
545194.7269 69.0988 -4.3085 3 1204.6394585 89503 303976830 966829 a-Alanine, conf. II
545236.7070 73.7852 -3.7045 3 995.9112573 89503 303954650 944649 a-Alanine, conf. II
545236.7150 73.7855 -3.7045 3 995.9112573 89503 303954649 944648 a-Alanine, conf. II
545248.3970 51.1012 -3.6644 3 1021.8155621 89503 303A32380 A22379 a-Alanine, conf. II
545248.3970 51.1012 -3.6644 3 1021.8155621 89503 303A32480 A22479 a-Alanine, conf. II
545302.2420 32.0210 -3.5429 3 939.3588573 89503 303953462 943461 a-Alanine, conf. II
545331.8731 25.2399 -4.1050 3 413.1177381 89503 303632539 622340 a-Alanine, conf. II
545342.5424 5.8654 -4.1250 3 397.7625369 89503 303612833 602634 a-Alanine, conf. II
545398.2259 34.1057 -3.5652 3 952.5995579 89503 303963364 953363 a-Alanine, conf. II
545407.6337 34.1271 -3.5651 3 952.5989579 89503 303963264 953263 a-Alanine, conf. II
545426.3596 32.1463 -3.5427 3 939.3505573 89503 303953362 943361 a-Alanine, conf. II
545454.7004467.5062 -3.6970 3 1091.0433717 89503 303B9 1B8 B8 1B7 a-Alanine, conf. II
545454.7004467.5062 -3.6970 3 1091.0433717 89503 303B9 2B8 B8 2B7 a-Alanine, conf. II
545461.7357 69.1901 -4.2761 3 1195.1080585 89503 303976730 966729 a-Alanine, conf. II
545461.7357 69.1901 -4.2761 3 1195.1080585 89503 303976731 966730 a-Alanine, conf. II
545472.1186 69.9168 -3.8755 3 1060.0983579 89503 303965343 955342 a-Alanine, conf. II
545472.1186 69.9168 -3.8755 3 1060.0983579 89503 303965344 955343 a-Alanine, conf. II
545541.9136 30.7462 -3.5189 3 925.6951567 89503 303943560 933559 a-Alanine, conf. II
545565.0682119.8851 -3.7074 3 1069.8258669 89503 303B11299 B01298 a-Alanine, conf. II
545565.0682119.8851 -3.7074 3 1069.8258669 89503 303B11399 B01398 a-Alanine, conf. II
545670.7494 10.4716 -3.9619 3 497.9071363 89503 303604911 594812 a-Alanine, conf. II
545670.7494 10.4716 -3.9619 3 497.9071363 89503 303604912 594811 a-Alanine, conf. II
545742.5649 57.8635 -3.6890 3 1044.0782639 89503 303A61987 A51986 a-Alanine, conf. II
545742.5649 57.8635 -3.6890 3 1044.0782639 89503 303A62087 A52086 a-Alanine, conf. II
545742.8577 69.3028 -4.2445 3 1185.7307585 89503 303976631 966630 a-Alanine, conf. II
545742.8577 69.3028 -4.2445 3 1185.7307585 89503 303976632 966631 a-Alanine, conf. II
545760.3220 8.7079 -4.1902 3 533.5728411 89503 303683929 673830 a-Alanine, conf. II
545760.3220 8.7079 -4.1902 3 533.5728411 89503 303683930 673829 a-Alanine, conf. II
545816.5693 12.7131 -4.1207 3 422.0941381 89503 303632835 622636 a-Alanine, conf. II
545859.6066 36.5041 -3.5857 3 965.4690585 89503 303973266 963265 a-Alanine, conf. II
545860.1825 36.5063 -3.5857 3 965.4690585 89503 303973166 963165 a-Alanine, conf. II
545871.2866109.7550 -3.5286 3 923.6652561 89503 303933954 923953 a-Alanine, conf. II
545876.0351 3.8922 -4.1738 3 355.3608345 89503 303572928 562729 a-Alanine, conf. II
545891.1103 3.8938 -4.1737 3 355.3603345 89503 303572929 562730 a-Alanine, conf. II
546006.0277207.5789 -3.7120 3 1082.2692687 89503 303B4 8A6 B3 8A5 a-Alanine, conf. II
546006.0277207.5789 -3.7120 3 1082.2692687 89503 303B4 9A6 B3 9A5 a-Alanine, conf. II
546039.1075 69.4385 -4.2137 3 1176.5080585 89503 303976532 966531 a-Alanine, conf. II
546039.1075 69.4385 -4.2137 3 1176.5080585 89503 303976533 966532 a-Alanine, conf. II
546113.3549 70.6720 -3.8526 3 1052.9777579 89503 303965244 955243 a-Alanine, conf. II
546113.3549 70.6720 -3.8526 3 1052.9777579 89503 303965245 955244 a-Alanine, conf. II
546145.1262 7.3429 -4.0584 3 512.0054387 89503 303644420 634321 a-Alanine, conf. II
546145.1262 7.3429 -4.0584 3 512.0054387 89503 303644421 634320 a-Alanine, conf. II
546154.8007 47.3687 -3.6467 3 1007.1707609 89503 303A12675 A02674 a-Alanine, conf. II
546154.8007 47.3687 -3.6467 3 1007.1707609 89503 303A12775 A02774 a-Alanine, conf. II
546182.3625 14.9525 -3.9048 3 493.8372345 89503 3035753 4 5652 5 a-Alanine, conf. II
546182.3625 14.9525 -3.9048 3 493.8372345 89503 3035753 5 5652 4 a-Alanine, conf. II
546257.7562 8.4491 -4.1225 3 409.7934375 89503 303622834 612635 a-Alanine, conf. II
546289.0580 81.6125 -3.7060 3 1062.7148657 89503 303A91594 A81593 a-Alanine, conf. II
546289.0580 81.6125 -3.7060 3 1062.7148657 89503 303A91694 A81693 a-Alanine, conf. II
546324.5279 77.5932 -3.5145 3 919.4415561 89503 303933856 923855 a-Alanine, conf. II
546351.6048 69.5994 -4.1837 3 1167.4410585 89503 303976433 966432 a-Alanine, conf. II
546351.6048 69.5994 -4.1837 3 1167.4410585 89503 303976434 966433 a-Alanine, conf. II
546353.7403339.9285 -3.7099 3 1091.1962705 89503 303B7 4B3 B6 4B2 a-Alanine, conf. II
546353.7403339.9285 -3.7099 3 1091.1962705 89503 303B7 5B3 B6 5B2 a-Alanine, conf. II
546405.9966 75.9633 -3.6847 3 990.0830573 89503 303954551 944550 a-Alanine, conf. II
546406.0713 75.9655 -3.6847 3 990.0830573 89503 303954550 944549 a-Alanine, conf. II
546468.7693 52.9556 -3.6779 3 1032.2622627 89503 303A42282 A32281 a-Alanine, conf. II
546468.7693 52.9556 -3.6779 3 1032.2622627 89503 303A42382 A32381 a-Alanine, conf. II
546488.5476 84.7473 -3.5880 3 950.8215567 89503 303944154 934153 a-Alanine, conf. II
546522.8267 9.5676 -4.2276 3 541.4614417 89503 303693832 683731 a-Alanine, conf. II
546522.8268 9.5676 -4.2276 3 541.4614417 89503 303693831 683732 a-Alanine, conf. II
546566.1485 39.1528 -3.6050 3 978.0112591 89503 303983168 973167 a-Alanine, conf. II
546566.1780 39.1529 -3.6050 3 978.0112591 89503 303983068 973067 a-Alanine, conf. II
546591.5069 86.9605 -3.5878 3 950.8247567 89503 303944153 934152 a-Alanine, conf. II
546614.6419523.8665 -3.7010 3 1096.5967723 89503 303C0 0C0 B9 0B9 a-Alanine, conf. II
546614.6419523.8665 -3.7010 3 1096.5967723 89503 303C0 1C0 B9 1B9 a-Alanine, conf. II
546637.8142 45.5321 -4.1296 3 425.2376387 89503 303642440 632241 a-Alanine, conf. II
546681.5892 69.7878 -4.1544 3 1158.5303585 89503 303976334 966333 a-Alanine, conf. II
546681.5892 69.7878 -4.1544 3 1158.5303585 89503 303976335 966334 a-Alanine, conf. II
546775.9091 32.1756 -3.5165 3 925.6056567 89503 303943460 933459 a-Alanine, conf. II
546789.4454139.8317 -3.7159 3 1077.8030675 89503 303B211A1 B111A0 a-Alanine, conf. II
546789.4454139.8317 -3.7159 3 1077.8030675 89503 303B212A1 B112A0 a-Alanine, conf. II
546799.2522 58.5778 -3.5021 3 915.5012561 89503 303933757 923756 a-Alanine, conf. II
546806.4354 71.5457 -3.8302 3 1046.0334579 89503 303965145 955144 a-Alanine, conf. II
546806.4354 71.5457 -3.8302 3 1046.0334579 89503 303965146 955145 a-Alanine, conf. II
546909.3031 9.5364 -3.9825 3 502.4267369 89503 303614813 604714 a-Alanine, conf. II
546909.3031 9.5364 -3.9825 3 502.4267369 89503 303614814 604713 a-Alanine, conf. II
546983.3531 14.7544 -4.1814 3 364.8530363 89503 303602040 591841 a-Alanine, conf. II
546989.4937 62.1476 -3.7006 3 1053.6113645 89503 303A71889 A61888 a-Alanine, conf. II
546989.4937 62.1476 -3.7006 3 1053.6113645 89503 303A71989 A61988 a-Alanine, conf. II
547030.4381 70.0067 -4.1257 3 1149.7770585 89503 303976235 966234 a-Alanine, conf. II
547030.4381 70.0067 -4.1257 3 1149.7770585 89503 303976236 966235 a-Alanine, conf. II
547109.2043 13.1614 -4.4288 3 577.5417441 89503 303733440 723339 a-Alanine, conf. II
547125.4249 14.5437 -4.1812 3 364.8531363 89503 303602140 591941 a-Alanine, conf. II
547125.7324 10.5251 -4.2688 3 549.7780423 89503 303703734 693633 a-Alanine, conf. II
547125.7362 10.5251 -4.2688 3 549.7780423 89503 303703733 693634 a-Alanine, conf. II
547169.6880 13.4718 -4.4287 3 577.5402441 89503 303733439 723340 a-Alanine, conf. II
547205.2160239.2062 -3.7189 3 1089.3710693 89503 303B5 7A8 B4 7A7 a-Alanine, conf. II
547205.2160239.2062 -3.7189 3 1089.3710693 89503 303B5 8A8 B4 8A7 a-Alanine, conf. II
547266.4301 7.3125 -4.0852 3 518.1396393 89503 303654322 644223 a-Alanine, conf. II
547266.4301 7.3125 -4.0852 3 518.1396393 89503 303654323 644222 a-Alanine, conf. II
547304.8081 49.6030 -3.6620 3 1018.3483615 89503 303A22577 A12576 a-Alanine, conf. II
547304.8081 49.6030 -3.6620 3 1018.3483615 89503 303A22677 A12676 a-Alanine, conf. II
547397.8131 6.0340 -4.3971 3 290.6393297 89503 303493316 483117 a-Alanine, conf. II
547397.8131 6.0340 -4.3971 3 290.6393297 89503 303493317 483118 a-Alanine, conf. II
547399.6876 70.2592 -4.0977 3 1141.1822585 89503 303976136 966135 a-Alanine, conf. II
547399.6876 70.2592 -4.0977 3 1141.1822585 89503 303976137 966136 a-Alanine, conf. II
547417.6041 27.0494 -3.4148 3 874.3769549 89503 303913556 903555 a-Alanine, conf. II
547434.6587 41.9237 -3.6232 3 990.2560597 89503 303993070 983069 a-Alanine, conf. II
547434.6600 41.9237 -3.6232 3 990.2560597 89503 303992970 982969 a-Alanine, conf. II
547457.1567 13.6583 -3.9218 3 497.1537351 89503 3035852 6 5751 7 a-Alanine, conf. II
547457.1567 13.6583 -3.9218 3 497.1537351 89503 3035852 7 5751 6 a-Alanine, conf. II
547507.6547 11.5329 -4.3148 3 558.5431429 89503 303713636 703535 a-Alanine, conf. II
547507.7760 11.5336 -4.3148 3 558.5431429 89503 303713635 703536 a-Alanine, conf. II
547528.1134 93.8931 -3.7158 3 1071.3606663 89503 303B01496 A91495 a-Alanine, conf. II
547528.1134 93.8931 -3.7158 3 1071.3606663 89503 303B01596 A91595 a-Alanine, conf. II
547528.5597385.0812 -3.7151 3 1097.4205711 89503 303B8 3B5 B7 3B4 a-Alanine, conf. II
547528.5597385.0812 -3.7151 3 1097.4205711 89503 303B8 4B5 B7 4B4 a-Alanine, conf. II
547550.0411 6.5365 -4.2640 3 331.9547351 89503 303581741 571542 a-Alanine, conf. II
547551.0684 6.5354 -4.2640 3 331.9547351 89503 303581841 571642 a-Alanine, conf. II
547558.4380 72.5622 -3.8083 3 1039.2688579 89503 303965046 955045 a-Alanine, conf. II
547558.4380 72.5622 -3.8083 3 1039.2688579 89503 303965047 955046 a-Alanine, conf. II
547568.8660 12.5088 -4.3671 3 567.7841435 89503 303723538 713437 a-Alanine, conf. II
547571.9248 12.5258 -4.3671 3 567.7841435 89503 303723537 713438 a-Alanine, conf. II
547700.6455 54.9902 -3.6909 3 1042.4870633 89503 303A52184 A42183 a-Alanine, conf. II
547700.6455 54.9902 -3.6909 3 1042.4870633 89503 303A52284 A42283 a-Alanine, conf. II
547727.6398 78.6885 -3.6653 3 984.4690573 89503 303954452 944451 a-Alanine, conf. II
547728.2738 78.7062 -3.6653 3 984.4690573 89503 303954451 944450 a-Alanine, conf. II
547791.0582 70.5492 -4.0704 3 1132.7469585 89503 303976037 966036 a-Alanine, conf. II
547791.0582 70.5492 -4.0704 3 1132.7469585 89503 303976038 966037 a-Alanine, conf. II
547828.4287 4.5888 -4.1218 3 397.6749369 89503 303612834 602635 a-Alanine, conf. II
547993.5336 3.9668 -4.2185 3 337.5314333 89503 303553025 542826 a-Alanine, conf. II
547993.7510 3.9667 -4.2185 3 337.5314333 89503 303553026 542827 a-Alanine, conf. II
548006.8868162.8172 -3.7240 3 1085.5714681 89503 303B310A3 B210A2 a-Alanine, conf. II
548006.8868162.8172 -3.7240 3 1085.5714681 89503 303B311A3 B211A2 a-Alanine, conf. II
548131.1197 8.7458 -4.0042 3 507.3023375 89503 303624715 614616 a-Alanine, conf. II
548131.1197 8.7458 -4.0042 3 507.3023375 89503 303624716 614615 a-Alanine, conf. II
548206.4860 70.8812 -4.0437 3 1124.4724585 89503 303975938 965937 a-Alanine, conf. II
548206.4860 70.8812 -4.0437 3 1124.4724585 89503 303975939 965938 a-Alanine, conf. II
548235.7705 68.0702 -3.7118 3 1062.9314651 89503 303A81791 A71790 a-Alanine, conf. II
548235.7705 68.0702 -3.7118 3 1062.9314651 89503 303A81891 A71890 a-Alanine, conf. II
548325.4588 5.0905 -4.3280 3 305.2241309 89503 303513219 503020 a-Alanine, conf. II
548325.4588 5.0905 -4.3280 3 305.2241309 89503 303513220 503021 a-Alanine, conf. II
548340.9820 7.5344 -4.1137 3 524.6513399 89503 303664224 654125 a-Alanine, conf. II
548340.9820 7.5344 -4.1137 3 524.6513399 89503 303664225 654124 a-Alanine, conf. II
548378.0294 73.7531 -3.7869 3 1032.6878579 89503 303964947 954946 a-Alanine, conf. II
548378.0294 73.7531 -3.7869 3 1032.6878579 89503 303964948 954947 a-Alanine, conf. II
548397.3608274.3579 -3.7254 3 1096.2637699 89503 303B6 6B0 B5 6A9 a-Alanine, conf. II
548397.3608274.3579 -3.7254 3 1096.2637699 89503 303B6 7B0 B5 7A9 a-Alanine, conf. II
548414.1758 44.6872 -3.6406 3 1002.2243603 89503 303A02872 992871 a-Alanine, conf. II
548414.1758 44.6872 -3.6406 3 1002.2243603 89503 303A02972 992971 a-Alanine, conf. II
548486.4857 51.6462 -3.6766 3 1029.2905621 89503 303A32479 A22478 a-Alanine, conf. II
548486.4857 51.6462 -3.6766 3 1029.2905621 89503 303A32579 A22578 a-Alanine, conf. II
548625.0348 4.3726 -4.2693 3 320.8406321 89503 303533122 522923 a-Alanine, conf. II
548625.0366 4.3726 -4.2693 3 320.8406321 89503 303533123 522924 a-Alanine, conf. II
548648.1603 71.2604 -4.0176 3 1116.3602585 89503 303975839 965838 a-Alanine, conf. II
548648.1603 71.2604 -4.0176 3 1116.3602585 89503 303975840 965839 a-Alanine, conf. II
548697.5584434.4072 -3.7200 3 1103.4345717 89503 303B9 2B7 B8 2B6 a-Alanine, conf. II
548697.5584434.4072 -3.7200 3 1103.4345717 89503 303B9 3B7 B8 3B6 a-Alanine, conf. II
548718.1931 89.0940 -3.5695 3 946.1477567 89503 303944055 934054 a-Alanine, conf. II
548724.1200 12.4432 -3.9397 3 500.8169357 89503 3035951 8 5850 9 a-Alanine, conf. II
548724.1200 12.4432 -3.9397 3 500.8169357 89503 3035951 9 5850 8 a-Alanine, conf. II
548761.6329108.9122 -3.7253 3 1079.7968669 89503 303B11398 B01397 a-Alanine, conf. II
548761.6329108.9122 -3.7253 3 1079.7968669 89503 303B11498 B01497 a-Alanine, conf. II
548939.6866 57.4953 -3.7035 3 1052.4928639 89503 303A62086 A52085 a-Alanine, conf. II
548939.6866 57.4953 -3.7035 3 1052.4928639 89503 303A62186 A52185 a-Alanine, conf. II
549050.9116 70.7626 -4.1145 3 469.2446405 89503 303672641 662442 a-Alanine, conf. II
549110.7717108.1124 -3.4176 3 876.9358549 89503 303913655 903654 a-Alanine, conf. II
549118.5712 71.6932 -3.9921 3 1108.4117585 89503 303975740 965739 a-Alanine, conf. II
549118.5712 71.6932 -3.9921 3 1108.4117585 89503 303975741 965740 a-Alanine, conf. II
549195.9134 17.4729 -3.8882 3 498.5448339 89503 3035655 1 5554 2 a-Alanine, conf. II
549195.9134 17.4729 -3.8882 3 498.5448339 89503 3035655 2 5554 1 a-Alanine, conf. II
549217.2475188.9691 -3.7318 3 1093.1312687 89503 303B4 9A5 B3 9A4 a-Alanine, conf. II
549217.2475188.9691 -3.7318 3 1093.1312687 89503 303B410A5 B310A4 a-Alanine, conf. II
549242.5437 82.1683 -3.6463 3 979.0810573 89503 303954353 944352 a-Alanine, conf. II
549247.4249 82.2947 -3.6463 3 979.0811573 89503 303954352 944351 a-Alanine, conf. II
549276.0061 75.1609 -3.7660 3 1026.2951579 89503 303964849 954848 a-Alanine, conf. II
549276.0063 75.1609 -3.7660 3 1026.2951579 89503 303964848 954847 a-Alanine, conf. II
549292.4146100.1912 -3.5686 3 946.1675567 89503 303944054 934053 a-Alanine, conf. II
549332.1618 8.1332 -4.0272 3 512.5373381 89503 303634617 624518 a-Alanine, conf. II
549332.1618 8.1332 -4.0272 3 512.5373381 89503 303634618 624517 a-Alanine, conf. II
549356.1910 7.9901 -4.1442 3 531.5478405 89503 303674126 664027 a-Alanine, conf. II
549356.1910 7.9901 -4.1442 3 531.5478405 89503 303674127 664026 a-Alanine, conf. II
549432.9671 18.9216 -4.1641 3 379.6803369 89503 303612140 601941 a-Alanine, conf. II
549457.5050 33.8652 -3.5697 3 957.5481579 89503 303963463 953462 a-Alanine, conf. II
549472.0151 47.3393 -3.6572 3 1013.9314609 89503 303A12774 A02773 a-Alanine, conf. II
549472.0151 47.3393 -3.6572 3 1013.9314609 89503 303A12874 A02873 a-Alanine, conf. II
549479.6620 76.0458 -3.7225 3 1072.0397657 89503 303A91693 A81692 a-Alanine, conf. II
549479.6620 76.0458 -3.7225 3 1072.0397657 89503 303A91793 A81792 a-Alanine, conf. II
549520.6735 33.9481 -3.5695 3 957.5439579 89503 303963363 953362 a-Alanine, conf. II
549563.1631 2.8924 -4.3384 3 313.6233345 89503 303571542 561343 a-Alanine, conf. II
549563.1809 2.8924 -4.3384 3 313.6233345 89503 303571642 561443 a-Alanine, conf. II
549570.1502 35.7431 -3.5212 3 929.8100567 89503 303943659 933658 a-Alanine, conf. II
549582.7318313.2078 -3.7315 3 1102.9470705 89503 303B7 5B2 B6 5B1 a-Alanine, conf. II
549582.7318313.2078 -3.7315 3 1102.9470705 89503 303B7 6B2 B6 6B1 a-Alanine, conf. II
549620.5680 72.1872 -3.9672 3 1100.6288585 89503 303975641 965640 a-Alanine, conf. II
549620.5680 72.1872 -3.9672 3 1100.6288585 89503 303975642 965641 a-Alanine, conf. II
549653.7673 36.0996 -3.5917 3 970.7920585 89503 303973365 963364 a-Alanine, conf. II
549656.7191 32.1142 -3.5457 3 943.8924573 89503 303953561 943560 a-Alanine, conf. II
549658.2820 36.1122 -3.5917 3 970.7917585 89503 303973265 963264 a-Alanine, conf. II
549690.7630 53.5641 -3.6908 3 1040.0031627 89503 303A42381 A32380 a-Alanine, conf. II
549690.7630 53.5641 -3.6908 3 1040.0031627 89503 303A42481 A32480 a-Alanine, conf. II
549823.1295 4.0460 -4.1659 3 366.3915351 89503 303582929 572730 a-Alanine, conf. II
549859.5473 4.0514 -4.1659 3 366.3903351 89503 303582930 572731 a-Alanine, conf. II
549861.2963488.1178 -3.7244 3 1109.2377723 89503 303C0 1B9 B9 1B8 a-Alanine, conf. II
549861.2963488.1178 -3.7244 3 1109.2377723 89503 303C0 2B9 B9 2B8 a-Alanine, conf. II
549884.2965 72.5689 -4.4605 3 1262.4459591 89503 303987226 977225 a-Alanine, conf. II
549884.2965 72.5689 -4.4605 3 1262.4459591 89503 303987227 977226 a-Alanine, conf. II
549908.9605 18.1500 -4.1634 3 379.6809369 89503 303612240 602041 a-Alanine, conf. II
549981.4015 11.3196 -3.9586 3 504.8290363 89503 303605010 594911 a-Alanine, conf. II
549981.4015 11.3196 -3.9586 3 504.8290363 89503 303605011 594910 a-Alanine, conf. II
549989.0080126.8119 -3.7343 3 1088.0239675 89503 303B212A0 B11299 a-Alanine, conf. II
549989.0080126.8119 -3.7343 3 1088.0239675 89503 303B213A0 B11399 a-Alanine, conf. II
549996.2567 24.2124 -4.0993 3 428.3842387 89503 303642639 632440 a-Alanine, conf. II
550110.5737 72.6073 -4.4252 3 1252.3123591 89503 303987127 977126 a-Alanine, conf. II
550110.5737 72.6073 -4.4252 3 1252.3123591 89503 303987128 977127 a-Alanine, conf. II
550157.4343 72.7515 -3.9429 3 1093.0132585 89503 303975542 965541 a-Alanine, conf. II
550157.4343 72.7515 -3.9429 3 1093.0132585 89503 303975543 965542 a-Alanine, conf. II
550174.0464 32.2199 -3.4466 3 892.6368555 89503 303923557 913556 a-Alanine, conf. II
550182.5066 60.8491 -3.7156 3 1062.2822645 89503 303A71988 A61987 a-Alanine, conf. II
550182.5066 60.8491 -3.7156 3 1062.2822645 89503 303A72088 A62087 a-Alanine, conf. II
550183.3203 38.6480 -3.6122 3 983.6769591 89503 303983267 973266 a-Alanine, conf. II
550183.5840 38.6491 -3.6122 3 983.6769591 89503 303983167 973166 a-Alanine, conf. II
550192.8003 15.0836 -4.0949 3 431.3080387 89503 303642738 632539 a-Alanine, conf. II
550258.2676 33.1270 -4.1388 3 409.8848381 89503 303632340 622141 a-Alanine, conf. II
550266.0988 76.8436 -3.7455 3 1020.0964579 89503 303964750 954749 a-Alanine, conf. II
550266.1008 76.8437 -3.7455 3 1020.0964579 89503 303964749 954748 a-Alanine, conf. II
550295.3472 8.6463 -4.1770 3 538.8379411 89503 303684028 673929 a-Alanine, conf. II
550295.3472 8.6463 -4.1770 3 538.8379411 89503 303684029 673928 a-Alanine, conf. II
550340.9405 32.7552 -3.5445 3 943.8440573 89503 303953461 943460 a-Alanine, conf. II
550348.1039 72.6628 -4.3908 3 1242.3306591 89503 303987028 977027 a-Alanine, conf. II
550348.1039 72.6628 -4.3908 3 1242.3306591 89503 303987029 977028 a-Alanine, conf. II
550420.5132218.4268 -3.7392 3 1100.4820693 89503 303B5 8A7 B4 8A6 a-Alanine, conf. II
550420.5132218.4268 -3.7392 3 1100.4820693 89503 303B5 9A7 B4 9A6 a-Alanine, conf. II
550436.7493 2.1721 -4.4287 3 295.2627339 89503 303561343 551144 a-Alanine, conf. II
550436.7495 2.1721 -4.4287 3 295.2627339 89503 303561443 551244 a-Alanine, conf. II
550479.0702 16.0486 -3.9038 3 501.3660345 89503 3035754 3 5653 4 a-Alanine, conf. II
550479.0702 16.0486 -3.9038 3 501.3660345 89503 3035754 4 5653 3 a-Alanine, conf. II
550507.3697 7.7347 -4.0515 3 518.1359387 89503 303644519 634420 a-Alanine, conf. II
550507.3697 7.7347 -4.0515 3 518.1359387 89503 303644520 634419 a-Alanine, conf. II
550586.0765 49.8112 -3.6731 3 1025.3885615 89503 303A22676 A12675 a-Alanine, conf. II
550586.0765 49.8112 -3.6731 3 1025.3885615 89503 303A22776 A12775 a-Alanine, conf. II
550597.6202 72.7367 -4.3573 3 1232.5013591 89503 303986929 976928 a-Alanine, conf. II
550597.6202 72.7367 -4.3573 3 1232.5013591 89503 303986930 976929 a-Alanine, conf. II
550719.8195 86.4128 -3.7329 3 1080.9370663 89503 303B01595 A91594 a-Alanine, conf. II
550719.8195 86.4128 -3.7329 3 1080.9370663 89503 303B01695 A91694 a-Alanine, conf. II
550732.9832 73.3973 -3.9191 3 1085.5673585 89503 303975443 965442 a-Alanine, conf. II
550732.9832 73.3973 -3.9191 3 1085.5673585 89503 303975444 965443 a-Alanine, conf. II
550761.6867355.9411 -3.7373 3 1109.4206711 89503 303B8 4B4 B7 4B3 a-Alanine, conf. II
550761.6867355.9411 -3.7373 3 1109.4206711 89503 303B8 5B4 B7 5B3 a-Alanine, conf. II
550788.2647 24.6163 -4.1498 3 394.6941375 89503 303622240 612041 a-Alanine, conf. II
550859.9228 72.8302 -4.3247 3 1222.8251591 89503 303986830 976829 a-Alanine, conf. II
550859.9228 72.8302 -4.3247 3 1222.8251591 89503 303986831 976830 a-Alanine, conf. II
550910.7874 55.4921 -3.7044 3 1050.4905633 89503 303A52283 A42282 a-Alanine, conf. II
550910.7874 55.4921 -3.7044 3 1050.4905633 89503 303A52383 A42382 a-Alanine, conf. II
550932.3846 41.4249 -3.6314 3 996.2427597 89503 303993169 983168 a-Alanine, conf. II
550932.3976 41.4249 -3.6314 3 996.2427597 89503 303993069 983068 a-Alanine, conf. II
550985.2569 5.0270 -4.1174 3 409.6255375 89503 303622835 612636 a-Alanine, conf. II
551006.1051 86.6106 -3.6275 3 973.9347573 89503 303954254 944253 a-Alanine, conf. II
551007.9551 88.4065 -3.5518 3 941.7675567 89503 303943956 933955 a-Alanine, conf. II
551020.4015546.4333 -3.7285 3 1114.8298729 89503 303C1 0C1 C0 0C0 a-Alanine, conf. II
551020.4015546.4333 -3.7285 3 1114.8298729 89503 303C1 1C1 C0 1C0 a-Alanine, conf. II
551039.8187 87.4169 -3.6274 3 973.9357573 89503 303954253 944252 a-Alanine, conf. II
551135.7772 9.4644 -4.2124 3 546.5321417 89503 303693930 683831 a-Alanine, conf. II
551135.7772 9.4644 -4.2124 3 546.5321417 89503 303693931 683830 a-Alanine, conf. II
551135.8885 72.9450 -4.2928 3 1213.3027591 89503 303986731 976730 a-Alanine, conf. II
551135.8885 72.9450 -4.2928 3 1213.3027591 89503 303986732 976731 a-Alanine, conf. II
551205.5771149.1246 -3.4598 3 898.0554555 89503 303923755 913754 a-Alanine, conf. II
551209.8229147.7160 -3.7430 3 1096.0419681 89503 303B311A2 B211A1 a-Alanine, conf. II
551209.8229147.7160 -3.7430 3 1096.0419681 89503 303B312A2 B212A1 a-Alanine, conf. II
551226.7180 10.3054 -3.9785 3 509.1926369 89503 303614912 604813 a-Alanine, conf. II
551226.7180 10.3054 -3.9785 3 509.1926369 89503 303614913 604812 a-Alanine, conf. II
551285.9059 6.9692 -4.4540 3 285.9549291 89503 303483414 473215 a-Alanine, conf. II
551285.9059 6.9692 -4.4540 3 285.9549291 89503 303483415 473216 a-Alanine, conf. II
551351.6822 74.1385 -3.8959 3 1078.2933585 89503 303975344 965343 a-Alanine, conf. II
551351.6822 74.1385 -3.8959 3 1078.2933585 89503 303975345 965344 a-Alanine, conf. II
551366.2110 78.8837 -3.7255 3 1014.0984579 89503 303964651 954650 a-Alanine, conf. II
551366.2307 78.8843 -3.7255 3 1014.0984579 89503 303964650 954649 a-Alanine, conf. II
551426.4503 65.4922 -3.7274 3 1071.8569651 89503 303A81890 A71889 a-Alanine, conf. II
551426.4503 65.4922 -3.7274 3 1071.8569651 89503 303A81990 A71989 a-Alanine, conf. II
551426.4801 73.0828 -4.2617 3 1203.9347591 89503 303986632 976631 a-Alanine, conf. II
551426.4801 73.0828 -4.2617 3 1203.9347591 89503 303986633 976632 a-Alanine, conf. II
551616.7850251.3423 -3.7462 3 1107.6238699 89503 303B6 7A9 B5 7A8 a-Alanine, conf. II
551616.7850251.3423 -3.7462 3 1107.6238699 89503 303B6 8A9 B5 8A8 a-Alanine, conf. II
551650.3549 7.5804 -4.0773 3 524.1027393 89503 303654421 644322 a-Alanine, conf. II
551650.3549 7.5804 -4.0773 3 524.1027393 89503 303654422 644321 a-Alanine, conf. II
551706.2845 8.9221 -4.2386 3 346.4500357 89503 303591841 581642 a-Alanine, conf. II
551710.6987 8.9165 -4.2386 3 346.4500357 89503 303591941 581742 a-Alanine, conf. II
551732.7576 73.2457 -4.2313 3 1194.7219591 89503 303986533 976532 a-Alanine, conf. II
551732.7576 73.2457 -4.2313 3 1194.7219591 89503 303986534 976533 a-Alanine, conf. II
551740.7863 52.0751 -3.6885 3 1036.6044621 89503 303A32578 A22577 a-Alanine, conf. II
551740.7863 52.0751 -3.6885 3 1036.6044621 89503 303A32678 A22677 a-Alanine, conf. II
551756.5352 14.6929 -3.9202 3 504.5311351 89503 3035853 5 5752 6 a-Alanine, conf. II
551756.5352 14.6929 -3.9202 3 504.5311351 89503 3035853 6 5752 5 a-Alanine, conf. II
551827.9919 44.2946 -3.6497 3 1008.5165603 89503 303A03071 993070 a-Alanine, conf. II
551827.9924 44.2946 -3.6497 3 1008.5165603 89503 303A02971 992970 a-Alanine, conf. II
551845.8250 10.4054 -4.2511 3 554.6438423 89503 303703833 693732 a-Alanine, conf. II
551845.8253 10.4054 -4.2511 3 554.6438423 89503 303703832 693733 a-Alanine, conf. II
551879.0370 13.8098 -4.4616 3 591.7054447 89503 303743441 733340 a-Alanine, conf. II
551934.6647402.7535 -3.7426 3 1115.6841717 89503 303B9 3B6 B8 3B5 a-Alanine, conf. II
551934.6647402.7535 -3.7426 3 1115.6841717 89503 303B9 4B6 B8 4B5 a-Alanine, conf. II
551955.2093 99.4229 -3.7428 3 1089.6242669 89503 303B11497 B01496 a-Alanine, conf. II
551955.2093 99.4229 -3.7428 3 1089.6242669 89503 303B11597 B01596 a-Alanine, conf. II
552014.5254150.2820 -3.5047 3 919.7085561 89503 303933855 923854 a-Alanine, conf. II
552014.6876 14.5203 -4.4614 3 591.7020447 89503 303743440 733341 a-Alanine, conf. II
552018.8181 74.9923 -3.8732 3 1071.1941585 89503 303975245 965244 a-Alanine, conf. II
552018.8181 74.9923 -3.8732 3 1071.1941585 89503 303975246 965245 a-Alanine, conf. II
552055.8925 73.4361 -4.2016 3 1185.6653591 89503 303986434 976433 a-Alanine, conf. II
552055.8925 73.4361 -4.2016 3 1185.6653591 89503 303986435 976434 a-Alanine, conf. II
552141.3017 57.6491 -3.7176 3 1060.7563639 89503 303A62185 A52184 a-Alanine, conf. II
552141.3017 57.6491 -3.7176 3 1060.7563639 89503 303A62285 A52284 a-Alanine, conf. II
552191.4840 53.0397 -3.5262 3 933.7405567 89503 303943758 933757 a-Alanine, conf. II
552255.8869 22.0836 -4.1479 3 394.6964375 89503 303622340 612141 a-Alanine, conf. II
552312.5540 41.8459 -3.4793 3 910.9886561 89503 303933558 923557 a-Alanine, conf. II
552379.5955 11.4284 -4.2937 3 563.1898429 89503 303713735 703634 a-Alanine, conf. II
552379.6063 11.4284 -4.2937 3 563.1898429 89503 303713734 703635 a-Alanine, conf. II
552397.1829 73.6566 -4.1727 3 1176.7656591 89503 303986335 976334 a-Alanine, conf. II
552397.1829 73.6566 -4.1727 3 1176.7656591 89503 303986336 976335 a-Alanine, conf. II
552423.8279171.7467 -3.7513 3 1103.8510687 89503 303B410A4 B310A3 a-Alanine, conf. II
552423.8279171.7467 -3.7513 3 1103.8510687 89503 303B411A4 B311A3 a-Alanine, conf. II
552457.2472 9.4251 -3.9996 3 513.9103375 89503 303624814 614715 a-Alanine, conf. II
552457.2472 9.4251 -3.9996 3 513.9103375 89503 303624815 614714 a-Alanine, conf. II
552460.1456 4.0402 -4.2083 3 348.1051339 89503 303563026 552827 a-Alanine, conf. II
552460.7436 4.0401 -4.2083 3 348.1051339 89503 303563027 552828 a-Alanine, conf. II
552543.2014 5.8926 -4.3764 3 299.9434303 89503 303503317 493118 a-Alanine, conf. II
552543.2014 5.8926 -4.3764 3 299.9434303 89503 303503318 493119 a-Alanine, conf. II
552549.0601 75.7086 -3.5365 3 937.6649567 89503 303943857 933856 a-Alanine, conf. II
552589.6436 13.4445 -4.3962 3 581.6820441 89503 303733539 723438 a-Alanine, conf. II
552597.0751 13.4871 -4.3961 3 581.6818441 89503 303733538 723439 a-Alanine, conf. II
552600.3924 81.4016 -3.7059 3 1008.3092579 89503 303964552 954551 a-Alanine, conf. II
552600.5687 81.4070 -3.7059 3 1008.3092579 89503 303964551 954550 a-Alanine, conf. II
552666.9311 12.4791 -4.3414 3 572.1923435 89503 303723637 713536 a-Alanine, conf. II
552667.2489 12.4810 -4.3414 3 572.1923435 89503 303723636 713537 a-Alanine, conf. II
552669.4334 71.8795 -3.7387 3 1081.2186657 89503 303A91792 A81791 a-Alanine, conf. II
552669.4334 71.8795 -3.7387 3 1081.2186657 89503 303A91892 A81891 a-Alanine, conf. II
552740.7190 75.9808 -3.8510 3 1064.2729585 89503 303975146 965145 a-Alanine, conf. II
552740.7190 75.9808 -3.8510 3 1064.2729585 89503 303975147 965146 a-Alanine, conf. II
552752.9753 7.6842 -4.1047 3 530.4431399 89503 303664323 654224 a-Alanine, conf. II
552752.9753 7.6842 -4.1047 3 530.4431399 89503 303664324 654223 a-Alanine, conf. II
552758.0733 73.9105 -4.1443 3 1168.0240591 89503 303986236 976235 a-Alanine, conf. II
552758.0733 73.9105 -4.1443 3 1168.0240591 89503 303986237 976236 a-Alanine, conf. II
552806.2683287.8810 -3.7528 3 1114.5563705 89503 303B7 6B1 B6 6B0 a-Alanine, conf. II
552806.2683287.8810 -3.7528 3 1114.5563705 89503 303B7 7B1 B6 7B0 a-Alanine, conf. II
552825.0572 47.1297 -3.6671 3 1020.5175609 89503 303A12873 A02872 a-Alanine, conf. II
552825.0572 47.1297 -3.6671 3 1020.5175609 89503 303A12973 A02972 a-Alanine, conf. II
552924.8190 54.1508 -3.7033 3 1047.5861627 89503 303A42480 A32479 a-Alanine, conf. II
552924.8190 54.1508 -3.7033 3 1047.5861627 89503 303A42580 A32579 a-Alanine, conf. II
552958.3836 66.0442 -4.0711 3 514.9802423 89503 303702842 692643 a-Alanine, conf. II
553026.9843 13.4131 -3.9376 3 508.0418357 89503 3035952 7 5851 8 a-Alanine, conf. II
553026.9843 13.4131 -3.9376 3 508.0418357 89503 3035952 8 5851 7 a-Alanine, conf. II
553072.3902 91.7455 -3.6089 3 969.0504573 89503 303954155 944154 a-Alanine, conf. II
553102.1808453.8506 -3.7476 3 1121.7371723 89503 303C0 2B8 B9 2B7 a-Alanine, conf. II
553102.1808453.8506 -3.7476 3 1121.7371723 89503 303C0 3B8 B9 3B7 a-Alanine, conf. II
553140.1770 74.2013 -4.1167 3 1159.4414591 89503 303986137 976136 a-Alanine, conf. II
553140.1770 74.2013 -4.1167 3 1159.4414591 89503 303986138 976137 a-Alanine, conf. II
553185.0577115.2584 -3.7524 3 1098.1015675 89503 303B21399 B11398 a-Alanine, conf. II
553185.0577115.2584 -3.7524 3 1098.1015675 89503 303B21499 B11498 a-Alanine, conf. II
553277.7542 96.2249 -3.6086 3 969.0570573 89503 303954154 944153 a-Alanine, conf. II
553319.0380 4.9912 -4.3116 3 314.9403315 89503 303523220 513021 a-Alanine, conf. II
553319.0380 4.9912 -4.3116 3 314.9403315 89503 303523221 513022 a-Alanine, conf. II
553378.2273 60.3463 -3.7303 3 1070.8035645 89503 303A72087 A62086 a-Alanine, conf. II
553378.2273 60.3463 -3.7303 3 1070.8035645 89503 303A72187 A62186 a-Alanine, conf. II
553405.9201 4.3471 -4.2563 3 330.9787327 89503 303543123 532924 a-Alanine, conf. II
553405.9259 4.3471 -4.2563 3 330.9787327 89503 303543124 532925 a-Alanine, conf. II
553489.4072 18.6794 -3.8881 3 506.3704339 89503 3035656 0 5555 1 a-Alanine, conf. II
553489.4072 18.6794 -3.8881 3 506.3704339 89503 3035656 1 5555 0 a-Alanine, conf. II
553525.0616 77.1324 -3.8293 3 1057.5333585 89503 303975047 965046 a-Alanine, conf. II
553525.0616 77.1324 -3.8293 3 1057.5333585 89503 303975048 965047 a-Alanine, conf. II
553545.3038 74.5335 -4.0897 3 1151.0192591 89503 303986038 976037 a-Alanine, conf. II
553545.3038 74.5335 -4.0897 3 1151.0192591 89503 303986039 976038 a-Alanine, conf. II
553579.6407 4.2195 -4.1591 3 377.6369357 89503 303592930 582731 a-Alanine, conf. II
553630.9173199.0343 -3.7592 3 1111.4511693 89503 303B5 9A6 B4 9A5 a-Alanine, conf. II
553630.9173199.0343 -3.7592 3 1111.4511693 89503 303B510A6 B410A5 a-Alanine, conf. II
553635.9382131.4277 -3.5476 3 941.8735567 89503 303943955 933954 a-Alanine, conf. II
553636.9854 35.8085 -3.5967 3 975.8760585 89503 303973464 963463 a-Alanine, conf. II
553664.7971 4.2322 -4.1590 3 377.6339357 89503 303592931 582732 a-Alanine, conf. II
553668.6077 35.8623 -3.5966 3 975.8740585 89503 303973364 963363 a-Alanine, conf. II
553669.4887 8.7097 -4.0218 3 518.9854381 89503 303634716 624617 a-Alanine, conf. II
553669.4887 8.7097 -4.0218 3 518.9854381 89503 303634717 624616 a-Alanine, conf. II
553753.7686 33.7920 -3.5730 3 962.2270579 89503 303963562 953561 a-Alanine, conf. II
553804.7302 8.0380 -4.1339 3 537.1636405 89503 303674225 664126 a-Alanine, conf. II
553804.7302 8.0380 -4.1339 3 537.1636405 89503 303674226 664125 a-Alanine, conf. II
553894.2042 49.8318 -3.6838 3 1032.2598615 89503 303A22775 A12774 a-Alanine, conf. II
553894.2042 49.8318 -3.6838 3 1032.2598615 89503 303A22875 A12874 a-Alanine, conf. II
553909.8255 80.4236 -3.7496 3 1090.3683663 89503 303B01694 A91693 a-Alanine, conf. II
553909.8255 80.4236 -3.7496 3 1090.3683663 89503 303B01794 A91793 a-Alanine, conf. II
553926.5187 38.1969 -3.6186 3 989.1265591 89503 303983366 973365 a-Alanine, conf. II
553926.7611 34.5993 -3.5479 3 948.1417573 89503 303953660 943659 a-Alanine, conf. II
553928.6587 38.2040 -3.6186 3 989.1263591 89503 303983266 973265 a-Alanine, conf. II
553975.4939 74.9121 -4.0633 3 1142.7586591 89503 303985939 975938 a-Alanine, conf. II
553975.4939 74.9121 -4.0633 3 1142.7586591 89503 303985940 975939 a-Alanine, conf. II
553989.2630328.2202 -3.7591 3 1121.2791711 89503 303B8 5B3 B7 5B2 a-Alanine, conf. II
553989.2630328.2202 -3.7591 3 1121.2791711 89503 303B8 6B3 B7 6B2 a-Alanine, conf. II
554001.9667 84.5759 -3.6866 3 1002.7392579 89503 303964453 954452 a-Alanine, conf. II
554003.4023 84.6168 -3.6866 3 1002.7392579 89503 303964452 954451 a-Alanine, conf. II
554122.9496 34.1143 -3.5723 3 962.2014579 89503 303963462 953461 a-Alanine, conf. II
554129.7362 56.1179 -3.7176 3 1058.3388633 89503 303A52382 A42381 a-Alanine, conf. II
554129.7362 56.1179 -3.7176 3 1058.3388633 89503 303A52482 A42481 a-Alanine, conf. II
554264.8218509.4477 -3.7522 3 1127.5791729 89503 303C1 1C0 C0 1B9 a-Alanine, conf. II
554264.8218509.4477 -3.7522 3 1127.5791729 89503 303C1 2C0 C0 2B9 a-Alanine, conf. II
554288.7896 12.2203 -3.9559 3 511.9003363 89503 3036051 9 595010 a-Alanine, conf. II
554288.7896 12.2203 -3.9559 3 511.9003363 89503 303605110 5950 9 a-Alanine, conf. II
554293.9231 5.8745 -4.1139 3 421.7894381 89503 303632836 622637 a-Alanine, conf. II
554344.9367 4.5377 -4.3061 3 327.9591351 89503 303581642 571443 a-Alanine, conf. II
554345.0271 4.5377 -4.3061 3 327.9591351 89503 303581742 571543 a-Alanine, conf. II
554358.1033 25.8923 -4.1342 3 409.8928381 89503 303632440 622241 a-Alanine, conf. II
554381.3043 78.4844 -3.8081 3 1050.9797585 89503 303974948 964947 a-Alanine, conf. II
554381.3043 78.4844 -3.8081 3 1050.9797585 89503 303974949 964948 a-Alanine, conf. II
554408.8104134.0607 -3.7616 3 1106.3695681 89503 303B312A1 B212A0 a-Alanine, conf. II
554408.8104134.0607 -3.7616 3 1106.3695681 89503 303B313A1 B213A0 a-Alanine, conf. II
554433.0591 75.3431 -4.0375 3 1134.6611591 89503 303985840 975839 a-Alanine, conf. II
554433.0591 75.3431 -4.0375 3 1134.6611591 89503 303985841 975840 a-Alanine, conf. II
554435.3828 8.8273 -4.0745 3 517.2443423 89503 303702941 692742 a-Alanine, conf. II
554456.6811 43.1445 -3.5112 3 929.4118567 89503 303943559 933558 a-Alanine, conf. II
554516.3107 40.8953 -3.6390 3 1002.0290597 89503 303993268 983267 a-Alanine, conf. II
554516.4303 40.8959 -3.6390 3 1002.0290597 89503 303993168 983167 a-Alanine, conf. II
554618.3759 63.9811 -3.7426 3 1080.6343651 89503 303A81989 A71988 a-Alanine, conf. II
554618.3759 63.9811 -3.7426 3 1080.6343651 89503 303A82089 A72088 a-Alanine, conf. II
554774.3382 17.1952 -3.9032 3 509.0417345 89503 3035755 2 5654 3 a-Alanine, conf. II
554774.3382 17.1952 -3.9032 3 509.0417345 89503 3035755 3 5654 2 a-Alanine, conf. II
554791.8743 8.6147 -4.1652 3 544.2720411 89503 303684127 674028 a-Alanine, conf. II
554791.8743 8.6147 -4.1652 3 544.2720411 89503 303684128 674027 a-Alanine, conf. II
554831.1126229.7214 -3.7667 3 1118.8421699 89503 303B6 8A8 B5 8A7 a-Alanine, conf. II
554831.1126229.7214 -3.7667 3 1118.8421699 89503 303B6 9A8 B5 9A7 a-Alanine, conf. II
554859.0798 8.1954 -4.0454 3 524.4215387 89503 303644618 634519 a-Alanine, conf. II
554859.0798 8.1954 -4.0454 3 524.4215387 89503 303644619 634518 a-Alanine, conf. II
554920.6344 75.8336 -4.0122 3 1126.7284591 89503 303985741 975740 a-Alanine, conf. II
554920.6344 75.8336 -4.0122 3 1126.7284591 89503 303985742 975741 a-Alanine, conf. II
555015.3137 52.3393 -3.6999 3 1043.7540621 89503 303A32677 A22676 a-Alanine, conf. II
555015.3137 52.3393 -3.6999 3 1043.7540621 89503 303A32777 A22776 a-Alanine, conf. II
555146.3630 91.4568 -3.7601 3 1099.3071669 89503 303B11596 B01595 a-Alanine, conf. II
555146.3630 91.4568 -3.7601 3 1099.3071669 89503 303B11696 B01695 a-Alanine, conf. II
555166.1559372.5488 -3.7650 3 1127.7920717 89503 303B9 4B5 B8 4B4 a-Alanine, conf. II
555166.1559372.5488 -3.7650 3 1127.7920717 89503 303B9 5B5 B8 5B4 a-Alanine, conf. II
555303.1197 43.7965 -3.6582 3 1014.6198603 89503 303A03170 993169 a-Alanine, conf. II
555303.1254 43.7966 -3.6582 3 1014.6198603 89503 303A03070 993069 a-Alanine, conf. II
555321.3178 80.0874 -3.7873 3 1044.6170585 89503 303974850 964849 a-Alanine, conf. II
555321.3183 80.0874 -3.7873 3 1044.6170585 89503 303974849 964848 a-Alanine, conf. II
555349.1322 58.1284 -3.7314 3 1068.8669639 89503 303A62284 A52283 a-Alanine, conf. II
555349.1322 58.1284 -3.7314 3 1068.8669639 89503 303A62384 A52383 a-Alanine, conf. II
555394.1478 95.1519 -3.5906 3 964.4510573 89503 303954056 944055 a-Alanine, conf. II
555423.2422569.7691 -3.7565 3 1133.2099735 89503 303C2 0C2 C1 0C1 a-Alanine, conf. II
555423.2422569.7691 -3.7565 3 1133.2099735 89503 303C2 1C2 C1 1C1 a-Alanine, conf. II
555441.2427 76.3923 -3.9876 3 1118.9622591 89503 303985642 975641 a-Alanine, conf. II
555441.2427 76.3923 -3.9876 3 1118.9622591 89503 303985643 975642 a-Alanine, conf. II
555511.3876 22.6788 -4.0997 3 503.2926417 89503 303692940 682741 a-Alanine, conf. II
555513.0178 11.7455 -4.2163 3 361.1504363 89503 303601941 591742 a-Alanine, conf. II
555530.7373 11.7199 -4.2163 3 361.1504363 89503 303602041 591842 a-Alanine, conf. II
555539.9484 11.1301 -3.9753 3 516.1087369 89503 303615011 604912 a-Alanine, conf. II
555539.9484 11.1301 -3.9753 3 516.1087369 89503 303615012 604911 a-Alanine, conf. II
555617.6177 88.6447 -3.6677 3 997.4018579 89503 303964354 954353 a-Alanine, conf. II
555626.0990155.9543 -3.7705 3 1114.4283687 89503 303B411A3 B311A2 a-Alanine, conf. II
555626.0990155.9543 -3.7705 3 1114.4283687 89503 303B412A3 B312A2 a-Alanine, conf. II
555628.1882 88.9245 -3.6677 3 997.4021579 89503 303964353 954352 a-Alanine, conf. II
555668.3205 1.9741 -4.3874 3 309.4240345 89503 303571443 561244 a-Alanine, conf. II
555668.3217 1.9741 -4.3874 3 309.4240345 89503 303571543 561344 a-Alanine, conf. II
555674.3486 77.9454 -3.4389 3 895.2522555 89503 303923656 913655 a-Alanine, conf. II
555696.0752 9.3772 -4.1989 3 551.7774417 89503 303694029 683930 a-Alanine, conf. II
555696.0752 9.3772 -4.1989 3 551.7774417 89503 303694030 683929 a-Alanine, conf. II
555751.8711 76.4489 -4.4408 3 1270.6620597 89503 303997128 987127 a-Alanine, conf. II
555751.8711 76.4489 -4.4408 3 1270.6620597 89503 303997129 987128 a-Alanine, conf. II
555859.2458 69.0078 -3.7545 3 1090.2505657 89503 303A91891 A81890 a-Alanine, conf. II
555859.2458 69.0078 -3.7545 3 1090.2505657 89503 303A91991 A81990 a-Alanine, conf. II
555997.2317 76.5250 -4.4070 3 1260.6882597 89503 303997029 987028 a-Alanine, conf. II
555997.2317 76.5250 -4.4070 3 1260.6882597 89503 303997030 987029 a-Alanine, conf. II
555998.3771 77.0297 -3.9635 3 1111.3645591 89503 303985543 975542 a-Alanine, conf. II
555998.3771 77.0297 -3.9635 3 1111.3645591 89503 303985544 975543 a-Alanine, conf. II
556020.5493 7.9164 -4.0703 3 530.2228393 89503 303654520 644421 a-Alanine, conf. II
556020.5493 7.9164 -4.0703 3 530.2228393 89503 303654521 644420 a-Alanine, conf. II
556024.5485263.9635 -3.7739 3 1126.0238705 89503 303B7 7B0 B6 7A9 a-Alanine, conf. II
556024.5485263.9635 -3.7739 3 1126.0238705 89503 303B7 8B0 B6 8A9 a-Alanine, conf. II
556054.1263 15.7780 -3.9192 3 512.0559351 89503 3035854 4 5753 5 a-Alanine, conf. II
556054.1263 15.7780 -3.9192 3 512.0559351 89503 3035854 5 5753 4 a-Alanine, conf. II
556174.0690 54.6329 -3.7154 3 1055.0085627 89503 303A42579 A32578 a-Alanine, conf. II
556174.0690 54.6329 -3.7154 3 1055.0085627 89503 303A42679 A32678 a-Alanine, conf. II
556222.9507 46.7607 -3.6766 3 1026.9235609 89503 303A13072 A03071 a-Alanine, conf. II
556222.9509 46.7607 -3.6766 3 1026.9235609 89503 303A12972 A02971 a-Alanine, conf. II
556254.9948 76.6209 -4.3740 3 1250.8673597 89503 303996930 986929 a-Alanine, conf. II
556254.9948 76.6209 -4.3740 3 1250.8673597 89503 303996931 986930 a-Alanine, conf. II
556337.4142421.0661 -3.7705 3 1134.0947723 89503 303C0 3B7 B9 3B6 a-Alanine, conf. II
556337.4142421.0661 -3.7705 3 1134.0947723 89503 303C0 4B7 B9 4B6 a-Alanine, conf. II
556360.3357 82.0114 -3.7670 3 1038.4513585 89503 303974751 964750 a-Alanine, conf. II
556360.3407 82.0116 -3.7670 3 1038.4513585 89503 303974750 964749 a-Alanine, conf. II
556378.0828105.2248 -3.7702 3 1108.0354675 89503 303B21498 B11497 a-Alanine, conf. II
556378.0828105.2248 -3.7702 3 1108.0354675 89503 303B21598 B11597 a-Alanine, conf. II
556462.7541115.8143 -3.5889 3 964.4899573 89503 303954055 944054 a-Alanine, conf. II
556492.2929 10.2867 -4.2354 3 559.6914423 89503 303703932 693831 a-Alanine, conf. II
556492.2930 10.2867 -4.2354 3 559.6914423 89503 303703931 693832 a-Alanine, conf. II
556513.6297 6.8088 -4.4298 3 295.0500297 89503 303493415 483216 a-Alanine, conf. II
556513.6297 6.8088 -4.4298 3 295.0500297 89503 303493416 483217 a-Alanine, conf. II
556525.9948 76.7379 -4.3418 3 1241.1998597 89503 303996831 986830 a-Alanine, conf. II
556525.9948 76.7379 -4.3418 3 1241.1998597 89503 303996832 986831 a-Alanine, conf. II
556578.0753 60.4213 -3.7447 3 1079.1738645 89503 303A72186 A62185 a-Alanine, conf. II
556578.0753 60.4213 -3.7447 3 1079.1738645 89503 303A72286 A62285 a-Alanine, conf. II
556596.1072 77.7587 -3.9400 3 1103.9377591 89503 303985444 975443 a-Alanine, conf. II
556596.1072 77.7587 -3.9400 3 1103.9377591 89503 303985445 975444 a-Alanine, conf. II
556697.3956 28.6695 -4.1228 3 425.2636387 89503 303642540 632341 a-Alanine, conf. II
556777.9937 10.1640 -3.9957 3 520.6696375 89503 303624913 614814 a-Alanine, conf. II
556777.9937 10.1640 -3.9957 3 520.6696375 89503 303624914 614813 a-Alanine, conf. II
556811.1461 76.8780 -4.3104 3 1231.6866597 89503 303996732 986731 a-Alanine, conf. II
556811.1461 76.8780 -4.3104 3 1231.6866597 89503 303996733 986732 a-Alanine, conf. II
556821.8642 4.1457 -4.1993 3 358.8860345 89503 303573027 562828 a-Alanine, conf. II
556823.4575 4.1458 -4.1993 3 358.8860345 89503 303573028 562829 a-Alanine, conf. II
556836.7162181.0638 -3.7789 3 1122.2779693 89503 303B510A5 B410A4 a-Alanine, conf. II
556836.7162181.0638 -3.7789 3 1122.2779693 89503 303B511A5 B411A4 a-Alanine, conf. II
556970.3709 40.2220 -3.5421 3 947.9065573 89503 303953560 943559 a-Alanine, conf. II
557098.8744 75.8861 -3.7660 3 1099.6537663 89503 303B01793 A91792 a-Alanine, conf. II
557098.8744 75.8861 -3.7660 3 1099.6537663 89503 303B01893 A91892 a-Alanine, conf. II
557100.8882 4.4166 -4.1533 3 389.0997363 89503 303602931 592732 a-Alanine, conf. II
557111.4537 77.0432 -4.2797 3 1222.3283597 89503 303996633 986632 a-Alanine, conf. II
557111.4537 77.0432 -4.2797 3 1222.3283597 89503 303996634 986633 a-Alanine, conf. II
557145.2543 11.3045 -4.2752 3 568.0282429 89503 303713834 703733 a-Alanine, conf. II
557145.2552 11.3045 -4.2752 3 568.0282429 89503 303713833 703734 a-Alanine, conf. II
557146.9803 7.8960 -4.0967 3 536.3944399 89503 303664422 654323 a-Alanine, conf. II
557146.9803 7.8960 -4.0967 3 536.3944399 89503 303664423 654322 a-Alanine, conf. II
557211.4622301.9294 -3.7807 3 1132.9959711 89503 303B8 6B2 B7 6B1 a-Alanine, conf. II
557211.4622301.9294 -3.7807 3 1132.9959711 89503 303B8 7B2 B7 7B1 a-Alanine, conf. II
557233.2547 47.5332 -3.5516 3 952.1596573 89503 303953759 943758 a-Alanine, conf. II
557235.7356 49.6636 -3.6941 3 1038.9577615 89503 303A22874 A12873 a-Alanine, conf. II
557235.7356 49.6636 -3.6941 3 1038.9577615 89503 303A22974 A12973 a-Alanine, conf. II
557237.8835 20.5823 -4.1022 3 443.8331393 89503 303652739 642540 a-Alanine, conf. II
557239.2180 78.5951 -3.9169 3 1096.6844591 89503 303985345 975344 a-Alanine, conf. II
557239.2180 78.5951 -3.9169 3 1096.6844591 89503 303985346 975345 a-Alanine, conf. II
557293.5215 4.4361 -4.1530 3 389.0931363 89503 303602932 592733 a-Alanine, conf. II
557327.6021 14.4344 -3.9361 3 515.4149357 89503 3035953 6 5852 7 a-Alanine, conf. II
557327.6021 14.4344 -3.9361 3 515.4149357 89503 3035953 7 5852 6 a-Alanine, conf. II
557359.9801 56.7440 -3.7303 3 1066.0297633 89503 303A52481 A42480 a-Alanine, conf. II
557359.9801 56.7440 -3.7303 3 1066.0297633 89503 303A52581 A42580 a-Alanine, conf. II
557411.5494 25.7793 -4.0652 3 531.3509429 89503 303712942 702743 a-Alanine, conf. II
557428.0259 77.2356 -4.2497 3 1213.1258597 89503 303996534 986533 a-Alanine, conf. II
557428.0259 77.2356 -4.2497 3 1213.1258597 89503 303996535 986534 a-Alanine, conf. II
557442.7707 58.8429 -4.1389 3 453.3326399 89503 303662541 652342 a-Alanine, conf. II
557503.5805473.9816 -3.7757 3 1140.1866729 89503 303C1 2B9 C0 2B8 a-Alanine, conf. II
557503.5805473.9816 -3.7757 3 1140.1866729 89503 303C1 3B9 C0 3B8 a-Alanine, conf. II
557506.6755 93.7400 -3.6489 3 992.3143579 89503 303964255 954254 a-Alanine, conf. II
557518.4373 84.3570 -3.7472 3 1032.4900585 89503 303974652 964651 a-Alanine, conf. II
557518.4849 84.3586 -3.7472 3 1032.4900585 89503 303974651 964650 a-Alanine, conf. II
557542.6490 90.2441 -3.5735 3 960.1472573 89503 303953957 943956 a-Alanine, conf. II
557548.7651 14.3835 -4.4265 3 595.7918447 89503 303743540 733439 a-Alanine, conf. II
557566.3817 14.4874 -4.4264 3 595.7913447 89503 303743539 733440 a-Alanine, conf. II
557576.1475 95.4315 -3.6488 3 992.3164579 89503 303964254 954253 a-Alanine, conf. II
557603.1848 12.3871 -4.3193 3 576.8059435 89503 303723736 713635 a-Alanine, conf. II
557603.2145 12.3873 -4.3193 3 576.8059435 89503 303723735 713636 a-Alanine, conf. II
557604.2718121.9066 -3.7800 3 1116.5538681 89503 303B313A0 B21399 a-Alanine, conf. II
557604.2718121.9066 -3.7800 3 1116.5538681 89503 303B314A0 B21499 a-Alanine, conf. II
557650.2760 5.7585 -4.3575 3 309.4450309 89503 303513318 503119 a-Alanine, conf. II
557650.2760 5.7585 -4.3575 3 309.4450309 89503 303513319 503120 a-Alanine, conf. II
557762.0881 77.4580 -4.2204 3 1204.0799597 89503 303996435 986434 a-Alanine, conf. II
557762.0881 77.4580 -4.2204 3 1204.0799597 89503 303996436 986435 a-Alanine, conf. II
557785.3688 13.4694 -4.3690 3 586.0491441 89503 303733638 723537 a-Alanine, conf. II
557786.1812 13.4745 -4.3690 3 586.0491441 89503 303733637 723538 a-Alanine, conf. II
557812.7295 63.3286 -3.7576 3 1089.2622651 89503 303A82088 A72087 a-Alanine, conf. II
557812.7295 63.3286 -3.7576 3 1089.2622651 89503 303A82188 A72187 a-Alanine, conf. II
557840.1160 37.8528 -3.6241 3 994.3434591 89503 303983465 973464 a-Alanine, conf. II
557855.7104 37.8865 -3.6241 3 994.3424591 89503 303983365 973364 a-Alanine, conf. II
557856.2803 35.6509 -3.6006 3 980.6982585 89503 303973563 963562 a-Alanine, conf. II
557933.3957 79.5591 -3.8944 3 1089.6075591 89503 303985246 975245 a-Alanine, conf. II
557933.3957 79.5591 -3.8944 3 1089.6075591 89503 303985247 975246 a-Alanine, conf. II
557974.0884 7.6099 -4.1119 3 434.1605387 89503 303642837 632638 a-Alanine, conf. II
557999.8780 9.3507 -4.0172 3 525.5859381 89503 303634815 624716 a-Alanine, conf. II
557999.8780 9.3507 -4.0172 3 525.5859381 89503 303634816 624715 a-Alanine, conf. II
558040.5950209.5226 -3.7870 3 1129.9182699 89503 303B6 9A7 B5 9A6 a-Alanine, conf. II
558040.5950209.5226 -3.7870 3 1129.9182699 89503 303B610A7 B510A6 a-Alanine, conf. II
558050.9869 35.8404 -3.6003 3 980.6850585 89503 303973463 963462 a-Alanine, conf. II
558115.0005 77.7135 -4.1918 3 1195.1916597 89503 303996336 986335 a-Alanine, conf. II
558115.0005 77.7135 -4.1918 3 1195.1916597 89503 303996337 986336 a-Alanine, conf. II
558116.2964 4.3507 -4.2446 3 341.3196333 89503 303553124 542925 a-Alanine, conf. II
558116.3141 4.3507 -4.2446 3 341.3196333 89503 303553125 542926 a-Alanine, conf. II
558136.3993 34.8413 -3.5754 3 966.6187579 89503 303963661 953660 a-Alanine, conf. II
558214.0250 40.4007 -3.6458 3 1007.6035597 89503 303993367 983366 a-Alanine, conf. II
558215.0278 40.4046 -3.6458 3 1007.6034597 89503 303993267 983266 a-Alanine, conf. II
558229.5385 8.1370 -4.1248 3 542.9420405 89503 303674324 664225 a-Alanine, conf. II
558229.5385 8.1370 -4.1248 3 542.9420405 89503 303674325 664224 a-Alanine, conf. II
558261.6910 4.9092 -4.2967 3 324.8563321 89503 303533221 523022 a-Alanine, conf. II
558261.6911 4.9092 -4.2967 3 324.8563321 89503 303533222 523023 a-Alanine, conf. II
558314.9677 52.4130 -3.7109 3 1050.7357621 89503 303A32776 A22775 a-Alanine, conf. II
558314.9677 52.4130 -3.7109 3 1050.7357621 89503 303A32876 A22875 a-Alanine, conf. II
558335.7299 85.0261 -3.7771 3 1108.8448669 89503 303B11695 B01694 a-Alanine, conf. II
558335.7299 85.0261 -3.7771 3 1108.8448669 89503 303B11795 B01794 a-Alanine, conf. II
558392.1837343.8000 -3.7871 3 1139.7582717 89503 303B9 5B4 B8 5B3 a-Alanine, conf. II
558392.1837343.8000 -3.7871 3 1139.7582717 89503 303B9 6B4 B8 6B3 a-Alanine, conf. II
558487.8921 71.5138 -3.5598 3 956.0960573 89503 303953858 943857 a-Alanine, conf. II
558488.2783 78.0055 -4.1638 3 1186.4620597 89503 303996237 986236 a-Alanine, conf. II
558488.2783 78.0055 -4.1638 3 1186.4620597 89503 303996238 986237 a-Alanine, conf. II
558552.4205 82.3744 -4.1176 3 498.6130417 89503 303692742 682543 a-Alanine, conf. II
558565.1858 58.7661 -3.7448 3 1076.8226639 89503 303A62383 A52382 a-Alanine, conf. II
558565.1858 58.7661 -3.7448 3 1076.8226639 89503 303A62483 A52482 a-Alanine, conf. II
558593.3303 13.1737 -3.9539 3 519.1203363 89503 3036052 8 5951 9 a-Alanine, conf. II
558593.3303 13.1737 -3.9539 3 519.1203363 89503 3036052 9 5951 8 a-Alanine, conf. II
558665.2687531.5146 -3.7804 3 1146.0674735 89503 303C2 1C1 C1 1C0 a-Alanine, conf. II
558665.2687531.5146 -3.7804 3 1146.0674735 89503 303C2 2C1 C1 2C0 a-Alanine, conf. II
558685.4798 80.6763 -3.8724 3 1082.7103591 89503 303985147 975146 a-Alanine, conf. II
558685.4798 80.6763 -3.8724 3 1082.7103591 89503 303985148 975147 a-Alanine, conf. II
558822.9262 87.2730 -3.7277 3 1026.7419585 89503 303974553 964552 a-Alanine, conf. II
558823.3345 87.2857 -3.7277 3 1026.7420585 89503 303974552 964551 a-Alanine, conf. II
558824.4281141.6424 -3.7894 3 1124.8626687 89503 303B412A2 B312A1 a-Alanine, conf. II
558824.4281141.6424 -3.7894 3 1124.8626687 89503 303B413A2 B313A1 a-Alanine, conf. II
558857.0367 43.2477 -3.6662 3 1020.5257603 89503 303A03269 993268 a-Alanine, conf. II
558857.0904 43.2480 -3.6662 3 1020.5257603 89503 303A03169 993168 a-Alanine, conf. II
558864.8267 28.0813 -4.1239 3 489.5448411 89503 303682939 672740 a-Alanine, conf. II
558883.6167 78.3382 -4.1364 3 1177.8922597 89503 303996138 986137 a-Alanine, conf. II
558883.6167 78.3382 -4.1364 3 1177.8922597 89503 303996139 986138 a-Alanine, conf. II
558885.7023 6.6151 -4.2779 3 342.5080357 89503 303591742 581543 a-Alanine, conf. II
558886.1304 6.6146 -4.2779 3 342.5080357 89503 303591842 581643 a-Alanine, conf. II
558891.3292 15.1071 -4.1970 3 376.0515369 89503 303612041 601842 a-Alanine, conf. II
558957.7243 14.9991 -4.1969 3 376.0516369 89503 303612141 601942 a-Alanine, conf. II
559050.0922 67.2667 -3.7701 3 1099.1344657 89503 303A91990 A81989 a-Alanine, conf. II
559050.0922 67.2667 -3.7701 3 1099.1344657 89503 303A92090 A82089 a-Alanine, conf. II
559068.3029 18.3929 -3.9033 3 516.8640345 89503 3035756 1 5655 2 a-Alanine, conf. II
559068.3029 18.3929 -3.9033 3 516.8640345 89503 3035756 2 5655 1 a-Alanine, conf. II
559201.8223 8.7246 -4.0400 3 530.8611387 89503 303644717 634618 a-Alanine, conf. II
559201.8223 8.7246 -4.0400 3 530.8611387 89503 303644718 634617 a-Alanine, conf. II
559237.7925241.4763 -3.7947 3 1137.3492705 89503 303B7 8A9 B6 8A8 a-Alanine, conf. II
559237.7925241.4763 -3.7947 3 1137.3492705 89503 303B7 9A9 B6 9A8 a-Alanine, conf. II
559256.7971 8.6208 -4.1548 3 549.8724411 89503 303684226 674127 a-Alanine, conf. II
559256.7971 8.6208 -4.1548 3 549.8724411 89503 303684227 674126 a-Alanine, conf. II
559302.9204 78.7166 -4.1097 3 1169.4835597 89503 303996039 986038 a-Alanine, conf. II
559302.9204 78.7166 -4.1097 3 1169.4835597 89503 303996040 986039 a-Alanine, conf. II
559442.2766 54.9548 -3.7271 3 1062.2674627 89503 303A42678 A32677 a-Alanine, conf. II
559442.2766 54.9548 -3.7271 3 1062.2674627 89503 303A42778 A32777 a-Alanine, conf. II
559503.8135 81.9799 -3.8509 3 1075.9969591 89503 303985048 975047 a-Alanine, conf. II
559503.8135 81.9799 -3.8509 3 1075.9969591 89503 303985049 975048 a-Alanine, conf. II
559567.1287389.7678 -3.7932 3 1146.3104723 89503 303C0 4B6 B9 4B5 a-Alanine, conf. II
559567.1287389.7678 -3.7932 3 1146.3104723 89503 303C0 5B6 B9 5B5 a-Alanine, conf. II
559568.6298 96.7538 -3.7878 3 1117.8247675 89503 303B21597 B11596 a-Alanine, conf. II
559568.6298 96.7538 -3.7878 3 1117.8247675 89503 303B21697 B11696 a-Alanine, conf. II
559677.4320 46.2691 -3.6855 3 1033.1427609 89503 303A13171 A03170 a-Alanine, conf. II
559677.4344 46.2691 -3.6855 3 1033.1427609 89503 303A13071 A03070 a-Alanine, conf. II
559704.3796 98.9997 -3.6304 3 987.4989579 89503 303964156 954155 a-Alanine, conf. II
559748.3405 79.1462 -4.0836 3 1161.2373597 89503 303995940 985939 a-Alanine, conf. II
559748.3405 79.1462 -4.0836 3 1161.2373597 89503 303995941 985940 a-Alanine, conf. II
559783.6918 60.8691 -3.7587 3 1087.3913645 89503 303A72285 A62284 a-Alanine, conf. II
559783.6918 60.8691 -3.7587 3 1087.3913645 89503 303A72385 A62384 a-Alanine, conf. II
559798.8002140.7588 -3.4760 3 916.4416561 89503 303933756 923755 a-Alanine, conf. II
559823.1599593.8934 -3.7848 3 1151.7368741 89503 303C3 0C3 C2 0C2 a-Alanine, conf. II
559823.1599593.8934 -3.7848 3 1151.7368741 89503 303C3 1C3 C2 1C2 a-Alanine, conf. II
559849.5495 12.0097 -3.9726 3 523.1744369 89503 303615110 605011 a-Alanine, conf. II
559849.5495 12.0097 -3.9726 3 523.1744369 89503 303615111 605010 a-Alanine, conf. II
559934.7681 37.8041 -3.5720 3 966.4850579 89503 303963561 953560 a-Alanine, conf. II
560038.2299164.5582 -3.7983 3 1132.9620693 89503 303B511A4 B411A3 a-Alanine, conf. II
560038.2299164.5582 -3.7983 3 1132.9620693 89503 303B512A4 B412A3 a-Alanine, conf. II
560093.5185 29.2279 -4.1150 3 440.8051393 89503 303652640 642441 a-Alanine, conf. II
560103.4576107.7974 -3.6298 3 987.5124579 89503 303964155 954154 a-Alanine, conf. II
560213.7377 9.3140 -4.1869 3 557.1937417 89503 303694128 684029 a-Alanine, conf. II
560213.7377 9.3140 -4.1869 3 557.1937417 89503 303694129 684028 a-Alanine, conf. II
560222.3198 79.6340 -4.0581 3 1153.1550597 89503 303995841 985840 a-Alanine, conf. II
560222.3198 79.6340 -4.0581 3 1153.1550597 89503 303995842 985841 a-Alanine, conf. II
560287.8066 72.7022 -3.7821 3 1108.7920663 89503 303B01892 A91891 a-Alanine, conf. II
560287.8066 72.7022 -3.7821 3 1108.7920663 89503 303B01992 A91991 a-Alanine, conf. II
560311.9659 90.9753 -3.7085 3 1021.2187585 89503 303974454 964453 a-Alanine, conf. II
560315.1544 91.0683 -3.7085 3 1021.2188585 89503 303974453 964452 a-Alanine, conf. II
560317.7147 4.6729 -4.1485 3 400.7840369 89503 303612932 602733 a-Alanine, conf. II
560350.1200 16.9143 -3.9188 3 519.7280351 89503 3035855 3 5754 4 a-Alanine, conf. II
560350.1200 16.9143 -3.9188 3 519.7280351 89503 3035855 4 5754 3 a-Alanine, conf. II
560379.1151 8.3225 -4.0641 3 536.4989393 89503 303654619 644520 a-Alanine, conf. II
560379.1151 8.3225 -4.0641 3 536.4989393 89503 303654620 644519 a-Alanine, conf. II
560398.7457 83.5143 -3.8299 3 1069.4719591 89503 303984950 974949 a-Alanine, conf. II
560398.7458 83.5143 -3.8299 3 1069.4719591 89503 303984949 974948 a-Alanine, conf. II
560428.4767277.0840 -3.8020 3 1144.5707711 89503 303B8 7B1 B7 7B0 a-Alanine, conf. II
560428.4767277.0840 -3.8020 3 1144.5707711 89503 303B8 8B1 B7 8B0 a-Alanine, conf. II
560599.8175 44.1316 -3.4658 3 913.7875561 89503 303933657 923656 a-Alanine, conf. II
560604.4713 57.2789 -3.7427 3 1073.5605633 89503 303A52580 A42579 a-Alanine, conf. II
560604.4713 57.2789 -3.7427 3 1073.5605633 89503 303A52680 A42679 a-Alanine, conf. II
560618.9460 49.3232 -3.7038 3 1045.4771615 89503 303A23073 A13072 a-Alanine, conf. II
560618.9461 49.3232 -3.7038 3 1045.4771615 89503 303A22973 A12972 a-Alanine, conf. II
560716.5514 2.8558 -4.3513 3 323.8045351 89503 303581543 571344 a-Alanine, conf. II
560716.5584 2.8558 -4.3513 3 323.8045351 89503 303581643 571444 a-Alanine, conf. II
560727.6487 80.1881 -4.0331 3 1145.2385597 89503 303995742 985741 a-Alanine, conf. II
560727.6487 80.1881 -4.0331 3 1145.2385597 89503 303995743 985742 a-Alanine, conf. II
560736.7928440.0361 -3.7988 3 1152.6521729 89503 303C1 3B8 C0 3B7 a-Alanine, conf. II
560736.7928440.0361 -3.7988 3 1152.6521729 89503 303C1 4B8 C0 4B7 a-Alanine, conf. II
560738.8264 4.6655 -4.1479 3 400.7694369 89503 303612933 602734 a-Alanine, conf. II
560796.6794111.3089 -3.7981 3 1126.5942681 89503 303B31499 B21498 a-Alanine, conf. II
560796.6794111.3089 -3.7981 3 1126.5942681 89503 303B31599 B21598 a-Alanine, conf. II
561010.8680 63.3122 -3.7722 3 1097.7392651 89503 303A82187 A72186 a-Alanine, conf. II
561010.8680 63.3122 -3.7722 3 1097.7392651 89503 303A82287 A72286 a-Alanine, conf. II
561022.0147169.5385 -3.5212 3 938.1217567 89503 303943856 933855 a-Alanine, conf. II
561066.5205 4.2818 -4.1913 3 369.8755351 89503 303583028 572829 a-Alanine, conf. II
561070.6336 4.2825 -4.1913 3 369.8753351 89503 303583029 572830 a-Alanine, conf. II
561080.2219 10.1780 -4.2215 3 564.9160423 89503 303704030 693931 a-Alanine, conf. II
561080.2219 10.1780 -4.2215 3 564.9160423 89503 303704031 693930 a-Alanine, conf. II
561094.0961 10.9613 -3.9924 3 527.5795375 89503 303625012 614913 a-Alanine, conf. II
561094.0961 10.9613 -3.9924 3 527.5795375 89503 303625013 614912 a-Alanine, conf. II
561245.5116190.7809 -3.8069 3 1140.8519699 89503 303B610A6 B510A5 a-Alanine, conf. II
561245.5116190.7809 -3.8069 3 1140.8519699 89503 303B611A6 B511A5 a-Alanine, conf. II
561267.5371 80.8183 -4.0087 3 1137.4897597 89503 303995643 985642 a-Alanine, conf. II
561267.5371 80.8183 -4.0087 3 1137.4897597 89503 303995644 985643 a-Alanine, conf. II
561383.3689 85.3399 -3.8093 3 1063.1406591 89503 303984851 974850 a-Alanine, conf. II
561383.3701 85.3399 -3.8093 3 1063.1406591 89503 303984850 974849 a-Alanine, conf. II
561483.3745 2.6117 -4.4408 3 305.0754345 89503 303571344 561145 a-Alanine, conf. II
561483.3746 2.6117 -4.4408 3 305.0754345 89503 303571444 561245 a-Alanine, conf. II
561524.0258 80.0986 -3.7938 3 1118.2365669 89503 303B11794 B01793 a-Alanine, conf. II
561524.0258 80.0986 -3.7938 3 1118.2365669 89503 303B11894 B01893 a-Alanine, conf. II
561525.8422 8.1744 -4.0896 3 542.5037399 89503 303664521 654422 a-Alanine, conf. II
561525.8422 8.1744 -4.0896 3 542.5037399 89503 303664522 654421 a-Alanine, conf. II
561612.9163316.5180 -3.8089 3 1151.5825717 89503 303B9 6B3 B8 6B2 a-Alanine, conf. II
561612.9163316.5180 -3.8089 3 1151.5825717 89503 303B9 7B3 B8 7B2 a-Alanine, conf. II
561626.2326 15.5071 -3.9351 3 522.9357357 89503 3035954 5 5853 6 a-Alanine, conf. II
561626.2326 15.5071 -3.9351 3 522.9357357 89503 3035954 6 5853 5 a-Alanine, conf. II
561645.8081 52.2904 -3.7215 3 1057.5451621 89503 303A32875 A22874 a-Alanine, conf. II
561645.8081 52.2904 -3.7215 3 1057.5451621 89503 303A32975 A22974 a-Alanine, conf. II
561646.8149 80.5667 -4.4241 3 1279.2343603 89503 303A07030 997029 a-Alanine, conf. II
561646.8149 80.5667 -4.4241 3 1279.2343603 89503 303A07031 997030 a-Alanine, conf. II
561706.9967 19.2120 -4.1803 3 391.1482375 89503 303622141 611942 a-Alanine, conf. II
561709.8315 6.6510 -4.4079 3 304.3413303 89503 303503416 493217 a-Alanine, conf. II
561709.8315 6.6510 -4.4079 3 304.3413303 89503 303503417 493218 a-Alanine, conf. II
561791.8187 59.4286 -3.7578 3 1084.6212639 89503 303A62482 A52481 a-Alanine, conf. II
561791.8187 59.4286 -3.7578 3 1084.6212639 89503 303A62582 A52581 a-Alanine, conf. II
561828.5435 11.1745 -4.2590 3 573.0514429 89503 303713933 703832 a-Alanine, conf. II
561828.5436 11.1745 -4.2590 3 573.0514429 89503 303713932 703833 a-Alanine, conf. II
561845.7048 81.5366 -3.9848 3 1129.9106597 89503 303995544 985543 a-Alanine, conf. II
561845.7048 81.5366 -3.9848 3 1129.9106597 89503 303995545 985544 a-Alanine, conf. II
561901.7462494.8182 -3.8041 3 1158.7829735 89503 303C2 2C0 C1 2B9 a-Alanine, conf. II
561901.7462494.8182 -3.8041 3 1158.7829735 89503 303C2 3C0 C1 3B9 a-Alanine, conf. II
561913.0281 80.6862 -4.3916 3 1269.4219603 89503 303A06931 996930 a-Alanine, conf. II
561913.0281 80.6862 -4.3916 3 1269.4219603 89503 303A06932 996931 a-Alanine, conf. II
561923.8659158.1916 -3.5663 3 960.3408573 89503 303953956 943955 a-Alanine, conf. II
561938.6475 18.7972 -4.1800 3 391.1485375 89503 303622241 612042 a-Alanine, conf. II
561958.0582 43.1368 -3.5783 3 970.7469579 89503 303963760 953759 a-Alanine, conf. II
561976.8474 37.6369 -3.6285 3 999.3063591 89503 303983564 973563 a-Alanine, conf. II
562019.2245128.8671 -3.8080 3 1135.1535687 89503 303B413A1 B313A0 a-Alanine, conf. II
562019.2245128.8671 -3.8080 3 1135.1535687 89503 303B414A1 B314A0 a-Alanine, conf. II
562038.1888 95.7151 -3.6897 3 1015.9352585 89503 303974355 964354 a-Alanine, conf. II
562058.9651100.2622 -3.6124 3 982.9770579 89503 303964057 954056 a-Alanine, conf. II
562060.6102 96.3203 -3.6896 3 1015.9358585 89503 303974354 964353 a-Alanine, conf. II
562064.9114 40.0022 -3.6518 3 1012.9509597 89503 303993466 983465 a-Alanine, conf. II
562072.4965 40.0225 -3.6518 3 1012.9504597 89503 303993366 983365 a-Alanine, conf. II
562077.5309 37.7592 -3.6284 3 999.2996591 89503 303983464 973463 a-Alanine, conf. II
562192.9434 80.8288 -4.3598 3 1259.7635603 89503 303A06832 996831 a-Alanine, conf. II
562192.9434 80.8288 -4.3598 3 1259.7635603 89503 303A06833 996832 a-Alanine, conf. II
562243.1054 66.4488 -3.7853 3 1107.8688657 89503 303A92089 A82088 a-Alanine, conf. II
562243.1054 66.4488 -3.7853 3 1107.8688657 89503 303A92189 A82188 a-Alanine, conf. II
562259.7367 35.9974 -3.6034 3 985.2361585 89503 303973662 963661 a-Alanine, conf. II
562286.7814 10.7176 -4.1119 3 446.7301393 89503 303652838 642639 a-Alanine, conf. II
562324.3073 10.0545 -4.0133 3 532.3383381 89503 303634914 624815 a-Alanine, conf. II
562324.3073 10.0545 -4.0133 3 532.3383381 89503 303634915 624814 a-Alanine, conf. II
562419.2910 12.2644 -4.3002 3 581.6152435 89503 303723835 713734 a-Alanine, conf. II
562419.2935 12.2644 -4.3002 3 581.6152435 89503 303723834 713735 a-Alanine, conf. II
562446.2441220.4469 -3.8152 3 1148.5324705 89503 303B7 9A8 B6 9A7 a-Alanine, conf. II
562446.2441220.4469 -3.8152 3 1148.5324705 89503 303B710A8 B610A7 a-Alanine, conf. II
562466.5001 82.3577 -3.9615 3 1122.5038597 89503 303995445 985444 a-Alanine, conf. II
562466.5001 82.3577 -3.9615 3 1122.5038597 89503 303995446 985445 a-Alanine, conf. II
562474.6476 87.5415 -3.7892 3 1057.0095591 89503 303984752 974751 a-Alanine, conf. II
562474.6601 87.5419 -3.7892 3 1057.0095591 89503 303984751 974750 a-Alanine, conf. II
562487.5150 80.9963 -4.3288 3 1250.2598603 89503 303A06733 996732 a-Alanine, conf. II
562487.5150 80.9963 -4.3288 3 1250.2598603 89503 303A06734 996733 a-Alanine, conf. II
562514.0579 42.7138 -3.6734 3 1026.2235603 89503 303A03368 993367 a-Alanine, conf. II
562514.5228 42.7159 -3.6734 3 1026.2235603 89503 303A03268 993267 a-Alanine, conf. II
562634.5144 8.2939 -4.1166 3 548.8809405 89503 303674423 664324 a-Alanine, conf. II
562634.5144 8.2939 -4.1166 3 548.8809405 89503 303674424 664323 a-Alanine, conf. II
562655.8120 25.5225 -4.1376 3 476.0454405 89503 303672938 662739 a-Alanine, conf. II
562658.7832 43.4586 -4.1475 3 437.5414393 89503 303652441 642242 a-Alanine, conf. II
562716.3557 5.6345 -4.3403 3 319.1447315 89503 303523319 513120 a-Alanine, conf. II
562716.3557 5.6345 -4.3403 3 319.1447315 89503 303523320 513121 a-Alanine, conf. II
562734.0138 55.0846 -3.7384 3 1069.3591627 89503 303A42777 A32776 a-Alanine, conf. II
562734.0138 55.0846 -3.7384 3 1069.3591627 89503 303A42877 A32876 a-Alanine, conf. II
562749.8840 4.3867 -4.2341 3 351.8644339 89503 303563125 552926 a-Alanine, conf. II
562749.9359 4.3867 -4.2341 3 351.8644339 89503 303563126 552927 a-Alanine, conf. II
562757.3121 89.8626 -3.8050 3 1127.4689675 89503 303B21696 B11695 a-Alanine, conf. II
562757.3121 89.8626 -3.8050 3 1127.4689675 89503 303B21796 B11795 a-Alanine, conf. II
562791.4712359.9629 -3.8155 3 1158.3842723 89503 303C0 5B5 B9 5B4 a-Alanine, conf. II
562791.4712359.9629 -3.8155 3 1158.3842723 89503 303C0 6B5 B9 6B4 a-Alanine, conf. II
562793.8133 13.3998 -4.3459 3 590.6273441 89503 303733737 723636 a-Alanine, conf. II
562793.8931 13.4004 -4.3459 3 590.6273441 89503 303733736 723637 a-Alanine, conf. II
562797.7925 81.1910 -4.2985 3 1240.9115603 89503 303A06634 996633 a-Alanine, conf. II
562797.7925 81.1910 -4.2985 3 1240.9115603 89503 303A06635 996634 a-Alanine, conf. II
562858.4447 14.4977 -4.3976 3 600.1145447 89503 303743639 733538 a-Alanine, conf. II
562860.4721 14.5109 -4.3976 3 600.1144447 89503 303743638 733539 a-Alanine, conf. II
562895.3727 14.1796 -3.9524 3 526.4888363 89503 3036053 7 5952 8 a-Alanine, conf. II
562895.3727 14.1796 -3.9524 3 526.4888363 89503 3036053 8 5952 7 a-Alanine, conf. II
562996.9855 61.5125 -3.7724 3 1095.4543645 89503 303A72384 A62383 a-Alanine, conf. II
562996.9855 61.5125 -3.7724 3 1095.4543645 89503 303A72484 A62483 a-Alanine, conf. II
563062.6296554.3373 -3.8090 3 1164.7025741 89503 303C3 1C2 C2 1C1 a-Alanine, conf. II
563062.6296554.3373 -3.8090 3 1164.7025741 89503 303C3 2C2 C2 2C1 a-Alanine, conf. II
563120.0290 5.1298 -4.1449 3 412.6954375 89503 303622933 612734 a-Alanine, conf. II
563124.9341 81.4155 -4.2689 3 1231.7196603 89503 303A06535 996534 a-Alanine, conf. II
563124.9341 81.4155 -4.2689 3 1231.7196603 89503 303A06536 996535 a-Alanine, conf. II
563135.0554 83.3001 -3.9387 3 1115.2719597 89503 303995346 985345 a-Alanine, conf. II
563135.0554 83.3001 -3.9387 3 1115.2719597 89503 303995347 985346 a-Alanine, conf. II
563149.5101 4.8489 -4.2832 3 334.9729327 89503 303543222 533023 a-Alanine, conf. II
563149.5105 4.8489 -4.2832 3 334.9729327 89503 303543223 533024 a-Alanine, conf. II
563152.1698 9.1007 -4.2532 3 357.2668363 89503 303601842 591643 a-Alanine, conf. II
563154.0655 9.0982 -4.2532 3 357.2668363 89503 303601942 591743 a-Alanine, conf. II
563204.1576 45.7069 -3.6937 3 1039.1672609 89503 303A13270 A03269 a-Alanine, conf. II
563204.1816 45.7070 -3.6937 3 1039.1672609 89503 303A13170 A03169 a-Alanine, conf. II
563235.8142149.5682 -3.8175 3 1143.5030693 89503 303B512A3 B412A2 a-Alanine, conf. II
563235.8142149.5682 -3.8175 3 1143.5030693 89503 303B513A3 B413A2 a-Alanine, conf. II
563281.0648 37.3245 -3.6015 3 985.1624585 89503 303973562 963561 a-Alanine, conf. II
563361.0758 19.6423 -3.9038 3 524.8328345 89503 3035757 0 5656 1 a-Alanine, conf. II
563361.0758 19.6423 -3.9038 3 524.8328345 89503 3035757 1 5656 0 a-Alanine, conf. II
563470.2226 81.6728 -4.2400 3 1222.6848603 89503 303A06436 996435 a-Alanine, conf. II
563470.2226 81.6728 -4.2400 3 1222.6848603 89503 303A06437 996436 a-Alanine, conf. II
563477.5757 70.7132 -3.7979 3 1117.7823663 89503 303B01991 A91990 a-Alanine, conf. II
563477.5757 70.7132 -3.7979 3 1117.7823663 89503 303B02091 A92090 a-Alanine, conf. II
563536.8956 9.3216 -4.0354 3 537.4538387 89503 303644816 634717 a-Alanine, conf. II
563536.8956 9.3216 -4.0354 3 537.4538387 89503 303644817 634716 a-Alanine, conf. II
563640.5200253.7051 -3.8230 3 1156.0034711 89503 303B8 8B0 B7 8A9 a-Alanine, conf. II
563640.5200253.7051 -3.8230 3 1156.0034711 89503 303B8 9B0 B7 9A9 a-Alanine, conf. II
563695.2021 90.2425 -3.7695 3 1051.0868591 89503 303984653 974652 a-Alanine, conf. II
563695.3148 90.2463 -3.7695 3 1051.0868591 89503 303984652 974651 a-Alanine, conf. II
563695.5443 8.6723 -4.1454 3 555.6366411 89503 303684325 674226 a-Alanine, conf. II
563695.5443 8.6723 -4.1454 3 555.6366411 89503 303684326 674225 a-Alanine, conf. II
563701.2199 24.5202 -4.1664 3 406.4346381 89503 303632241 622042 a-Alanine, conf. II
563835.0835 81.9662 -4.2117 3 1213.8083603 89503 303A06337 996336 a-Alanine, conf. II
563835.0835 81.9662 -4.2117 3 1213.8083603 89503 303A06338 996337 a-Alanine, conf. II
563857.4965 84.3871 -3.9164 3 1108.2181597 89503 303995247 985246 a-Alanine, conf. II
563857.4965 84.3871 -3.9164 3 1108.2181597 89503 303995248 985247 a-Alanine, conf. II
563866.7433 57.6597 -3.7547 3 1080.9284633 89503 303A52679 A42678 a-Alanine, conf. II
563866.7433 57.6597 -3.7547 3 1080.9284633 89503 303A52779 A42778 a-Alanine, conf. II
563906.4030 89.5880 -3.5963 3 978.7448579 89503 303963958 953957 a-Alanine, conf. II
563964.5864407.6148 -3.8217 3 1164.9755729 89503 303C1 4B7 C0 4B6 a-Alanine, conf. II
563964.5864407.6148 -3.8217 3 1164.9755729 89503 303C1 5B7 C0 5B6 a-Alanine, conf. II
563976.8041136.8872 -3.6094 3 983.0515579 89503 303964056 954055 a-Alanine, conf. II
563986.5612102.3134 -3.8158 3 1136.4899681 89503 303B31598 B21597 a-Alanine, conf. II
563986.5612102.3134 -3.8158 3 1136.4899681 89503 303B31698 B21697 a-Alanine, conf. II
564008.0701 4.9264 -4.1437 3 412.6644375 89503 303622934 612735 a-Alanine, conf. II
564017.4923 30.4459 -3.4973 3 932.4871567 89503 303943658 933657 a-Alanine, conf. II
564054.5060 48.8438 -3.7131 3 1051.8116615 89503 303A23172 A13171 a-Alanine, conf. II
564054.5071 48.8438 -3.7131 3 1051.8116615 89503 303A23072 A13071 a-Alanine, conf. II
564060.3344101.4110 -3.6710 3 1010.9107585 89503 303974256 964255 a-Alanine, conf. II
564090.3449 65.5597 -3.5845 3 974.7251579 89503 303963859 953858 a-Alanine, conf. II
564155.9867 12.9437 -3.9706 3 530.3894369 89503 3036152 9 605110 a-Alanine, conf. II
564155.9867 12.9437 -3.9706 3 530.3894369 89503 303615210 6051 9 a-Alanine, conf. II
564200.2126104.8699 -3.6708 3 1010.9152585 89503 303974255 964254 a-Alanine, conf. II
564214.3568 63.7187 -3.7865 3 1106.0637651 89503 303A82286 A72285 a-Alanine, conf. II
564214.3568 63.7187 -3.7865 3 1106.0637651 89503 303A82386 A72385 a-Alanine, conf. II
564220.1511618.8258 -3.8135 3 1170.4105747 89503 303C4 0C4 C3 0C3 a-Alanine, conf. II
564220.1511618.8258 -3.8135 3 1170.4105747 89503 303C4 1C4 C3 1C3 a-Alanine, conf. II
564221.1071 82.2999 -4.1840 3 1205.0912603 89503 303A06238 996237 a-Alanine, conf. II
564221.1071 82.2999 -4.1840 3 1205.0912603 89503 303A06239 996238 a-Alanine, conf. II
564346.2730 32.0468 -4.1553 3 421.9027387 89503 303642341 632142 a-Alanine, conf. II
564446.1723173.5395 -3.8266 3 1151.6428699 89503 303B611A5 B511A4 a-Alanine, conf. II
564446.1723173.5395 -3.8266 3 1151.6428699 89503 303B612A5 B512A4 a-Alanine, conf. II
564450.0171 23.0762 -4.1654 3 406.4356381 89503 303632341 622142 a-Alanine, conf. II
564630.0750 82.6784 -4.1570 3 1196.5346603 89503 303A06139 996138 a-Alanine, conf. II
564630.0750 82.6784 -4.1570 3 1196.5346603 89503 303A06140 996139 a-Alanine, conf. II
564641.2292 85.6485 -3.8946 3 1101.3461597 89503 303995148 985147 a-Alanine, conf. II
564641.2292 85.6485 -3.8946 3 1101.3461597 89503 303995149 985148 a-Alanine, conf. II
564644.6735 18.1021 -3.9188 3 527.5469351 89503 3035856 2 5755 3 a-Alanine, conf. II
564644.6735 18.1021 -3.9188 3 527.5469351 89503 3035856 3 5755 2 a-Alanine, conf. II
564696.4897 9.2825 -4.1762 3 562.7778417 89503 303694227 684128 a-Alanine, conf. II
564696.4897 9.2825 -4.1762 3 562.7778417 89503 303694228 684127 a-Alanine, conf. II
564712.0594 76.5835 -3.8101 3 1127.4812669 89503 303B11893 B01892 a-Alanine, conf. II
564712.0594 76.5835 -3.8101 3 1127.4812669 89503 303B11993 B01992 a-Alanine, conf. II
564727.7837 8.7994 -4.0587 3 542.9296393 89503 303654718 644619 a-Alanine, conf. II
564727.7837 8.7994 -4.0587 3 542.9296393 89503 303654719 644618 a-Alanine, conf. II
564828.5402290.7183 -3.8305 3 1163.2646717 89503 303B9 7B2 B8 7B1 a-Alanine, conf. II
564828.5402290.7183 -3.8305 3 1163.2646717 89503 303B9 8B2 B8 8B1 a-Alanine, conf. II
565015.4458 51.9836 -3.7315 3 1064.1773621 89503 303A32974 A22973 a-Alanine, conf. II
565015.4458 51.9836 -3.7315 3 1064.1773621 89503 303A33074 A23073 a-Alanine, conf. II
565031.8171 60.0155 -3.7705 3 1092.2602639 89503 303A62581 A52580 a-Alanine, conf. II
565031.8171 60.0155 -3.7705 3 1092.2602639 89503 303A62681 A52680 a-Alanine, conf. II
565063.9932 83.1072 -4.1305 3 1188.1398603 89503 303A06040 996039 a-Alanine, conf. II
565063.9932 83.1072 -4.1305 3 1188.1398603 89503 303A06041 996040 a-Alanine, conf. II
565076.1569 93.6255 -3.7501 3 1045.3823591 89503 303984554 974553 a-Alanine, conf. II
565077.0854 93.6553 -3.7501 3 1045.3823591 89503 303984553 974552 a-Alanine, conf. II
565132.7857459.6810 -3.8275 3 1171.3562735 89503 303C2 3B9 C1 3B8 a-Alanine, conf. II
565132.7857459.6810 -3.8275 3 1171.3562735 89503 303C2 4B9 C1 4B8 a-Alanine, conf. II
565179.1444 4.4451 -4.1843 3 381.0750357 89503 303593029 582830 a-Alanine, conf. II
565189.4360 4.4475 -4.1843 3 381.0746357 89503 303593030 582831 a-Alanine, conf. II
565210.9447117.6853 -3.8263 3 1145.3003687 89503 303B414A0 B31499 a-Alanine, conf. II
565210.9447117.6853 -3.8263 3 1145.3003687 89503 303B415A0 B31599 a-Alanine, conf. II
565333.4276 6.1881 -4.1425 3 424.8419381 89503 303632934 622735 a-Alanine, conf. II
565406.1719 11.8161 -3.9898 3 534.6395375 89503 303625111 615012 a-Alanine, conf. II
565406.1719 11.8161 -3.9898 3 534.6395375 89503 303625112 615011 a-Alanine, conf. II
565439.5832 66.3276 -3.8002 3 1116.4525657 89503 303A92188 A82187 a-Alanine, conf. II
565439.5832 66.3276 -3.8002 3 1116.4525657 89503 303A92288 A82287 a-Alanine, conf. II
565495.3424 87.1236 -3.8733 3 1094.6600597 89503 303995049 985048 a-Alanine, conf. II
565495.3424 87.1236 -3.8733 3 1094.6600597 89503 303995050 985049 a-Alanine, conf. II
565496.0175 60.7239 -4.0843 3 545.5708435 89503 303722943 712744 a-Alanine, conf. II
565525.1311 83.5929 -4.1047 3 1179.9084603 89503 303A05941 995940 a-Alanine, conf. II
565525.1311 83.5929 -4.1047 3 1179.9084603 89503 303A05942 995941 a-Alanine, conf. II
565526.2625 19.2566 -4.1419 3 462.8245399 89503 303662937 652738 a-Alanine, conf. II
565540.6880 26.7486 -4.1138 3 456.5199399 89503 303662740 652541 a-Alanine, conf. II
565562.0661 4.5130 -4.3198 3 338.4016357 89503 303591643 581444 a-Alanine, conf. II
565562.1023 4.5130 -4.3198 3 338.4016357 89503 303591743 581544 a-Alanine, conf. II
565620.9258 10.0874 -4.2091 3 570.3135423 89503 303704129 694030 a-Alanine, conf. II
565620.9258 10.0874 -4.2091 3 570.3135423 89503 303704130 694029 a-Alanine, conf. II
565650.1742200.9105 -3.8354 3 1159.5731705 89503 303B710A7 B610A6 a-Alanine, conf. II
565650.1742200.9105 -3.8354 3 1159.5731705 89503 303B711A7 B611A6 a-Alanine, conf. II
565891.8857 8.5228 -4.0833 3 548.7697399 89503 303664620 654521 a-Alanine, conf. II
565891.8857 8.5228 -4.0833 3 548.7697399 89503 303664621 654520 a-Alanine, conf. II
565923.0922 16.6317 -3.9347 3 530.6039357 89503 3035955 4 5854 5 a-Alanine, conf. II
565923.0922 16.6317 -3.9347 3 530.6039357 89503 3035955 5 5854 4 a-Alanine, conf. II
565944.8199 84.5257 -3.8219 3 1136.9669675 89503 303B21795 B11794 a-Alanine, conf. II
565944.8199 84.5257 -3.8219 3 1136.9669675 89503 303B21895 B11894 a-Alanine, conf. II
566010.6046331.6621 -3.8376 3 1170.3159723 89503 303C0 6B4 B9 6B3 a-Alanine, conf. II
566010.6046331.6621 -3.8376 3 1170.3159723 89503 303C0 7B4 B9 7B3 a-Alanine, conf. II
566016.0713 84.1431 -4.0794 3 1171.8420603 89503 303A05842 995841 a-Alanine, conf. II
566016.0713 84.1431 -4.0794 3 1171.8420603 89503 303A05843 995842 a-Alanine, conf. II
566054.9043 55.0116 -3.7492 3 1076.2796627 89503 303A42876 A32875 a-Alanine, conf. II
566054.9043 55.0116 -3.7492 3 1076.2796627 89503 303A42976 A32975 a-Alanine, conf. II
566120.8917 39.7327 -3.6568 3 1018.0518597 89503 303993565 983564 a-Alanine, conf. II
566172.0537 39.8130 -3.6567 3 1018.0485597 89503 303993465 983464 a-Alanine, conf. II
566220.1898 62.2077 -3.7857 3 1103.3605645 89503 303A72483 A62482 a-Alanine, conf. II
566220.1898 62.2077 -3.7857 3 1103.3605645 89503 303A72583 A62582 a-Alanine, conf. II
566296.6666516.3786 -3.8329 3 1177.5259741 89503 303C3 2C1 C2 2C0 a-Alanine, conf. II
566296.6666516.3786 -3.8329 3 1177.5259741 89503 303C3 3C1 C2 3C0 a-Alanine, conf. II
566308.8532 42.2612 -3.6798 3 1031.6994603 89503 303A03467 993466 a-Alanine, conf. II
566312.4960 42.2730 -3.6798 3 1031.6992603 89503 303A03367 993366 a-Alanine, conf. II
566343.4785 37.6703 -3.6318 3 1003.9911591 89503 303983663 973662 a-Alanine, conf. II
566371.7007106.1607 -3.6526 3 1006.1686585 89503 303974157 964156 a-Alanine, conf. II
566405.2396 43.3902 -3.5310 3 951.3007573 89503 303953659 943658 a-Alanine, conf. II
566423.4851 40.5436 -3.6059 3 989.4918585 89503 303973761 963760 a-Alanine, conf. II
566429.8652136.1508 -3.8363 3 1153.9004693 89503 303B513A2 B413A1 a-Alanine, conf. II
566429.8652136.1508 -3.8363 3 1153.9004693 89503 303B514A2 B414A1 a-Alanine, conf. II
566431.1900 88.8650 -3.8524 3 1088.1648597 89503 303994951 984950 a-Alanine, conf. II
566431.1903 88.8650 -3.8524 3 1088.1648597 89503 303994950 984949 a-Alanine, conf. II
566446.6975 11.0484 -4.2447 3 578.2540429 89503 303714031 703932 a-Alanine, conf. II
566446.6975 11.0484 -4.2447 3 578.2540429 89503 303714032 703931 a-Alanine, conf. II
566539.7718 84.7671 -4.0547 3 1163.9424603 89503 303A05743 995742 a-Alanine, conf. II
566539.7718 84.7671 -4.0547 3 1163.9424603 89503 303A05744 995743 a-Alanine, conf. II
566566.5759 27.5653 -4.1526 3 421.9065387 89503 303642441 632242 a-Alanine, conf. II
566643.5936 10.8199 -4.0101 3 539.2417381 89503 303635013 624914 a-Alanine, conf. II
566643.5936 10.8199 -4.0101 3 539.2417381 89503 303635014 624913 a-Alanine, conf. II
566661.1634 97.9454 -3.7311 3 1039.9087591 89503 303984455 974454 a-Alanine, conf. II
566668.1069 98.1522 -3.7311 3 1039.9089591 89503 303984454 974453 a-Alanine, conf. II
566669.2679 69.7135 -3.8134 3 1126.6232663 89503 303B02090 A92089 a-Alanine, conf. II
566669.2679 69.7135 -3.8134 3 1126.6232663 89503 303B02190 A92189 a-Alanine, conf. II
566696.0659 8.5831 -4.1416 3 437.2352387 89503 303642935 632736 a-Alanine, conf. II
566753.3395 2.1669 -4.4002 3 319.4968351 89503 303581444 571245 a-Alanine, conf. II
566753.3399 2.1669 -4.4002 3 319.4968351 89503 303581544 571345 a-Alanine, conf. II
566824.6478 45.1386 -3.7014 3 1044.9869609 89503 303A13369 A03368 a-Alanine, conf. II
566824.8611 45.1397 -3.7014 3 1044.9869609 89503 303A13269 A03268 a-Alanine, conf. II
566847.8284231.8205 -3.8438 3 1167.2936711 89503 303B8 9A9 B7 9A8 a-Alanine, conf. II
566847.8284231.8205 -3.8438 3 1167.2936711 89503 303B810A9 B710A8 a-Alanine, conf. II
566865.8212 12.9940 -4.1419 3 449.8907393 89503 303652936 642737 a-Alanine, conf. II
566872.4133 6.4979 -4.3880 3 313.8292309 89503 303513417 503218 a-Alanine, conf. II
566872.4133 6.4979 -4.3880 3 313.8292309 89503 303513418 503219 a-Alanine, conf. II
566905.9033 38.2694 -3.6308 3 1003.9514591 89503 303983563 973562 a-Alanine, conf. II
567022.8095 8.5144 -4.1094 3 554.9788405 89503 303674522 664423 a-Alanine, conf. II
567022.8095 8.5144 -4.1094 3 554.9788405 89503 303674523 664422 a-Alanine, conf. II
567099.6437 85.4761 -4.0305 3 1156.2115603 89503 303A05644 995643 a-Alanine, conf. II
567099.6437 85.4761 -4.0305 3 1156.2115603 89503 303A05645 995644 a-Alanine, conf. II
567100.6728 12.0303 -4.2317 3 372.2318369 89503 303611942 601743 a-Alanine, conf. II
567108.5290 12.0180 -4.2317 3 372.2318369 89503 303612042 601843 a-Alanine, conf. II
567125.3824122.8548 -3.6514 3 1006.1954585 89503 303974156 964155 a-Alanine, conf. II
567134.5301 5.2333 -4.1402 3 424.7786381 89503 303632935 622736 a-Alanine, conf. II
567143.0833 12.1276 -4.2834 3 586.6125435 89503 303723934 713833 a-Alanine, conf. II
567143.0835 12.1276 -4.2834 3 586.6125435 89503 303723933 713834 a-Alanine, conf. II
567151.0702 57.8484 -3.7663 3 1088.1299633 89503 303A52778 A42777 a-Alanine, conf. II
567151.0702 57.8484 -3.7663 3 1088.1299633 89503 303A52878 A42877 a-Alanine, conf. II
567174.5095 94.9421 -3.8333 3 1146.2404681 89503 303B31697 B21696 a-Alanine, conf. II
567174.5095 94.9421 -3.8333 3 1146.2404681 89503 303B31797 B21796 a-Alanine, conf. II
567187.1035376.7249 -3.8443 3 1177.1569729 89503 303C1 5B6 C0 5B5 a-Alanine, conf. II
567187.1035376.7249 -3.8443 3 1177.1569729 89503 303C1 6B6 C0 6B5 a-Alanine, conf. II
567195.2089 15.2381 -3.9515 3 534.0053363 89503 3036054 6 5953 7 a-Alanine, conf. II
567195.2089 15.2381 -3.9515 3 534.0053363 89503 3036054 7 5953 6 a-Alanine, conf. II
567284.1397113.6464 -3.4958 3 935.1145567 89503 303943757 933756 a-Alanine, conf. II
567296.8446 84.7945 -4.4422 3 1297.9688609 89503 303A17031 A07030 a-Alanine, conf. II
567296.8446 84.7945 -4.4422 3 1297.9688609 89503 303A17032 A07031 a-Alanine, conf. II
567299.5575 4.4573 -4.2248 3 362.6139345 89503 303573126 562927 a-Alanine, conf. II
567299.7048 4.4573 -4.2248 3 362.6139345 89503 303573127 562928 a-Alanine, conf. II
567425.0120 64.3609 -3.8004 3 1114.2339651 89503 303A82385 A72384 a-Alanine, conf. II
567425.0120 64.3609 -3.8004 3 1114.2339651 89503 303A82485 A72484 a-Alanine, conf. II
567456.8974577.9348 -3.8380 3 1183.4842747 89503 303C4 1C3 C3 1C2 a-Alanine, conf. II
567456.8974577.9348 -3.8380 3 1183.4842747 89503 303C4 2C3 C3 2C2 a-Alanine, conf. II
567463.2605 90.9450 -3.8320 3 1081.8663597 89503 303994852 984851 a-Alanine, conf. II
567463.2637 90.9452 -3.8320 3 1081.8663597 89503 303994851 984850 a-Alanine, conf. II
567497.3021 15.4067 -4.1150 3 459.4878399 89503 303662839 652640 a-Alanine, conf. II
567556.5039 48.2742 -3.7217 3 1057.9537615 89503 303A23271 A13270 a-Alanine, conf. II
567556.5144 48.2743 -3.7217 3 1057.9537615 89503 303A23171 A13170 a-Alanine, conf. II
567557.9117 74.3373 -4.1496 3 482.2886411 89503 303682642 672443 a-Alanine, conf. II
567571.7159 84.9397 -4.4101 3 1288.1653609 89503 303A16932 A06931 a-Alanine, conf. II
567571.7159 84.9397 -4.4101 3 1288.1653609 89503 303A16933 A06932 a-Alanine, conf. II
567642.9218157.8496 -3.8460 3 1162.2905699 89503 303B612A4 B512A3 a-Alanine, conf. II
567642.9218157.8496 -3.8460 3 1162.2905699 89503 303B613A4 B513A3 a-Alanine, conf. II
567665.9126 13.2845 -4.3259 3 595.4056441 89503 303733836 723735 a-Alanine, conf. II
567665.9197 13.2846 -4.3259 3 595.4056441 89503 303733835 723736 a-Alanine, conf. II
567699.6527 86.2839 -4.0068 3 1148.6518603 89503 303A05545 995544 a-Alanine, conf. II
567699.6527 86.2839 -4.0068 3 1148.6518603 89503 303A05546 995545 a-Alanine, conf. II
567738.5414 5.5243 -4.3247 3 329.0431321 89503 303533320 523121 a-Alanine, conf. II
567738.5414 5.5243 -4.3247 3 329.0431321 89503 303533321 523122 a-Alanine, conf. II
567860.7705 85.1097 -4.3788 3 1278.5163609 89503 303A16833 A06832 a-Alanine, conf. II
567860.7705 85.1097 -4.3788 3 1278.5163609 89503 303A16834 A06833 a-Alanine, conf. II
567865.3809 9.9849 -4.0315 3 544.1988387 89503 303644915 634816 a-Alanine, conf. II
567865.3809 9.9849 -4.0315 3 544.1988387 89503 303644916 634815 a-Alanine, conf. II
567880.6107 15.5538 -4.4274 3 614.3897453 89503 303753640 743539 a-Alanine, conf. II
567885.5507 15.5870 -4.4274 3 614.3896453 89503 303753639 743540 a-Alanine, conf. II
567900.7472 74.3283 -3.8261 3 1136.5779669 89503 303B11992 B01991 a-Alanine, conf. II
567900.7472 74.3283 -3.8261 3 1136.5779669 89503 303B12092 B02091 a-Alanine, conf. II
567948.4202 14.4640 -4.3733 3 604.6548447 89503 303743738 733637 a-Alanine, conf. II
567948.6293 14.4655 -4.3733 3 604.6548447 89503 303743737 733638 a-Alanine, conf. II
567978.1900 4.8148 -4.2711 3 345.2907333 89503 303553223 543024 a-Alanine, conf. II
567978.1912 4.8148 -4.2711 3 345.2907333 89503 303553224 543025 a-Alanine, conf. II
568039.2622266.4220 -3.8518 3 1174.8044717 89503 303B9 8B1 B8 8B0 a-Alanine, conf. II
568039.2622266.4220 -3.8518 3 1174.8044717 89503 303B9 9B1 B8 9B0 a-Alanine, conf. II
568112.4460 8.7766 -4.1371 3 561.5625411 89503 303684424 674325 a-Alanine, conf. II
568112.4460 8.7766 -4.1371 3 561.5625411 89503 303684425 674324 a-Alanine, conf. II
568165.0037 85.3069 -4.3481 3 1269.0224609 89503 303A16734 A06733 a-Alanine, conf. II
568165.0037 85.3069 -4.3481 3 1269.0224609 89503 303A16735 A06734 a-Alanine, conf. II
568259.5538 91.3599 -4.1214 3 528.8267429 89503 303712843 702644 a-Alanine, conf. II
568288.5040 60.4561 -3.7827 3 1099.7369639 89503 303A62680 A52679 a-Alanine, conf. II
568288.5040 60.4561 -3.7827 3 1099.7369639 89503 303A62780 A52779 a-Alanine, conf. II
568344.4510 87.2074 -3.9837 3 1141.2656603 89503 303A05446 995445 a-Alanine, conf. II
568344.4510 87.2074 -3.9837 3 1141.2656603 89503 303A05447 995446 a-Alanine, conf. II
568358.5107426.1066 -3.8506 3 1183.7874735 89503 303C2 4B8 C1 4B7 a-Alanine, conf. II
568358.5107426.1066 -3.8506 3 1183.7874735 89503 303C2 5B8 C1 5B7 a-Alanine, conf. II
568400.0992108.1454 -3.8443 3 1155.3025687 89503 303B41599 B31598 a-Alanine, conf. II
568400.0992108.1454 -3.8443 3 1155.3025687 89503 303B41699 B31698 a-Alanine, conf. II
568428.3180 50.8953 -3.5649 3 970.1939579 89503 303963660 953659 a-Alanine, conf. II
568433.6161 51.5220 -3.7411 3 1070.6264621 89503 303A33173 A23172 a-Alanine, conf. II
568433.6165 51.5220 -3.7411 3 1070.6264621 89503 303A33073 A23072 a-Alanine, conf. II
568459.6507 13.9318 -3.9692 3 537.7530369 89503 3036153 8 6052 9 a-Alanine, conf. II
568459.6507 13.9318 -3.9692 3 537.7530369 89503 3036153 9 6052 8 a-Alanine, conf. II
568485.5119 85.5337 -4.3182 3 1259.6844609 89503 303A16635 A06634 a-Alanine, conf. II
568485.5119 85.5337 -4.3182 3 1259.6844609 89503 303A16636 A06635 a-Alanine, conf. II
568508.0302103.4173 -3.7123 3 1034.6828591 89503 303984356 974355 a-Alanine, conf. II
568554.5863104.6970 -3.7122 3 1034.6842591 89503 303984355 974354 a-Alanine, conf. II
568576.5975 31.5535 -4.1417 3 437.5543393 89503 303652541 642342 a-Alanine, conf. II
568610.5229 93.4671 -3.8120 3 1075.7717597 89503 303994753 984752 a-Alanine, conf. II
568610.5531 93.4682 -3.8120 3 1075.7717597 89503 303994752 984751 a-Alanine, conf. II
568614.2130644.5866 -3.8426 3 1189.2309753 89503 303C5 0C5 C4 0C4 a-Alanine, conf. II
568614.2130644.5866 -3.8426 3 1189.2309753 89503 303C5 1C5 C4 1C4 a-Alanine, conf. II
568641.0202 66.6823 -3.8147 3 1124.8839657 89503 303A92287 A82286 a-Alanine, conf. II
568641.0202 66.6823 -3.8147 3 1124.8839657 89503 303A92387 A82386 a-Alanine, conf. II
568662.4594103.6578 -3.6351 3 1001.7252585 89503 303974058 964057 a-Alanine, conf. II
568823.5064 85.7930 -4.2889 3 1250.5034609 89503 303A16536 A06535 a-Alanine, conf. II
568823.5064 85.7930 -4.2889 3 1250.5034609 89503 303A16537 A06536 a-Alanine, conf. II
568849.8829182.9104 -3.8553 3 1170.4707705 89503 303B711A6 B611A5 a-Alanine, conf. II
568849.8829182.9104 -3.8553 3 1170.4707705 89503 303B712A6 B612A5 a-Alanine, conf. II
568937.9166 19.3422 -3.9194 3 535.5125351 89503 3035857 1 5756 2 a-Alanine, conf. II
568937.9166 19.3422 -3.9194 3 535.5125351 89503 3035857 2 5756 1 a-Alanine, conf. II
569039.5514 88.2679 -3.9611 3 1134.0561603 89503 303A05347 995346 a-Alanine, conf. II
569039.5514 88.2679 -3.9611 3 1134.0561603 89503 303A05348 995347 a-Alanine, conf. II
569067.9896 9.3469 -4.0540 3 549.5140393 89503 303654817 644718 a-Alanine, conf. II
569067.9896 9.3469 -4.0540 3 549.5140393 89503 303654818 644717 a-Alanine, conf. II
569131.9317 80.6601 -3.8385 3 1146.3180675 89503 303B21894 B11893 a-Alanine, conf. II
569131.9317 80.6601 -3.8385 3 1146.3180675 89503 303B21994 B11993 a-Alanine, conf. II
569140.5633 4.6307 -4.1783 3 392.4863363 89503 303603030 592831 a-Alanine, conf. II
569150.3864 9.2904 -4.1666 3 568.5272417 89503 303694326 684227 a-Alanine, conf. II
569150.3864 9.2904 -4.1666 3 568.5272417 89503 303694327 684226 a-Alanine, conf. II
569165.5264 4.6378 -4.1783 3 392.4855363 89503 303603031 592832 a-Alanine, conf. II
569180.3301 86.0882 -4.2603 3 1241.4802609 89503 303A16437 A06436 a-Alanine, conf. II
569180.3301 86.0882 -4.2603 3 1241.4802609 89503 303A16438 A06437 a-Alanine, conf. II
569224.7097304.8811 -3.8594 3 1182.1053723 89503 303C0 7B3 B9 7B2 a-Alanine, conf. II
569224.7097304.8811 -3.8594 3 1182.1053723 89503 303C0 8B3 B9 8B2 a-Alanine, conf. II
569335.9760 58.8758 -3.6106 3 993.5412585 89503 303973860 963859 a-Alanine, conf. II
569411.9667 54.7433 -3.7596 3 1083.0242627 89503 303A43075 A33074 a-Alanine, conf. II
569411.9668 54.7433 -3.7596 3 1083.0242627 89503 303A42975 A32974 a-Alanine, conf. II
569455.9380 62.8453 -3.7986 3 1111.1077645 89503 303A72582 A62581 a-Alanine, conf. II
569455.9380 62.8453 -3.7986 3 1111.1077645 89503 303A72682 A62681 a-Alanine, conf. II
569525.3781480.0183 -3.8566 3 1190.2070741 89503 303C3 3C0 C2 3B9 a-Alanine, conf. II
569525.3781480.0183 -3.8566 3 1190.2070741 89503 303C3 4C0 C2 4B9 a-Alanine, conf. II
569557.4773 86.4230 -4.2323 3 1232.6158609 89503 303A16338 A06337 a-Alanine, conf. II
569557.4773 86.4230 -4.2323 3 1232.6158609 89503 303A16339 A06338 a-Alanine, conf. II
569620.8246124.3643 -3.8549 3 1164.1537693 89503 303B514A1 B414A0 a-Alanine, conf. II
569620.8246124.3643 -3.8549 3 1164.1537693 89503 303B515A1 B415A0 a-Alanine, conf. II
569714.7394 12.7275 -3.9878 3 541.8490375 89503 303625210 615111 a-Alanine, conf. II
569714.7394 12.7275 -3.9878 3 541.8490375 89503 303625211 615110 a-Alanine, conf. II
569791.5647 89.4923 -3.9390 3 1127.0264603 89503 303A05249 995248 a-Alanine, conf. II
569791.5648 89.4923 -3.9390 3 1127.0264603 89503 303A05248 995247 a-Alanine, conf. II
569864.1259 69.4733 -3.8285 3 1135.3136663 89503 303B02189 A92188 a-Alanine, conf. II
569864.1259 69.4733 -3.8285 3 1135.3136663 89503 303B02289 A92288 a-Alanine, conf. II
569898.5751 96.5826 -3.7924 3 1069.8896597 89503 303994654 984653 a-Alanine, conf. II
569898.8369 96.5918 -3.7924 3 1069.8896597 89503 303994653 984652 a-Alanine, conf. II
569956.6179 86.8021 -4.2050 3 1223.9116609 89503 303A16239 A06238 a-Alanine, conf. II
569956.6179 86.8021 -4.2050 3 1223.9116609 89503 303A16240 A06239 a-Alanine, conf. II
569995.4806172.9315 -3.5379 3 956.8354573 89503 303953857 943856 a-Alanine, conf. II
570024.3791 86.1789 -3.6203 3 997.5547585 89503 303973959 963958 a-Alanine, conf. II
570050.6642211.4653 -3.8642 3 1178.4411711 89503 303B810A8 B710A7 a-Alanine, conf. II
570050.6642211.4653 -3.8642 3 1178.4411711 89503 303B811A8 B711A7 a-Alanine, conf. II
570123.0737 10.0225 -4.1982 3 575.8804423 89503 303704228 694129 a-Alanine, conf. II
570123.0737 10.0225 -4.1982 3 575.8804423 89503 303704229 694128 a-Alanine, conf. II
570181.3805 6.6654 -4.2923 3 353.2126363 89503 303601743 591544 a-Alanine, conf. II
570181.5567 6.6651 -4.2923 3 353.2126363 89503 303601843 591644 a-Alanine, conf. II
570192.0222 5.6408 -4.1375 3 437.1115387 89503 303642936 632737 a-Alanine, conf. II
570218.3608 17.8085 -3.9349 3 538.4192357 89503 3035956 3 5855 4 a-Alanine, conf. II
570218.3608 17.8085 -3.9349 3 538.4192357 89503 3035956 4 5855 3 a-Alanine, conf. II
570247.0234 8.9430 -4.0779 3 555.1911399 89503 303664719 654620 a-Alanine, conf. II
570247.0234 8.9430 -4.0779 3 555.1911399 89503 303664720 654619 a-Alanine, conf. II
570289.5124 41.9358 -3.6853 3 1036.9356603 89503 303A03566 993565 a-Alanine, conf. II
570315.1042 41.9874 -3.6853 3 1036.9339603 89503 303A03466 993465 a-Alanine, conf. II
570361.1896 89.1762 -3.8505 3 1155.8448681 89503 303B31796 B21795 a-Alanine, conf. II
570361.1896 89.1762 -3.8505 3 1155.8448681 89503 303B31896 B21895 a-Alanine, conf. II
570379.6257 87.2306 -4.1782 3 1215.3686609 89503 303A16140 A06139 a-Alanine, conf. II
570379.6257 87.2306 -4.1782 3 1215.3686609 89503 303A16141 A06140 a-Alanine, conf. II
570404.5018347.3772 -3.8666 3 1189.1960729 89503 303C1 6B5 C0 6B4 a-Alanine, conf. II
570404.5018347.3772 -3.8666 3 1189.1960729 89503 303C1 7B5 C0 7B4 a-Alanine, conf. II
570419.3963 39.6252 -3.6606 3 1022.8822597 89503 303993664 983663 a-Alanine, conf. II
570462.6821 57.8287 -3.7774 3 1095.1612633 89503 303A52877 A42876 a-Alanine, conf. II
570462.6821 57.8287 -3.7774 3 1095.1612633 89503 303A52977 A42976 a-Alanine, conf. II
570569.3621 44.6338 -3.7082 3 1050.5894609 89503 303A13468 A03467 a-Alanine, conf. II
570571.0909 44.6405 -3.7082 3 1050.5893609 89503 303A13368 A03367 a-Alanine, conf. II
570608.5265 90.9158 -3.9174 3 1120.1805603 89503 303A05150 995149 a-Alanine, conf. II
570608.5266 90.9158 -3.9174 3 1120.1805603 89503 303A05149 995148 a-Alanine, conf. II
570634.6733 49.4827 -3.5977 3 989.1546585 89503 303973661 963660 a-Alanine, conf. II
570644.9534 65.0848 -3.8140 3 1122.2476651 89503 303A82484 A72483 a-Alanine, conf. II
570644.9534 65.0848 -3.8140 3 1122.2476651 89503 303A82584 A72583 a-Alanine, conf. II
570665.5334109.4990 -3.6937 3 1029.7258591 89503 303984257 974256 a-Alanine, conf. II
570669.8441 15.4824 -4.2131 3 387.3991375 89503 303622042 611843 a-Alanine, conf. II
570688.3313538.6813 -3.8622 3 1196.4155747 89503 303C4 2C2 C3 2C1 a-Alanine, conf. II
570688.3313538.6813 -3.8622 3 1196.4155747 89503 303C4 3C2 C3 3C1 a-Alanine, conf. II
570698.1990 39.8025 -3.6344 3 1008.3857591 89503 303983762 973761 a-Alanine, conf. II
570700.3032 15.4284 -4.2130 3 387.3991375 89503 303622142 611943 a-Alanine, conf. II
570721.4311 39.9342 -3.6601 3 1022.8614597 89503 303993564 983563 a-Alanine, conf. II
570740.5753185.2066 -3.5846 3 979.0846579 89503 303963957 953956 a-Alanine, conf. II
570800.9144 7.4784 -4.4408 3 308.8986303 89503 303503515 493316 a-Alanine, conf. II
570800.9144 7.4784 -4.4408 3 308.8986303 89503 303503516 493317 a-Alanine, conf. II
570828.6138 87.7147 -4.1520 3 1206.9883609 89503 303A16041 A06040 a-Alanine, conf. II
570828.6138 87.7147 -4.1520 3 1206.9883609 89503 303A16042 A06041 a-Alanine, conf. II
570836.1436143.7687 -3.8651 3 1172.7945699 89503 303B613A3 B513A2 a-Alanine, conf. II
570836.1436143.7687 -3.8651 3 1172.7945699 89503 303B614A3 B514A2 a-Alanine, conf. II
570940.3472116.3785 -3.6933 3 1029.7349591 89503 303984256 974255 a-Alanine, conf. II
570958.4220 11.6456 -4.0075 3 546.2956381 89503 303635112 625013 a-Alanine, conf. II
570958.4220 11.6456 -4.0075 3 546.2956381 89503 303635113 625012 a-Alanine, conf. II
571012.5246 10.9344 -4.2320 3 583.6316429 89503 303714130 704031 a-Alanine, conf. II
571012.5246 10.9344 -4.2320 3 583.6316429 89503 303714131 704030 a-Alanine, conf. II
571091.1316 73.1297 -3.8419 3 1145.5253669 89503 303B12091 B02090 a-Alanine, conf. II
571091.1316 73.1297 -3.8419 3 1145.5253669 89503 303B12191 B02190 a-Alanine, conf. II
571094.6089 33.8295 -4.1332 3 453.3731399 89503 303662641 652442 a-Alanine, conf. II
571144.0742 47.6771 -3.7297 3 1063.8942615 89503 303A23370 A13369 a-Alanine, conf. II
571144.1712 47.6776 -3.7297 3 1063.8942615 89503 303A23270 A13269 a-Alanine, conf. II
571245.3115243.6569 -3.8728 3 1186.2016717 89503 303B9 9B0 B8 9A9 a-Alanine, conf. II
571245.3115243.6569 -3.8728 3 1186.2016717 89503 303B910B0 B810A9 a-Alanine, conf. II
571305.9784 88.2618 -4.1264 3 1198.7723609 89503 303A15942 A05941 a-Alanine, conf. II
571305.9784 88.2618 -4.1264 3 1198.7723609 89503 303A15943 A05942 a-Alanine, conf. II
571363.0044100.5145 -3.7732 3 1064.2312597 89503 303994555 984554 a-Alanine, conf. II
571365.0763100.5823 -3.7732 3 1064.2312597 89503 303994554 984553 a-Alanine, conf. II
571396.9937 8.8031 -4.1031 3 561.2342405 89503 303674621 664522 a-Alanine, conf. II
571396.9937 8.8031 -4.1031 3 561.2342405 89503 303674622 664521 a-Alanine, conf. II
571493.0839 16.3494 -3.9511 3 541.6695363 89503 3036055 5 5954 6 a-Alanine, conf. II
571493.0839 16.3494 -3.9511 3 541.6695363 89503 3036055 6 5954 5 a-Alanine, conf. II
571500.3619 92.5845 -3.8962 3 1113.5229603 89503 303A05051 995050 a-Alanine, conf. II
571500.3620 92.5845 -3.8962 3 1113.5229603 89503 303A05050 995049 a-Alanine, conf. II
571565.8817 60.7061 -3.7946 3 1107.0480639 89503 303A62779 A52778 a-Alanine, conf. II
571565.8817 60.7061 -3.7946 3 1107.0480639 89503 303A62879 A52878 a-Alanine, conf. II
571579.0588394.1023 -3.8735 3 1196.0762735 89503 303C2 5B7 C1 5B6 a-Alanine, conf. II
571579.0588394.1023 -3.8735 3 1196.0762735 89503 303C2 6B7 C1 6B6 a-Alanine, conf. II
571587.2597100.2742 -3.8620 3 1165.1593687 89503 303B41698 B31697 a-Alanine, conf. II
571587.2597100.2742 -3.8620 3 1165.1593687 89503 303B41798 B31797 a-Alanine, conf. II
571757.1506 4.5635 -4.2166 3 373.5693351 89503 303583127 572928 a-Alanine, conf. II
571757.5554 4.5635 -4.2166 3 373.5693351 89503 303583128 572929 a-Alanine, conf. II
571794.3251 11.9880 -4.2686 3 591.7920435 89503 303724032 713933 a-Alanine, conf. II
571794.3251 11.9880 -4.2686 3 591.7920435 89503 303724033 713932 a-Alanine, conf. II
571814.4523 88.8806 -4.1014 3 1190.7223609 89503 303A15843 A05842 a-Alanine, conf. II
571814.4523 88.8806 -4.1014 3 1190.7223609 89503 303A15844 A05843 a-Alanine, conf. II
571848.0656602.3268 -3.8673 3 1202.4126753 89503 303C5 1C4 C4 1C3 a-Alanine, conf. II
571848.0656602.3268 -3.8673 3 1202.4126753 89503 303C5 2C4 C4 2C3 a-Alanine, conf. II
571848.6542 2.8337 -4.3648 3 334.1378357 89503 303591544 581345 a-Alanine, conf. II
571848.6569 2.8337 -4.3648 3 334.1378357 89503 303591644 581445 a-Alanine, conf. II
571849.1459 67.3156 -3.8289 3 1133.1611657 89503 303A92386 A82385 a-Alanine, conf. II
571849.1459 67.3156 -3.8289 3 1133.1611657 89503 303A92486 A82485 a-Alanine, conf. II
571913.0493 50.9511 -3.7501 3 1076.8853621 89503 303A33272 A23271 a-Alanine, conf. II
571913.0539 50.9511 -3.7501 3 1076.8853621 89503 303A33172 A23171 a-Alanine, conf. II
571955.3162164.4069 -3.6299 3 1001.8637585 89503 303974057 964056 a-Alanine, conf. II
571999.1302 6.3520 -4.3699 3 323.5143315 89503 303523418 513219 a-Alanine, conf. II
571999.1302 6.3520 -4.3699 3 323.5143315 89503 303523419 513220 a-Alanine, conf. II
572045.7043166.4982 -3.8750 3 1181.2251705 89503 303B712A5 B612A4 a-Alanine, conf. II
572045.7043166.4982 -3.8750 3 1181.2251705 89503 303B713A5 B613A4 a-Alanine, conf. II
572188.1822 10.7132 -4.0282 3 551.0954387 89503 303645014 634915 a-Alanine, conf. II
572188.1822 10.7132 -4.0282 3 551.0954387 89503 303645015 634914 a-Alanine, conf. II
572319.5287 78.1198 -3.8548 3 1155.5210675 89503 303B21993 B11992 a-Alanine, conf. II
572319.5287 78.1198 -3.8548 3 1155.5210675 89503 303B22093 B12092 a-Alanine, conf. II
572357.1730 89.5816 -4.0769 3 1182.8401609 89503 303A15744 A05743 a-Alanine, conf. II
572357.1730 89.5816 -4.0769 3 1182.8401609 89503 303A15745 A05744 a-Alanine, conf. II
572433.9867279.6411 -3.8809 3 1193.7522723 89503 303C0 8B2 B9 8B1 a-Alanine, conf. II
572433.9867279.6411 -3.8809 3 1193.7522723 89503 303C0 9B2 B9 9B1 a-Alanine, conf. II
572434.3295 13.1456 -4.3085 3 600.3755441 89503 303733935 723834 a-Alanine, conf. II
572434.3300 13.1456 -4.3085 3 600.3755441 89503 303733934 723835 a-Alanine, conf. II
572479.5646 94.5611 -3.8755 3 1107.0589603 89503 303A04952 994951 a-Alanine, conf. II
572479.5654 94.5611 -3.8755 3 1107.0589603 89503 303A04951 994950 a-Alanine, conf. II
572510.9929 8.9402 -4.1298 3 567.6484411 89503 303684523 674424 a-Alanine, conf. II
572510.9929 8.9402 -4.1298 3 567.6484411 89503 303684524 674423 a-Alanine, conf. II
572707.3595 63.3464 -3.8112 3 1118.6930645 89503 303A72681 A62680 a-Alanine, conf. II
572707.3595 63.3464 -3.8112 3 1118.6930645 89503 303A72781 A62780 a-Alanine, conf. II
572713.6865 5.4319 -4.3106 3 339.1408327 89503 303543321 533122 a-Alanine, conf. II
572713.6866 5.4319 -4.3106 3 339.1408327 89503 303543322 533123 a-Alanine, conf. II
572742.9617 4.8111 -4.2602 3 355.8105339 89503 303563224 553025 a-Alanine, conf. II
572742.9656 4.8111 -4.2602 3 355.8105339 89503 303563225 553026 a-Alanine, conf. II
572748.8834445.2604 -3.8800 3 1202.7458741 89503 303C3 4B9 C2 4B8 a-Alanine, conf. II
572748.8834445.2604 -3.8800 3 1202.7458741 89503 303C3 5B9 C2 5B8 a-Alanine, conf. II
572760.8697 14.9739 -3.9683 3 545.2650369 89503 3036154 7 6053 8 a-Alanine, conf. II
572760.8697 14.9739 -3.9683 3 545.2650369 89503 3036154 8 6053 7 a-Alanine, conf. II
572809.1857114.2598 -3.8732 3 1174.2623693 89503 303B515A0 B41599 a-Alanine, conf. II
572809.1857114.2598 -3.8732 3 1174.2623693 89503 303B516A0 B41699 a-Alanine, conf. II
572814.1122 54.3052 -3.7695 3 1089.5873627 89503 303A43174 A33173 a-Alanine, conf. II
572814.1124 54.3052 -3.7695 3 1089.5873627 89503 303A43074 A33073 a-Alanine, conf. II
572882.8627 14.3638 -4.3524 3 609.4001447 89503 303743837 733736 a-Alanine, conf. II
572882.8821 14.3640 -4.3524 3 609.4001447 89503 303743836 733737 a-Alanine, conf. II
572924.9310 4.8339 -4.1733 3 404.1115369 89503 303613031 602832 a-Alanine, conf. II
572937.7696 90.3777 -4.0529 3 1175.1280609 89503 303A15645 A05644 a-Alanine, conf. II
572937.7696 90.3777 -4.0529 3 1175.1280609 89503 303A15646 A05645 a-Alanine, conf. II
572983.6195 4.8506 -4.1732 3 404.1095369 89503 303613032 602833 a-Alanine, conf. II
573005.3430671.1960 -3.8721 3 1208.1978759 89503 303C6 0C6 C5 0C5 a-Alanine, conf. II
573005.3430671.1960 -3.8721 3 1208.1978759 89503 303C6 1C6 C5 1C5 a-Alanine, conf. II
573049.6278112.6636 -3.6755 3 1025.0608591 89503 303984158 974157 a-Alanine, conf. II
573053.3912105.5464 -3.7542 3 1058.8105597 89503 303994456 984455 a-Alanine, conf. II
573063.4741 15.5759 -4.4017 3 618.8894453 89503 303753739 743638 a-Alanine, conf. II
573063.5772 69.7648 -3.8433 3 1143.8517663 89503 303B02288 A92287 a-Alanine, conf. II
573063.5772 69.7648 -3.8433 3 1143.8517663 89503 303B02388 A92387 a-Alanine, conf. II
573064.0092 15.5798 -4.4017 3 618.8894453 89503 303753738 743639 a-Alanine, conf. II
573068.2126105.9966 -3.7542 3 1058.8109597 89503 303994455 984454 a-Alanine, conf. II
573216.3840 74.5810 -3.5207 3 954.0371573 89503 303953758 943757 a-Alanine, conf. II
573229.9557 20.6351 -3.9205 3 543.6245351 89503 3035858 0 5757 1 a-Alanine, conf. II
573229.9557 20.6351 -3.9205 3 543.6245351 89503 3035858 1 5757 0 a-Alanine, conf. II
573231.0555 89.3883 -4.4295 3 1307.0975615 89503 303A26933 A16932 a-Alanine, conf. II
573231.0555 89.3883 -4.4295 3 1307.0975615 89503 303A26934 A16933 a-Alanine, conf. II
573249.3187192.6831 -3.8844 3 1189.4455711 89503 303B811A7 B711A6 a-Alanine, conf. II
573249.3187192.6831 -3.8844 3 1189.4455711 89503 303B812A7 B712A6 a-Alanine, conf. II
573272.9601 45.5402 -3.6296 3 1008.1890591 89503 303983662 973661 a-Alanine, conf. II
573308.8884 6.3410 -4.1357 3 449.6604393 89503 303652937 642738 a-Alanine, conf. II
573400.9270 9.9641 -4.0501 3 556.2514393 89503 303654916 644817 a-Alanine, conf. II
573400.9270 9.9641 -4.0501 3 556.2514393 89503 303654917 644816 a-Alanine, conf. II
573529.4791 89.5881 -4.3985 3 1297.4581615 89503 303A26834 A16833 a-Alanine, conf. II
573529.4791 89.5881 -4.3985 3 1297.4581615 89503 303A26835 A16834 a-Alanine, conf. II
573547.3514 84.9404 -3.8673 3 1165.3022681 89503 303B31895 B21894 a-Alanine, conf. II
573547.3514 84.9404 -3.8673 3 1165.3022681 89503 303B31995 B21994 a-Alanine, conf. II
573560.4750 91.2846 -4.0295 3 1167.5882609 89503 303A15546 A05545 a-Alanine, conf. II
573560.4750 91.2846 -4.0295 3 1167.5882609 89503 303A15547 A05546 a-Alanine, conf. II
573562.2256 96.9329 -3.8553 3 1100.7948603 89503 303A04853 994852 a-Alanine, conf. II
573562.2335 96.9333 -3.8553 3 1100.7948603 89503 303A04852 994851 a-Alanine, conf. II
573580.2387 9.3454 -4.1582 3 574.4394417 89503 303694425 684326 a-Alanine, conf. II
573580.2387 9.3454 -4.1582 3 574.4394417 89503 303694426 684325 a-Alanine, conf. II
573616.9563319.5874 -3.8887 3 1201.0926729 89503 303C1 7B4 C0 7B3 a-Alanine, conf. II
573616.9563319.5874 -3.8887 3 1201.0926729 89503 303C1 8B4 C0 8B3 a-Alanine, conf. II
573763.6231 19.6072 -4.1971 3 402.7640381 89503 303632142 621943 a-Alanine, conf. II
573808.0681 57.6037 -3.7881 3 1102.0177633 89503 303A52976 A42975 a-Alanine, conf. II
573808.0681 57.6037 -3.7881 3 1102.0177633 89503 303A53076 A43075 a-Alanine, conf. II
573826.5138 21.5639 -4.1217 3 472.4228405 89503 303672840 662641 a-Alanine, conf. II
573843.6222 89.8174 -4.3683 3 1287.9743615 89503 303A26735 A16734 a-Alanine, conf. II
573843.6222 89.8174 -4.3683 3 1287.9743615 89503 303A26736 A16735 a-Alanine, conf. II
573873.9300 19.3906 -4.1970 3 402.7641381 89503 303632242 622043 a-Alanine, conf. II
573876.6724 65.7711 -3.8272 3 1130.1027651 89503 303A82583 A72582 a-Alanine, conf. II
573876.6724 65.7711 -3.8272 3 1130.1027651 89503 303A82683 A72682 a-Alanine, conf. II
573914.5561501.0662 -3.8861 3 1209.2044747 89503 303C4 3C1 C3 3C0 a-Alanine, conf. II
573914.5561501.0662 -3.8861 3 1209.2044747 89503 303C4 4C1 C3 4C0 a-Alanine, conf. II
574020.2347 13.6950 -3.9864 3 549.2076375 89503 3036253 9 615210 a-Alanine, conf. II
574020.2347 13.6950 -3.9864 3 549.2076375 89503 303625310 6152 9 a-Alanine, conf. II
574026.2649131.3565 -3.8839 3 1183.1542699 89503 303B614A2 B514A1 a-Alanine, conf. II
574026.2649131.3565 -3.8839 3 1183.1542699 89503 303B615A2 B515A1 a-Alanine, conf. II
574174.6300 90.0790 -4.3387 3 1278.6471615 89503 303A26636 A16635 a-Alanine, conf. II
574174.6300 90.0790 -4.3387 3 1278.6471615 89503 303A26637 A16636 a-Alanine, conf. II
574214.0403 21.9682 -4.1232 3 547.7818435 89503 303723042 712843 a-Alanine, conf. II
574230.2725 92.3217 -4.0066 3 1160.2236609 89503 303A15447 A05446 a-Alanine, conf. II
574230.2725 92.3217 -4.0066 3 1160.2236609 89503 303A15448 A05447 a-Alanine, conf. II
574238.6273 52.7429 -3.6380 3 1012.5322591 89503 303983861 973860 a-Alanine, conf. II
574284.4025 72.7557 -3.8572 3 1154.3222669 89503 303B12190 B02189 a-Alanine, conf. II
574284.4025 72.7557 -3.8572 3 1154.3222669 89503 303B12290 B02289 a-Alanine, conf. II
574393.7647 56.6126 -4.1597 3 466.0654405 89503 303672542 662343 a-Alanine, conf. II
574427.6596143.0449 -3.6734 3 1025.1127591 89503 303984157 974156 a-Alanine, conf. II
574446.9424222.4585 -3.8935 3 1197.4560717 89503 303B910A9 B810A8 a-Alanine, conf. II
574446.9424222.4585 -3.8935 3 1197.4560717 89503 303B911A9 B811A8 a-Alanine, conf. II
574481.4934 44.2495 -3.7142 3 1055.9584609 89503 303A13567 A03566 a-Alanine, conf. II
574494.1121 44.2816 -3.7142 3 1055.9576609 89503 303A13467 A03466 a-Alanine, conf. II
574506.5202 41.7516 -3.6897 3 1041.9094603 89503 303A03665 993664 a-Alanine, conf. II
574512.1879 19.0382 -3.9355 3 546.3815357 89503 3035957 2 5856 3 a-Alanine, conf. II
574512.1879 19.0382 -3.9355 3 546.3815357 89503 3035957 3 5856 2 a-Alanine, conf. II
574523.7696 90.3761 -4.3098 3 1269.4773615 89503 303A26537 A16536 a-Alanine, conf. II
574523.7696 90.3761 -4.3098 3 1269.4773615 89503 303A26538 A16537 a-Alanine, conf. II
574540.7650 12.0926 -4.1049 3 562.3209441 89503 303733043 722844 a-Alanine, conf. II
574545.4317 9.2533 -4.2683 3 368.2343369 89503 303611843 601644 a-Alanine, conf. II
574546.2350 9.2521 -4.2683 3 368.2343369 89503 303611943 601744 a-Alanine, conf. II
574592.8386 9.4359 -4.0732 3 561.7669399 89503 303664818 654719 a-Alanine, conf. II
574592.8386 9.4359 -4.0732 3 561.7669399 89503 303664819 654718 a-Alanine, conf. II
574593.4255 9.9911 -4.1884 3 581.6141423 89503 303704327 694228 a-Alanine, conf. II
574593.4255 9.9911 -4.1884 3 581.6141423 89503 303704328 694227 a-Alanine, conf. II
574665.3018 41.9362 -3.6895 3 1041.8986603 89503 303A03565 993564 a-Alanine, conf. II
574769.6465 99.8261 -3.8354 3 1094.7385603 89503 303A04754 994753 a-Alanine, conf. II
574769.7181 99.8288 -3.8354 3 1094.7385603 89503 303A04753 994752 a-Alanine, conf. II
574773.0681 94.0594 -3.8794 3 1174.8700687 89503 303B41797 B31796 a-Alanine, conf. II
574773.0681 94.0594 -3.8794 3 1174.8700687 89503 303B41897 B31896 a-Alanine, conf. II
574794.5825363.6790 -3.8961 3 1208.2226735 89503 303C2 6B6 C1 6B5 a-Alanine, conf. II
574794.5825363.6790 -3.8961 3 1208.2226735 89503 303C2 7B6 C1 7B5 a-Alanine, conf. II
574844.0191 47.1234 -3.7370 3 1069.6216615 89503 303A23469 A13468 a-Alanine, conf. II
574844.8305 47.1270 -3.7370 3 1069.6215615 89503 303A23369 A13368 a-Alanine, conf. II
574849.0686 40.4676 -3.6634 3 1027.4221597 89503 303993763 983762 a-Alanine, conf. II
574868.8243 60.7434 -3.8060 3 1114.1897639 89503 303A62878 A52877 a-Alanine, conf. II
574868.8243 60.7434 -3.8060 3 1114.1897639 89503 303A62978 A52977 a-Alanine, conf. II
574892.4474 90.7125 -4.2815 3 1260.4660615 89503 303A26438 A16437 a-Alanine, conf. II
574892.4474 90.7125 -4.2815 3 1260.4660615 89503 303A26439 A16438 a-Alanine, conf. II
574953.0934 93.5137 -3.9842 3 1153.0372609 89503 303A15348 A05347 a-Alanine, conf. II
574953.0934 93.5137 -3.9842 3 1153.0372609 89503 303A15349 A05348 a-Alanine, conf. II
575030.0258111.7527 -3.7355 3 1053.6461597 89503 303994357 984356 a-Alanine, conf. II
575044.6914 33.0888 -4.1292 3 469.3609405 89503 303672741 662542 a-Alanine, conf. II
575065.9742 68.0632 -3.8427 3 1141.2823657 89503 303A92485 A82484 a-Alanine, conf. II
575065.9742 68.0632 -3.8427 3 1141.2823657 89503 303A92585 A82584 a-Alanine, conf. II
575076.7300561.7453 -3.8918 3 1215.4517753 89503 303C5 2C3 C4 2C2 a-Alanine, conf. II
575076.7300561.7453 -3.8918 3 1215.4517753 89503 303C5 3C3 C4 3C2 a-Alanine, conf. II
575124.5818114.3940 -3.7353 3 1053.6491597 89503 303994356 984355 a-Alanine, conf. II
575139.0815104.5609 -3.6587 3 1020.6938591 89503 303984059 974058 a-Alanine, conf. II
575238.0095151.7320 -3.8943 3 1191.8355705 89503 303B713A4 B613A3 a-Alanine, conf. II
575238.0095151.7320 -3.8943 3 1191.8355705 89503 303B714A4 B614A3 a-Alanine, conf. II
575269.3681 12.5305 -4.0055 3 553.4994381 89503 303635211 625112 a-Alanine, conf. II
575269.3681 12.5305 -4.0055 3 553.4994381 89503 303635212 625111 a-Alanine, conf. II
575282.2308 91.0925 -4.2538 3 1251.6142615 89503 303A26339 A16338 a-Alanine, conf. II
575282.2308 91.0925 -4.2538 3 1251.6142615 89503 303A26340 A16339 a-Alanine, conf. II
575470.8394 50.3311 -3.7584 3 1082.9455621 89503 303A33371 A23370 a-Alanine, conf. II
575470.8831 50.3314 -3.7584 3 1082.9455621 89503 303A33271 A23270 a-Alanine, conf. II
575508.6116 76.7045 -3.8708 3 1164.5748675 89503 303B22092 B12091 a-Alanine, conf. II
575508.6116 76.7045 -3.8708 3 1164.5748675 89503 303B22192 B12191 a-Alanine, conf. II
575535.7690 10.8404 -4.2208 3 589.1806429 89503 303714229 704130 a-Alanine, conf. II
575535.7690 10.8404 -4.2208 3 589.1806429 89503 303714230 704129 a-Alanine, conf. II
575638.6578255.9700 -3.9022 3 1205.2563723 89503 303C0 9B1 B9 9B0 a-Alanine, conf. II
575638.6578255.9700 -3.9022 3 1205.2563723 89503 303C010B1 B910B0 a-Alanine, conf. II
575694.8737 91.5211 -4.2267 3 1242.9233615 89503 303A26240 A16239 a-Alanine, conf. II
575694.8737 91.5211 -4.2267 3 1242.9233615 89503 303A26241 A16240 a-Alanine, conf. II
575736.0847 94.8920 -3.9623 3 1146.0326609 89503 303A15249 A05248 a-Alanine, conf. II
575736.0847 94.8920 -3.9623 3 1146.0326609 89503 303A15250 A05249 a-Alanine, conf. II
575759.1786 9.1634 -4.0976 3 567.6458405 89503 303674720 664621 a-Alanine, conf. II
575759.1786 9.1634 -4.0976 3 567.6458405 89503 303674721 664620 a-Alanine, conf. II
575789.2022 17.5139 -3.9513 3 549.4811363 89503 3036056 4 5955 5 a-Alanine, conf. II
575789.2022 17.5139 -3.9513 3 549.4811363 89503 3036056 5 5955 4 a-Alanine, conf. II
575832.5368 80.2882 -3.6456 3 1016.5686591 89503 303983960 973959 a-Alanine, conf. II
575967.3155412.1118 -3.9031 3 1215.1420741 89503 303C3 5B8 C2 5B7 a-Alanine, conf. II
575967.3155412.1118 -3.9031 3 1215.1420741 89503 303C3 6B8 C2 6B7 a-Alanine, conf. II
575978.2082 63.6598 -3.8233 3 1126.1134645 89503 303A72780 A62779 a-Alanine, conf. II
575978.2082 63.6598 -3.8233 3 1126.1134645 89503 303A72880 A62879 a-Alanine, conf. II
575995.5008105.8685 -3.8911 3 1184.2254693 89503 303B51699 B41698 a-Alanine, conf. II
575995.5008105.8685 -3.8911 3 1184.2254693 89503 303B51799 B41798 a-Alanine, conf. II
576010.5579 7.3083 -4.4197 3 318.3742309 89503 303513516 503317 a-Alanine, conf. II
576010.5579 7.3083 -4.4197 3 318.3742309 89503 303513517 503318 a-Alanine, conf. II
576113.1815 4.7042 -4.2094 3 384.7317357 89503 303593128 582929 a-Alanine, conf. II
576114.2600 4.7045 -4.2094 3 384.7316357 89503 303593129 582930 a-Alanine, conf. II
576130.9212103.4267 -3.8160 3 1088.8994603 89503 303A04655 994654 a-Alanine, conf. II
576131.5188103.4481 -3.8160 3 1088.8994603 89503 303A04654 994653 a-Alanine, conf. II
576132.3477 92.0042 -4.2002 3 1234.3944615 89503 303A26141 A16140 a-Alanine, conf. II
576132.3477 92.0042 -4.2002 3 1234.3944615 89503 303A26142 A16141 a-Alanine, conf. II
576210.2387 24.7227 -4.1836 3 418.3211387 89503 303642242 632043 a-Alanine, conf. II
576236.1280627.5330 -3.8971 3 1221.4874759 89503 303C6 1C5 C5 1C4 a-Alanine, conf. II
576236.1280627.5330 -3.8971 3 1221.4874759 89503 303C6 2C5 C5 2C4 a-Alanine, conf. II
576269.2704 70.3809 -3.8577 3 1152.2359663 89503 303B02387 A92386 a-Alanine, conf. II
576269.2704 70.3809 -3.8577 3 1152.2359663 89503 303B02487 A92486 a-Alanine, conf. II
576272.8890 53.7390 -3.7788 3 1095.9623627 89503 303A43273 A33272 a-Alanine, conf. II
576272.8910 53.7390 -3.7788 3 1095.9623627 89503 303A43173 A33172 a-Alanine, conf. II
576351.3440 43.2653 -3.6607 3 1027.3113597 89503 303993663 983662 a-Alanine, conf. II
576387.5542 11.8547 -4.2556 3 597.1486435 89503 303724131 714032 a-Alanine, conf. II
576387.5542 11.8547 -4.2556 3 597.1486435 89503 303724132 714031 a-Alanine, conf. II
576444.1151175.5258 -3.9043 3 1200.3064711 89503 303B812A6 B712A5 a-Alanine, conf. II
576444.1151175.5258 -3.9043 3 1200.3064711 89503 303B813A6 B713A5 a-Alanine, conf. II
576495.3290 5.0548 -4.1693 3 415.9531375 89503 303623032 612833 a-Alanine, conf. II
576506.0579 11.5050 -4.0257 3 558.1429387 89503 303645113 635014 a-Alanine, conf. II
576506.0579 11.5050 -4.0257 3 558.1429387 89503 303645114 635013 a-Alanine, conf. II
576582.1230 23.9294 -4.1831 3 418.3216387 89503 303642342 632143 a-Alanine, conf. II
576587.9844 96.4977 -3.9408 3 1139.2139609 89503 303A15150 A05149 a-Alanine, conf. II
576587.9844 96.4977 -3.9408 3 1139.2139609 89503 303A15151 A05150 a-Alanine, conf. II
576596.8806 92.5489 -4.1743 3 1226.0291615 89503 303A26042 A16041 a-Alanine, conf. II
576596.8806 92.5489 -4.1743 3 1226.0291615 89503 303A26043 A16042 a-Alanine, conf. II
576629.0082 5.0855 -4.1691 3 415.9485375 89503 303623033 612834 a-Alanine, conf. II
576674.8358 7.7965 -4.1349 3 462.4205399 89503 303662938 652739 a-Alanine, conf. II
576733.8426 82.0956 -3.8839 3 1174.6115681 89503 303B31994 B21993 a-Alanine, conf. II
576733.8426 82.0956 -3.8839 3 1174.6115681 89503 303B32094 B22093 a-Alanine, conf. II
576751.8012 4.4675 -4.3339 3 348.9959363 89503 303601644 591445 a-Alanine, conf. II
576751.8156 4.4675 -4.3339 3 348.9959363 89503 303601744 591545 a-Alanine, conf. II
576824.6611293.3769 -3.9105 3 1212.8465729 89503 303C1 8B3 C0 8B2 a-Alanine, conf. II
576824.6611293.3769 -3.9105 3 1212.8465729 89503 303C1 9B3 C0 9B2 a-Alanine, conf. II
576894.0254 9.1691 -4.1234 3 573.8927411 89503 303684622 674523 a-Alanine, conf. II
576894.0254 9.1691 -4.1234 3 573.8927411 89503 303684623 674522 a-Alanine, conf. II
577033.2853 34.1374 -4.1472 3 533.4249429 89503 303713041 702842 a-Alanine, conf. II
577059.9193 16.0701 -3.9680 3 552.9249369 89503 3036155 6 6054 7 a-Alanine, conf. II
577059.9193 16.0701 -3.9680 3 552.9249369 89503 3036155 7 6054 6 a-Alanine, conf. II
577087.5735 6.2166 -4.3535 3 333.3970321 89503 303533419 523220 a-Alanine, conf. II
577087.5735 6.2166 -4.3535 3 333.3970321 89503 303533420 523221 a-Alanine, conf. II
577091.0039 93.1633 -4.1489 3 1217.8291615 89503 303A25943 A15942 a-Alanine, conf. II
577091.0039 93.1633 -4.1489 3 1217.8291615 89503 303A25944 A15943 a-Alanine, conf. II
577100.2213 91.2107 -4.1605 3 512.1009423 89503 303702743 692544 a-Alanine, conf. II
577121.8285 12.9967 -4.2932 3 605.5304441 89503 303734033 723934 a-Alanine, conf. II
577121.8285 12.9967 -4.2932 3 605.5304441 89503 303734034 723933 a-Alanine, conf. II
577123.1201 66.3329 -3.8400 3 1137.7964651 89503 303A82682 A72681 a-Alanine, conf. II
577123.1201 66.3329 -3.8400 3 1137.7964651 89503 303A82782 A72781 a-Alanine, conf. II
577135.6870465.0935 -3.9097 3 1221.8506747 89503 303C4 4C0 C3 4B9 a-Alanine, conf. II
577135.6870465.0935 -3.9097 3 1221.8506747 89503 303C4 5C0 C3 5B9 a-Alanine, conf. II
577195.4093 57.1945 -3.7983 3 1108.6943633 89503 303A53175 A43174 a-Alanine, conf. II
577195.4094 57.1945 -3.7983 3 1108.6943633 89503 303A53075 A43074 a-Alanine, conf. II
577213.7629120.6668 -3.9024 3 1193.3692699 89503 303B615A1 B515A0 a-Alanine, conf. II
577213.7629120.6668 -3.9024 3 1193.3692699 89503 303B616A1 B516A0 a-Alanine, conf. II
577314.7055117.7268 -3.7169 3 1048.7611597 89503 303994258 984257 a-Alanine, conf. II
577393.5392698.6749 -3.9020 3 1227.3112765 89503 303C7 0C7 C6 0C6 a-Alanine, conf. II
577393.5392698.6749 -3.9020 3 1227.3112765 89503 303C7 1C7 C6 1C6 a-Alanine, conf. II
577438.5122 4.8416 -4.2505 3 366.5332345 89503 303573225 563026 a-Alanine, conf. II
577438.5242 4.8416 -4.2505 3 366.5332345 89503 303573226 563027 a-Alanine, conf. II
577449.4833 41.5767 -4.1650 3 449.9829399 89503 303662442 652243 a-Alanine, conf. II
577481.9249 72.9718 -3.8723 3 1162.9670669 89503 303B12289 B02288 a-Alanine, conf. II
577481.9249 72.9718 -3.8723 3 1162.9670669 89503 303B12389 B02388 a-Alanine, conf. II
577501.0336 39.4573 -3.5510 3 973.1575579 89503 303963759 953758 a-Alanine, conf. II
577519.6593 98.3854 -3.9198 3 1132.5861609 89503 303A15052 A05051 a-Alanine, conf. II
577519.6595 98.3854 -3.9198 3 1132.5861609 89503 303A15051 A05050 a-Alanine, conf. II
577617.6113 93.8575 -4.1241 3 1209.7960615 89503 303A25844 A15843 a-Alanine, conf. II
577617.6113 93.8575 -4.1241 3 1209.7960615 89503 303A25845 A15844 a-Alanine, conf. II
577638.3626 5.3619 -4.2980 3 349.4383333 89503 303553322 543123 a-Alanine, conf. II
577638.3627 5.3619 -4.2980 3 349.4383333 89503 303553323 543124 a-Alanine, conf. II
577644.4368202.8703 -3.9139 3 1208.5671717 89503 303B911A8 B811A7 a-Alanine, conf. II
577644.4368202.8703 -3.9139 3 1208.5671717 89503 303B912A8 B812A7 a-Alanine, conf. II
577668.0541 31.5495 -4.1728 3 434.0637393 89503 303652342 642143 a-Alanine, conf. II
577686.7715108.0018 -3.7968 3 1083.2898603 89503 303A04556 994555 a-Alanine, conf. II
577691.3075108.1534 -3.7968 3 1083.2899603 89503 303A04555 994554 a-Alanine, conf. II
577700.5405 14.2283 -4.3343 3 614.3409447 89503 303743936 733835 a-Alanine, conf. II
577700.5421 14.2283 -4.3343 3 614.3409447 89503 303743935 733836 a-Alanine, conf. II
577727.5947 10.6497 -4.0469 3 563.1408393 89503 303655015 644916 a-Alanine, conf. II
577727.5947 10.6497 -4.0469 3 563.1408393 89503 303655016 644915 a-Alanine, conf. II
577823.4726 2.4613 -4.4134 3 329.7218357 89503 303591445 581246 a-Alanine, conf. II
577823.4728 2.4613 -4.4134 3 329.7218357 89503 303591545 581346 a-Alanine, conf. II
577840.5201130.9919 -3.7162 3 1048.7794597 89503 303994257 984256 a-Alanine, conf. II
577958.2470 89.4333 -3.8965 3 1184.4336687 89503 303B41896 B31895 a-Alanine, conf. II
577958.2470 89.4333 -3.8965 3 1184.4336687 89503 303B41996 B31995 a-Alanine, conf. II
577989.9135 9.4547 -4.1508 3 580.5127417 89503 303694524 684425 a-Alanine, conf. II
577989.9135 9.4547 -4.1508 3 580.5127417 89503 303694525 684424 a-Alanine, conf. II
578005.2514334.8525 -3.9184 3 1220.2264735 89503 303C2 7B5 C1 7B4 a-Alanine, conf. II
578005.2514334.8525 -3.9184 3 1220.2264735 89503 303C2 8B5 C1 8B4 a-Alanine, conf. II
578067.6061 15.5007 -4.3798 3 623.5995453 89503 303753838 743737 a-Alanine, conf. II
578067.6583 15.5011 -4.3798 3 623.5995453 89503 303753837 743738 a-Alanine, conf. II
578180.0345 94.6434 -4.0998 3 1201.9319615 89503 303A25745 A15744 a-Alanine, conf. II
578180.0345 94.6434 -4.0998 3 1201.9319615 89503 303A25746 A15745 a-Alanine, conf. II
578203.3454 60.5664 -3.8170 3 1121.1579639 89503 303A62977 A52976 a-Alanine, conf. II
578203.3454 60.5664 -3.8170 3 1121.1579639 89503 303A63077 A53076 a-Alanine, conf. II
578255.7741153.8670 -3.5568 3 975.8484579 89503 303963858 953857 a-Alanine, conf. II
578293.8649 68.7960 -3.8562 3 1149.2451657 89503 303A92584 A82583 a-Alanine, conf. II
578293.8649 68.7960 -3.8562 3 1149.2451657 89503 303A92684 A82683 a-Alanine, conf. II
578300.3058522.8430 -3.9159 3 1228.3481753 89503 303C5 3C2 C4 3C1 a-Alanine, conf. II
578300.3058522.8430 -3.9159 3 1228.3481753 89503 303C5 4C2 C4 4C1 a-Alanine, conf. II
578323.0245 14.7181 -3.9856 3 556.7148375 89503 3036254 8 6153 9 a-Alanine, conf. II
578323.0245 14.7181 -3.9856 3 556.7148375 89503 3036254 9 6153 8 a-Alanine, conf. II
578427.2120138.6728 -3.9134 3 1202.3017705 89503 303B714A3 B614A2 a-Alanine, conf. II
578427.2120138.6728 -3.9134 3 1202.3017705 89503 303B715A3 B615A2 a-Alanine, conf. II
578544.9013100.6301 -3.8993 3 1126.1547609 89503 303A14953 A04952 a-Alanine, conf. II
578544.9033100.6302 -3.8993 3 1126.1547609 89503 303A14952 A04951 a-Alanine, conf. II
578572.7973 95.5541 -4.1283 3 559.8797441 89503 303732944 722745 a-Alanine, conf. II
578614.5423 44.0065 -3.7192 3 1061.0729609 89503 303A13666 A03665 a-Alanine, conf. II
578617.1337 12.2975 -4.2475 3 383.4634375 89503 303621943 611744 a-Alanine, conf. II
578620.5654 12.2917 -4.2475 3 383.4634375 89503 303622043 611844 a-Alanine, conf. II
578694.5636 46.6786 -3.7434 3 1075.1210615 89503 303A23568 A13567 a-Alanine, conf. II
578696.4758 44.1255 -3.7190 3 1061.0674609 89503 303A13566 A03565 a-Alanine, conf. II
578700.3209 76.1811 -3.8864 3 1173.4782675 89503 303B22191 B12190 a-Alanine, conf. II
578700.3209 76.1811 -3.8864 3 1173.4782675 89503 303B22291 B12290 a-Alanine, conf. II
578700.7038 46.6979 -3.7434 3 1075.1207615 89503 303A23468 A13467 a-Alanine, conf. II
578782.1382 95.5356 -4.0761 3 1194.2391615 89503 303A25646 A15645 a-Alanine, conf. II
578782.1382 95.5356 -4.0761 3 1194.2391615 89503 303A25647 A15646 a-Alanine, conf. II
578804.6969 20.3212 -3.9367 3 554.4903357 89503 3035958 1 5857 2 a-Alanine, conf. II
578804.6969 20.3212 -3.9367 3 554.4903357 89503 3035958 2 5857 1 a-Alanine, conf. II
578827.6582 28.9221 -4.1713 3 434.0655393 89503 303652442 642243 a-Alanine, conf. II
578838.9693233.9033 -3.9231 3 1216.6175723 89503 303C010B0 B910A9 a-Alanine, conf. II
578838.9693233.9033 -3.9231 3 1216.6175723 89503 303C011B0 B911A9 a-Alanine, conf. II
578842.2634 48.2867 -3.6664 3 1031.6867597 89503 303993862 983861 a-Alanine, conf. II
578930.6489 10.0013 -4.0693 3 568.4961399 89503 303664917 654818 a-Alanine, conf. II
578930.6489 10.0013 -4.0693 3 568.4961399 89503 303664918 654817 a-Alanine, conf. II
578932.1065 41.9931 -3.6930 3 1046.5970603 89503 303A03764 993763 a-Alanine, conf. II
579037.3296 10.0007 -4.1798 3 587.5120423 89503 303704426 694327 a-Alanine, conf. II
579037.3296 10.0007 -4.1798 3 587.5120423 89503 303704427 694326 a-Alanine, conf. II
579130.6505 49.7330 -3.7661 3 1088.7963621 89503 303A33470 A23469 a-Alanine, conf. II
579131.0274 49.7349 -3.7661 3 1088.7963621 89503 303A33370 A23369 a-Alanine, conf. II
579180.3892 99.1845 -3.9088 3 1194.0424693 89503 303B51798 B41797 a-Alanine, conf. II
579180.3892 99.1845 -3.9088 3 1194.0424693 89503 303B51898 B41897 a-Alanine, conf. II
579180.8219380.5838 -3.9259 3 1227.3957741 89503 303C3 6B7 C2 6B6 a-Alanine, conf. II
579180.8219380.5838 -3.9259 3 1227.3957741 89503 303C3 7B7 C2 7B6 a-Alanine, conf. II
579199.0739 94.2715 -4.4191 3 1316.5890621 89503 303A36835 A26834 a-Alanine, conf. II
579199.0739 94.2715 -4.4191 3 1316.5890621 89503 303A36836 A26835 a-Alanine, conf. II
579273.0352 63.7575 -3.8350 3 1133.3653645 89503 303A72879 A62878 a-Alanine, conf. II
579273.0352 63.7575 -3.8350 3 1133.3653645 89503 303A72979 A62978 a-Alanine, conf. II
579428.4457 96.5522 -4.0529 3 1186.7201615 89503 303A25547 A15546 a-Alanine, conf. II
579428.4457 96.5522 -4.0529 3 1186.7201615 89503 303A25548 A15547 a-Alanine, conf. II
579461.8530585.5897 -3.9218 3 1234.6341759 89503 303C6 2C4 C5 2C3 a-Alanine, conf. II
579461.8530585.5897 -3.9218 3 1234.6341759 89503 303C6 3C4 C5 3C3 a-Alanine, conf. II
579483.1206 71.1467 -3.8718 3 1160.4644663 89503 303B02486 A92485 a-Alanine, conf. II
579483.1206 71.1467 -3.8718 3 1160.4644663 89503 303B02586 A92585 a-Alanine, conf. II
579492.5661113.8311 -3.7779 3 1077.9255603 89503 303A04457 994456 a-Alanine, conf. II
579523.3822 94.5356 -4.3892 3 1307.1157621 89503 303A36736 A26735 a-Alanine, conf. II
579523.3822 94.5356 -4.3892 3 1307.1157621 89503 303A36737 A26736 a-Alanine, conf. II
579523.5618114.7900 -3.7779 3 1077.9264603 89503 303A04456 994455 a-Alanine, conf. II
579575.4945 48.5712 -4.1089 3 576.9944447 89503 303743044 732845 a-Alanine, conf. II
579576.9170 13.4739 -4.0042 3 560.8526381 89503 303635310 625211 a-Alanine, conf. II
579576.9170 13.4739 -4.0042 3 560.8526381 89503 303635311 625210 a-Alanine, conf. II
579635.4129160.0521 -3.9239 3 1211.0234711 89503 303B813A5 B713A4 a-Alanine, conf. II
579635.4129160.0521 -3.9239 3 1211.0234711 89503 303B814A5 B714A4 a-Alanine, conf. II
579681.6502103.3376 -3.8792 3 1119.9268609 89503 303A14854 A04853 a-Alanine, conf. II
579681.6693103.3384 -3.8792 3 1119.9268609 89503 303A14853 A04852 a-Alanine, conf. II
579698.1270117.7283 -3.6991 3 1044.1757597 89503 303994159 984158 a-Alanine, conf. II
579778.0275 43.2188 -3.6915 3 1046.5363603 89503 303A03664 993663 a-Alanine, conf. II
579796.0598 5.3174 -4.1662 3 428.0146381 89503 303633033 622834 a-Alanine, conf. II
579803.6378 53.1023 -3.7875 3 1102.1411627 89503 303A43372 A33371 a-Alanine, conf. II
579803.6573 53.1024 -3.7875 3 1102.1411627 89503 303A43272 A33271 a-Alanine, conf. II
579837.5854201.5576 -3.6027 3 998.1224585 89503 303973958 963957 a-Alanine, conf. II
579865.1667 94.8349 -4.3600 3 1297.7995621 89503 303A36637 A26636 a-Alanine, conf. II
579865.1667 94.8349 -4.3600 3 1297.7995621 89503 303A36638 A26637 a-Alanine, conf. II
579921.6243 80.4456 -3.9001 3 1183.7717681 89503 303B32093 B22092 a-Alanine, conf. II
579921.6243 80.4456 -3.9001 3 1183.7717681 89503 303B32193 B22192 a-Alanine, conf. II
580023.9859 10.7739 -4.2108 3 594.8977429 89503 303714328 704229 a-Alanine, conf. II
580023.9859 10.7739 -4.2108 3 594.8977429 89503 303714329 704228 a-Alanine, conf. II
580027.8314268.7736 -3.9319 3 1224.4576729 89503 303C1 9B2 C0 9B1 a-Alanine, conf. II
580027.8314268.7736 -3.9319 3 1224.4576729 89503 303C110B2 C010B1 a-Alanine, conf. II
580083.7347 18.7318 -3.9520 3 557.4397363 89503 3036057 3 5956 4 a-Alanine, conf. II
580083.7347 18.7318 -3.9520 3 557.4397363 89503 3036057 4 5956 3 a-Alanine, conf. II
580090.8218 5.3457 -4.1658 3 428.0044381 89503 303633034 622835 a-Alanine, conf. II
580111.1100 9.5974 -4.0929 3 574.2125405 89503 303674819 664720 a-Alanine, conf. II
580111.1100 9.5974 -4.0929 3 574.2125405 89503 303674820 664719 a-Alanine, conf. II
580124.3032 97.7156 -4.0301 3 1179.3778615 89503 303A25448 A15447 a-Alanine, conf. II
580124.3032 97.7156 -4.0301 3 1179.3778615 89503 303A25449 A15448 a-Alanine, conf. II
580225.7532 95.1731 -4.3313 3 1288.6413621 89503 303A36538 A26537 a-Alanine, conf. II
580225.7532 95.1731 -4.3313 3 1288.6413621 89503 303A36539 A26538 a-Alanine, conf. II
580351.8525430.7703 -3.9331 3 1234.3542747 89503 303C4 5B9 C3 5B8 a-Alanine, conf. II
580351.8525430.7703 -3.9331 3 1234.3542747 89503 303C4 6B9 C3 6B8 a-Alanine, conf. II
580356.4452 4.8770 -4.2033 3 396.1023363 89503 303603129 592930 a-Alanine, conf. II
580359.2335 4.8779 -4.2033 3 396.1022363 89503 303603130 592931 a-Alanine, conf. II
580387.8231 66.7114 -3.8524 3 1145.3259651 89503 303A82781 A72780 a-Alanine, conf. II
580387.8231 66.7114 -3.8524 3 1145.3259651 89503 303A82881 A72880 a-Alanine, conf. II
580399.1708111.7349 -3.9207 3 1203.4386699 89503 303B616A0 B51699 a-Alanine, conf. II
580399.1708111.7349 -3.9207 3 1203.4386699 89503 303B617A0 B51799 a-Alanine, conf. II
580410.8772 40.3751 -3.5850 3 992.4209585 89503 303973760 963759 a-Alanine, conf. II
580483.0081196.3594 -3.6500 3 1020.9421591 89503 303984058 974057 a-Alanine, conf. II
580533.0975 10.6561 -4.1358 3 475.3844405 89503 303672939 662740 a-Alanine, conf. II
580606.6152 95.5544 -4.3033 3 1279.6423621 89503 303A36439 A26438 a-Alanine, conf. II
580606.6152 95.5544 -4.3033 3 1279.6423621 89503 303A36440 A26439 a-Alanine, conf. II
580621.0790653.5736 -3.9272 3 1240.7085765 89503 303C7 1C6 C6 1C5 a-Alanine, conf. II
580621.0790653.5736 -3.9272 3 1240.7085765 89503 303C7 2C6 C6 2C5 a-Alanine, conf. II
580635.2199 56.6393 -3.8079 3 1115.1847633 89503 303A53274 A43273 a-Alanine, conf. II
580635.2207 56.6393 -3.8079 3 1115.1847633 89503 303A53174 A43173 a-Alanine, conf. II
580685.2715 73.5614 -3.8870 3 1171.4582669 89503 303B12388 B02387 a-Alanine, conf. II
580685.2715 73.5614 -3.8870 3 1171.4582669 89503 303B12488 B02487 a-Alanine, conf. II
580750.8745 33.8909 -4.1612 3 449.9891399 89503 303662542 652343 a-Alanine, conf. II
580819.6460 12.3590 -4.0237 3 565.3407387 89503 303645212 635113 a-Alanine, conf. II
580819.6460 12.3590 -4.0237 3 565.3407387 89503 303645213 635112 a-Alanine, conf. II
580838.1080184.9446 -3.9340 3 1219.5345717 89503 303B912A7 B812A6 a-Alanine, conf. II
580838.1080184.9446 -3.9340 3 1219.5345717 89503 303B913A7 B813A6 a-Alanine, conf. II
580876.1022 99.0543 -4.0079 3 1172.2155615 89503 303A25349 A15348 a-Alanine, conf. II
580876.1022 99.0543 -4.0079 3 1172.2155615 89503 303A25350 A15349 a-Alanine, conf. II
580933.7446 11.7356 -4.2440 3 602.6786435 89503 303724230 714131 a-Alanine, conf. II
580933.7446 11.7356 -4.2440 3 602.6786435 89503 303724231 714130 a-Alanine, conf. II
580953.9341106.6620 -3.8595 3 1113.9107609 89503 303A14755 A04754 a-Alanine, conf. II
580954.1012106.6686 -3.8595 3 1113.9107609 89503 303A14754 A04753 a-Alanine, conf. II
581009.3971 95.9835 -4.2759 3 1270.8036621 89503 303A36340 A26339 a-Alanine, conf. II
581009.3971 95.9835 -4.2759 3 1270.8036621 89503 303A36341 A26340 a-Alanine, conf. II
581083.3876 34.7046 -4.1635 3 519.2990423 89503 303703040 692841 a-Alanine, conf. II
581143.6120 86.2643 -3.9133 3 1193.8493687 89503 303B41995 B31994 a-Alanine, conf. II
581143.6120 86.2643 -3.9133 3 1193.8493687 89503 303B42095 B32094 a-Alanine, conf. II
581188.5432 7.1430 -4.4006 3 328.0462315 89503 303523517 513318 a-Alanine, conf. II
581188.5432 7.1430 -4.4006 3 328.0462315 89503 303523518 513319 a-Alanine, conf. II
581211.2534307.6442 -3.9404 3 1232.0873735 89503 303C2 8B4 C1 8B3 a-Alanine, conf. II
581211.2534307.6442 -3.9404 3 1232.0873735 89503 303C2 9B4 C1 9B3 a-Alanine, conf. II
581263.8728 9.4678 -4.1178 3 580.2940411 89503 303684721 674622 a-Alanine, conf. II
581263.8728 9.4678 -4.1178 3 580.2940411 89503 303684722 674621 a-Alanine, conf. II
581290.8503 72.7835 -3.6723 3 1035.7763597 89503 303993961 983960 a-Alanine, conf. II
581357.0308 17.2204 -3.9683 3 560.7325369 89503 3036156 5 6055 6 a-Alanine, conf. II
581357.0308 17.2204 -3.9683 3 560.7325369 89503 3036156 6 6055 5 a-Alanine, conf. II
581404.7270 28.8134 -4.1327 3 485.5244411 89503 303682841 672642 a-Alanine, conf. II
581414.2435102.4176 -3.6834 3 1039.8783597 89503 303994060 984059 a-Alanine, conf. II
581435.9422 96.4661 -4.2491 3 1262.1264621 89503 303A36241 A26240 a-Alanine, conf. II
581435.9422 96.4661 -4.2491 3 1262.1264621 89503 303A36242 A26241 a-Alanine, conf. II
581441.7634 6.6854 -4.3071 3 364.0686369 89503 303611744 601545 a-Alanine, conf. II
581441.8351 6.6853 -4.3071 3 364.0686369 89503 303611844 601645 a-Alanine, conf. II
581518.9041485.6237 -3.9398 3 1241.1018753 89503 303C5 4C1 C4 4C0 a-Alanine, conf. II
581518.9041485.6237 -3.9398 3 1241.1018753 89503 303C5 5C1 C4 5C0 a-Alanine, conf. II
581535.6047 69.4181 -3.8692 3 1157.0472657 89503 303A92683 A82682 a-Alanine, conf. II
581535.6047 69.4181 -3.8692 3 1157.0472657 89503 303A92783 A82782 a-Alanine, conf. II
581576.9772 60.1916 -3.8275 3 1127.9475639 89503 303A63176 A53175 a-Alanine, conf. II
581576.9773 60.1916 -3.8275 3 1127.9475639 89503 303A63076 A53075 a-Alanine, conf. II
581604.8662120.6476 -3.7592 3 1072.8271603 89503 303A04358 994357 a-Alanine, conf. II
581613.7732127.3769 -3.9321 3 1212.6229705 89503 303B715A2 B615A1 a-Alanine, conf. II
581613.7732127.3769 -3.9321 3 1212.6229705 89503 303B716A2 B616A1 a-Alanine, conf. II
581691.5851100.6050 -3.9862 3 1165.2371615 89503 303A25250 A15249 a-Alanine, conf. II
581691.5851100.6050 -3.9862 3 1165.2371615 89503 303A25251 A15250 a-Alanine, conf. II
581744.9613 12.8480 -4.2797 3 610.8650441 89503 303734132 724033 a-Alanine, conf. II
581744.9613 12.8480 -4.2797 3 610.8650441 89503 303734133 724032 a-Alanine, conf. II
581778.8003727.0442 -3.9323 3 1246.5710771 89503 303C8 0C8 C7 0C7 a-Alanine, conf. II
581778.8003727.0442 -3.9323 3 1246.5710771 89503 303C8 1C8 C7 1C7 a-Alanine, conf. II
581792.5041125.9603 -3.7590 3 1072.8332603 89503 303A04357 994356 a-Alanine, conf. II
581888.3263 97.0090 -4.2229 3 1253.6121621 89503 303A36142 A26141 a-Alanine, conf. II
581888.3263 97.0090 -4.2229 3 1253.6121621 89503 303A36143 A26142 a-Alanine, conf. II
581895.9624 76.3089 -3.9017 3 1182.2298675 89503 303B22290 B12289 a-Alanine, conf. II
581895.9624 76.3089 -3.9017 3 1182.2298675 89503 303B22390 B12389 a-Alanine, conf. II
582035.1945213.4848 -3.9438 3 1227.8352723 89503 303C011A9 B911A8 a-Alanine, conf. II
582035.1945213.4848 -3.9438 3 1227.8352723 89503 303C012A9 B912A8 a-Alanine, conf. II
582048.8304 11.4022 -4.0443 3 570.1815393 89503 303655114 645015 a-Alanine, conf. II
582048.8304 11.4022 -4.0443 3 570.1815393 89503 303655115 645014 a-Alanine, conf. II
582058.8832 4.9093 -4.2420 3 377.4596351 89503 303583226 573027 a-Alanine, conf. II
582058.9183 4.9093 -4.2420 3 377.4596351 89503 303583227 573028 a-Alanine, conf. II
582122.8250170.1000 -3.6954 3 1044.2735597 89503 303994158 984157 a-Alanine, conf. II
582135.1507 6.0953 -4.3388 3 343.4779327 89503 303543420 533221 a-Alanine, conf. II
582135.1507 6.0953 -4.3388 3 343.4779327 89503 303543421 533222 a-Alanine, conf. II
582346.7356 15.8610 -4.2296 3 398.8961381 89503 303632043 621844 a-Alanine, conf. II
582360.4759 15.8346 -4.2296 3 398.8961381 89503 303632143 621944 a-Alanine, conf. II
582364.5473 94.1478 -3.9261 3 1203.7123693 89503 303B51897 B41896 a-Alanine, conf. II
582364.5473 94.1478 -3.9261 3 1203.7123693 89503 303B51997 B41996 a-Alanine, conf. II
582368.8994 97.6199 -4.1972 3 1245.2623621 89503 303A36043 A26042 a-Alanine, conf. II
582368.8994 97.6199 -4.1972 3 1245.2623621 89503 303A36044 A26043 a-Alanine, conf. II
582382.5491 9.6249 -4.1443 3 586.7453417 89503 303694623 684524 a-Alanine, conf. II
582382.5491 9.6249 -4.1443 3 586.7453417 89503 303694624 684523 a-Alanine, conf. II
582389.5667350.6920 -3.9484 3 1239.5065741 89503 303C3 7B6 C2 7B5 a-Alanine, conf. II
582389.5667350.6920 -3.9484 3 1239.5065741 89503 303C3 8B6 C2 8B5 a-Alanine, conf. II
582394.9424110.8315 -3.8401 3 1108.1171609 89503 303A14656 A04655 a-Alanine, conf. II
582396.2819110.8806 -3.8401 3 1108.1171609 89503 303A14655 A04654 a-Alanine, conf. II
582427.8195 14.0745 -4.3185 3 619.4698447 89503 303744035 733934 a-Alanine, conf. II
582427.8196 14.0745 -4.3185 3 619.4698447 89503 303744034 733935 a-Alanine, conf. II
582508.8181 5.3190 -4.2867 3 359.9364339 89503 303563323 553124 a-Alanine, conf. II
582508.8184 5.3190 -4.2867 3 359.9364339 89503 303563324 553125 a-Alanine, conf. II
582529.6770 55.8287 -3.6204 3 1011.7813591 89503 303983761 973760 a-Alanine, conf. II
582580.2759102.4159 -3.9649 3 1158.4469615 89503 303A25152 A15151 a-Alanine, conf. II
582580.2760102.4159 -3.9649 3 1158.4469615 89503 303A25151 A15150 a-Alanine, conf. II
582597.4260 63.6328 -3.8463 3 1140.4447645 89503 303A72978 A62977 a-Alanine, conf. II
582597.4260 63.6328 -3.8463 3 1140.4447645 89503 303A73078 A63077 a-Alanine, conf. II
582623.4179 15.7968 -3.9853 3 564.3702375 89503 3036255 7 6154 8 a-Alanine, conf. II
582623.4179 15.7968 -3.9853 3 564.3702375 89503 3036255 8 6154 7 a-Alanine, conf. II
582682.6139545.3671 -3.9462 3 1247.6381759 89503 303C6 3C3 C5 3C2 a-Alanine, conf. II
582682.6139545.3671 -3.9462 3 1247.6381759 89503 303C6 4C3 C5 4C2 a-Alanine, conf. II
582707.3656 71.9230 -3.8855 3 1168.5350663 89503 303B02585 A92584 a-Alanine, conf. II
582707.3656 71.9230 -3.8855 3 1168.5350663 89503 303B02685 A92684 a-Alanine, conf. II
582739.7031 5.7286 -4.1642 3 440.3006387 89503 303643034 632835 a-Alanine, conf. II
582747.0887 46.3777 -3.7489 3 1080.3734615 89503 303A23667 A13666 a-Alanine, conf. II
582754.7182 37.7929 -4.1530 3 466.0858405 89503 303672642 662443 a-Alanine, conf. II
582788.6713 46.4552 -3.7488 3 1080.3706615 89503 303A23567 A13566 a-Alanine, conf. II
582823.6123146.3242 -3.9432 3 1221.5960711 89503 303B814A4 B714A3 a-Alanine, conf. II
582823.6123146.3242 -3.9432 3 1221.5960711 89503 303B815A4 B715A3 a-Alanine, conf. II
582880.3378 98.3083 -4.1721 3 1237.0787621 89503 303A35944 A25943 a-Alanine, conf. II
582880.3378 98.3083 -4.1721 3 1237.0787621 89503 303A35945 A25944 a-Alanine, conf. II
582926.1155 49.2280 -3.7730 3 1094.4242621 89503 303A33569 A23568 a-Alanine, conf. II
582929.0668 49.2391 -3.7730 3 1094.4240621 89503 303A33469 A23468 a-Alanine, conf. II
582939.7908 15.3750 -4.3609 3 628.5094453 89503 303753937 743836 a-Alanine, conf. II
582939.7954 15.3750 -4.3609 3 628.5094453 89503 303753936 743837 a-Alanine, conf. II
582961.5976 2.8478 -4.3787 3 344.6231363 89503 303601545 591346 a-Alanine, conf. II
582961.5986 2.8478 -4.3787 3 344.6231363 89503 303601645 591446 a-Alanine, conf. II
582988.5737 43.9869 -3.7229 3 1065.9081609 89503 303A13765 A03764 a-Alanine, conf. II
583095.9892 21.6582 -3.9384 3 562.7454357 89503 3035959 0 5858 1 a-Alanine, conf. II
583095.9892 21.6582 -3.9384 3 562.7454357 89503 3035959 1 5858 0 a-Alanine, conf. II
583111.7902 79.7564 -3.9160 3 1192.7816681 89503 303B32192 B22191 a-Alanine, conf. II
583111.7902 79.7564 -3.9160 3 1192.7816681 89503 303B32292 B22291 a-Alanine, conf. II
583210.2549 46.0338 -3.6958 3 1050.9948603 89503 303A03863 993862 a-Alanine, conf. II
583217.2706 16.6928 -4.4081 3 638.0048459 89503 303763839 753738 a-Alanine, conf. II
583217.4076 16.6939 -4.4081 3 638.0048459 89503 303763838 753739 a-Alanine, conf. II
583226.7059245.8132 -3.9531 3 1235.9254729 89503 303C110B1 C010B0 a-Alanine, conf. II
583226.7059245.8132 -3.9531 3 1235.9254729 89503 303C111B1 C011B0 a-Alanine, conf. II
583261.5554 10.6384 -4.0660 3 575.3780399 89503 303665016 654917 a-Alanine, conf. II
583261.5554 10.6384 -4.0660 3 575.3780399 89503 303665017 654916 a-Alanine, conf. II
583368.0040 5.6376 -4.1634 3 440.2787387 89503 303643035 632836 a-Alanine, conf. II
583425.7086 99.0853 -4.1475 3 1229.0632621 89503 303A35845 A25844 a-Alanine, conf. II
583425.7086 99.0853 -4.1475 3 1229.0632621 89503 303A35846 A25845 a-Alanine, conf. II
583427.3426 52.4650 -3.7956 3 1108.1140627 89503 303A43471 A33470 a-Alanine, conf. II
583427.5159 52.4660 -3.7956 3 1108.1140627 89503 303A43371 A33370 a-Alanine, conf. II
583451.6914 44.5487 -3.7221 3 1065.8756609 89503 303A13665 A03664 a-Alanine, conf. II
583459.0701 10.0590 -4.1723 3 593.5720423 89503 303704525 694426 a-Alanine, conf. II
583459.0701 10.0590 -4.1723 3 593.5720423 89503 303704526 694425 a-Alanine, conf. II
583554.1059104.5519 -3.9441 3 1151.8501615 89503 303A25053 A15052 a-Alanine, conf. II
583554.1064104.5520 -3.9441 3 1151.8501615 89503 303A25052 A15051 a-Alanine, conf. II
583563.1952398.1077 -3.9561 3 1246.7151747 89503 303C4 6B8 C3 6B7 a-Alanine, conf. II
583563.1952398.1077 -3.9561 3 1246.7151747 89503 303C4 7B8 C3 7B7 a-Alanine, conf. II
583583.0866104.5610 -3.9386 3 1213.3617699 89503 303B61799 B51798 a-Alanine, conf. II
583583.0866104.5610 -3.9386 3 1213.3617699 89503 303B61899 B51898 a-Alanine, conf. II
583675.0385 66.8728 -3.8644 3 1152.6878651 89503 303A82880 A72879 a-Alanine, conf. II
583675.0385 66.8728 -3.8644 3 1152.6878651 89503 303A82980 A72979 a-Alanine, conf. II
583843.6911610.2341 -3.9522 3 1253.9629765 89503 303C7 2C5 C6 2C4 a-Alanine, conf. II
583843.6911610.2341 -3.9522 3 1253.9629765 89503 303C7 3C5 C6 3C4 a-Alanine, conf. II
583881.4773 14.4749 -4.0034 3 568.3548381 89503 3036354 9 625310 a-Alanine, conf. II
583881.4773 14.4749 -4.0034 3 568.3548381 89503 303635410 6253 9 a-Alanine, conf. II
583896.2650 74.3392 -3.9013 3 1179.7939669 89503 303B12487 B02486 a-Alanine, conf. II
583896.2650 74.3392 -3.9013 3 1179.7939669 89503 303B12587 B02586 a-Alanine, conf. II
583990.7590125.6018 -3.7409 3 1068.0183603 89503 303A04259 994258 a-Alanine, conf. II
584008.5525 99.9648 -4.1235 3 1221.2179621 89503 303A35746 A25745 a-Alanine, conf. II
584008.5525 99.9648 -4.1235 3 1221.2179621 89503 303A35747 A25746 a-Alanine, conf. II
584028.3040168.7407 -3.9539 3 1230.3580717 89503 303B913A6 B813A5 a-Alanine, conf. II
584028.3040168.7407 -3.9539 3 1230.3580717 89503 303B914A6 B814A5 a-Alanine, conf. II
584051.1194116.1536 -3.8211 3 1102.5594609 89503 303A14557 A04556 a-Alanine, conf. II
584060.8597116.4856 -3.8210 3 1102.5596609 89503 303A14556 A04555 a-Alanine, conf. II
584141.3269 55.9922 -3.8170 3 1121.4813633 89503 303A53373 A43372 a-Alanine, conf. II
584141.3356 55.9923 -3.8170 3 1121.4813633 89503 303A53273 A43272 a-Alanine, conf. II
584330.0866 84.3606 -3.9298 3 1203.1158687 89503 303B42094 B32093 a-Alanine, conf. II
584330.0866 84.3606 -3.9298 3 1203.1158687 89503 303B42194 B32193 a-Alanine, conf. II
584376.8232 20.0037 -3.9533 3 565.5451363 89503 3036058 2 5957 3 a-Alanine, conf. II
584376.8232 20.0037 -3.9533 3 565.5451363 89503 3036058 3 5957 2 a-Alanine, conf. II
584412.7970282.0821 -3.9621 3 1243.8052735 89503 303C2 9B3 C1 9B2 a-Alanine, conf. II
584412.7970282.0821 -3.9621 3 1243.8052735 89503 303C210B3 C110B2 a-Alanine, conf. II
584454.2394 10.1060 -4.0889 3 580.9332405 89503 303674918 664819 a-Alanine, conf. II
584454.2394 10.1060 -4.0889 3 580.9332405 89503 303674919 664818 a-Alanine, conf. II
584473.3705 5.0773 -4.1982 3 407.6826369 89503 303613130 602931 a-Alanine, conf. II
584480.3652 5.0802 -4.1982 3 407.6824369 89503 303613131 602932 a-Alanine, conf. II
584483.1259 10.7424 -4.2020 3 600.7805429 89503 303714427 704328 a-Alanine, conf. II
584483.1259 10.7424 -4.2020 3 600.7805429 89503 303714428 704327 a-Alanine, conf. II
584518.1962 59.8373 -3.6552 3 1031.2124597 89503 303993762 983761 a-Alanine, conf. II
584628.3523107.1030 -3.9237 3 1145.4529615 89503 303A24954 A14953 a-Alanine, conf. II
584628.3573107.1033 -3.9237 3 1145.4529615 89503 303A24953 A14952 a-Alanine, conf. II
584632.9901100.9632 -4.0999 3 1213.5452621 89503 303A35647 A25646 a-Alanine, conf. II
584632.9901100.9632 -4.0999 3 1213.5452621 89503 303A35648 A25647 a-Alanine, conf. II
584720.1241 28.2170 -4.1691 3 505.4421417 89503 303693039 682840 a-Alanine, conf. II
584732.6490450.0949 -3.9634 3 1253.7127753 89503 303C5 5C0 C4 5B9 a-Alanine, conf. II
584732.6490450.0949 -3.9634 3 1253.7127753 89503 303C5 6C0 C4 6B9 a-Alanine, conf. II
584794.5117 69.8633 -3.8819 3 1164.6856657 89503 303A92782 A82781 a-Alanine, conf. II
584794.5117 69.8633 -3.8819 3 1164.6856657 89503 303A92882 A82881 a-Alanine, conf. II
584798.2084117.8835 -3.9506 3 1222.7986705 89503 303B716A1 B616A0 a-Alanine, conf. II
584798.2084117.8835 -3.9506 3 1222.7986705 89503 303B717A1 B617A0 a-Alanine, conf. II
584967.7145150.2670 -3.7394 3 1068.0541603 89503 303A04258 994257 a-Alanine, conf. II
584999.3248 59.6533 -3.8374 3 1134.5526639 89503 303A63275 A53274 a-Alanine, conf. II
584999.3252 59.6533 -3.8374 3 1134.5526639 89503 303A63175 A53174 a-Alanine, conf. II
585002.9135680.4688 -3.9578 3 1260.0760771 89503 303C8 1C7 C7 1C6 a-Alanine, conf. II
585002.9135680.4688 -3.9578 3 1260.0760771 89503 303C8 2C7 C7 2C6 a-Alanine, conf. II
585097.0377 76.8622 -3.9167 3 1190.8278675 89503 303B22389 B12388 a-Alanine, conf. II
585097.0377 76.8622 -3.9167 3 1190.8278675 89503 303B22489 B12488 a-Alanine, conf. II
585129.4842 13.2742 -4.0224 3 572.6883387 89503 303645311 635212 a-Alanine, conf. II
585129.4842 13.2742 -4.0224 3 572.6883387 89503 303645312 635211 a-Alanine, conf. II
585153.4513 15.3750 -4.1391 3 488.5423411 89503 303682940 672741 a-Alanine, conf. II
585186.4505115.2068 -3.5799 3 995.1369585 89503 303973859 963858 a-Alanine, conf. II
585187.2235 6.6237 -4.1634 3 452.8178393 89503 303653035 642836 a-Alanine, conf. II
585204.2976 99.4695 -4.4109 3 1326.4465627 89503 303A46737 A36736 a-Alanine, conf. II
585204.2976 99.4695 -4.4109 3 1326.4465627 89503 303A46738 A36737 a-Alanine, conf. II
585227.6368194.7670 -3.9641 3 1238.9092723 89503 303C012A8 B912A7 a-Alanine, conf. II
585227.6368194.7670 -3.9641 3 1238.9092723 89503 303C013A8 B913A7 a-Alanine, conf. II
585303.8613102.1014 -4.0769 3 1206.0478621 89503 303A35548 A25547 a-Alanine, conf. II
585303.8613102.1014 -4.0769 3 1206.0478621 89503 303A35549 A25548 a-Alanine, conf. II
585399.2730 72.9409 -4.1749 3 495.4534417 89503 303692643 682444 a-Alanine, conf. II
585441.3523 11.6382 -4.2338 3 608.3784435 89503 303724329 714230 a-Alanine, conf. II
585441.3523 11.6382 -4.2338 3 608.3784435 89503 303724330 714229 a-Alanine, conf. II
585548.7605 90.6342 -3.9432 3 1213.2342693 89503 303B51996 B41995 a-Alanine, conf. II
585548.7605 90.6342 -3.9432 3 1213.2342693 89503 303B52096 B42095 a-Alanine, conf. II
585557.1446 99.8098 -4.3820 3 1317.1417627 89503 303A46638 A36637 a-Alanine, conf. II
585557.1446 99.8098 -4.3820 3 1317.1417627 89503 303A46639 A36638 a-Alanine, conf. II
585587.4470 39.1187 -4.1476 3 482.3505411 89503 303682742 672543 a-Alanine, conf. II
585593.7319322.4580 -3.9707 3 1251.4744741 89503 303C3 8B5 C2 8B4 a-Alanine, conf. II
585593.7319322.4580 -3.9707 3 1251.4744741 89503 303C3 9B5 C2 9B4 a-Alanine, conf. II
585622.4587 9.8398 -4.1131 3 586.8511411 89503 303684820 674721 a-Alanine, conf. II
585622.4587 9.8398 -4.1131 3 586.8511411 89503 303684821 674720 a-Alanine, conf. II
585652.3980 18.4251 -3.9690 3 568.6873369 89503 3036157 4 6056 5 a-Alanine, conf. II
585652.3980 18.4251 -3.9690 3 568.6873369 89503 3036157 5 6056 4 a-Alanine, conf. II
585661.7232 20.0591 -4.2143 3 414.5281387 89503 303642143 631944 a-Alanine, conf. II
585713.2402 19.9487 -4.2143 3 414.5282387 89503 303642243 632044 a-Alanine, conf. II
585823.0992110.1977 -3.9037 3 1139.2629615 89503 303A24855 A14854 a-Alanine, conf. II
585823.1446110.1997 -3.9037 3 1139.2629615 89503 303A24854 A14853 a-Alanine, conf. II
585892.8798 9.3757 -4.2838 3 379.3528375 89503 303621844 611645 a-Alanine, conf. II
585893.2159 9.3752 -4.2838 3 379.3528375 89503 303621944 611745 a-Alanine, conf. II
585898.5179506.8691 -3.9703 3 1260.4992759 89503 303C6 4C2 C5 4C1 a-Alanine, conf. II
585898.5179506.8691 -3.9703 3 1260.4992759 89503 303C6 5C2 C5 5C1 a-Alanine, conf. II
585929.4898100.1926 -4.3537 3 1307.9956627 89503 303A46539 A36538 a-Alanine, conf. II
585929.4898100.1926 -4.3537 3 1307.9956627 89503 303A46540 A36539 a-Alanine, conf. II
585944.6401 72.6047 -3.8989 3 1176.4451663 89503 303B02684 A92683 a-Alanine, conf. II
585944.6401 72.6047 -3.8989 3 1176.4451663 89503 303B02784 A92783 a-Alanine, conf. II
585958.3335 63.2978 -3.8570 3 1147.3468645 89503 303A73177 A63176 a-Alanine, conf. II
585958.3336 63.2978 -3.8570 3 1147.3468645 89503 303A73077 A63076 a-Alanine, conf. II
585982.2027122.8276 -3.8022 3 1097.2553609 89503 303A14458 A04457 a-Alanine, conf. II
586009.1593134.4006 -3.9622 3 1232.0235711 89503 303B815A3 B715A2 a-Alanine, conf. II
586009.1593134.4006 -3.9622 3 1232.0235711 89503 303B816A3 B716A2 a-Alanine, conf. II
586026.9102103.4052 -4.0543 3 1198.7287621 89503 303A35449 A25448 a-Alanine, conf. II
586026.9102103.4052 -4.0543 3 1198.7287621 89503 303A35450 A25449 a-Alanine, conf. II
586045.6654124.8238 -3.8021 3 1097.2572609 89503 303A14457 A04456 a-Alanine, conf. II
586161.1254756.3255 -3.9630 3 1265.9770777 89503 303C9 0C9 C8 0C8 a-Alanine, conf. II
586161.1254756.3255 -3.9630 3 1265.9770777 89503 303C9 1C9 C8 1C8 a-Alanine, conf. II
586260.6617120.4527 -3.7235 3 1063.5123603 89503 303A04160 994159 a-Alanine, conf. II
586285.0153107.9905 -4.1710 3 542.7645435 89503 303722844 712645 a-Alanine, conf. II
586305.5904 79.7820 -3.9315 3 1201.6397681 89503 303B32291 B22290 a-Alanine, conf. II
586305.5904 79.7820 -3.9315 3 1201.6397681 89503 303B32391 B22390 a-Alanine, conf. II
586316.1140 12.7078 -4.2679 3 616.3749441 89503 303734231 724132 a-Alanine, conf. II
586316.1140 12.7078 -4.2679 3 616.3749441 89503 303734232 724131 a-Alanine, conf. II
586322.8774100.6227 -4.3260 3 1299.0093627 89503 303A46440 A36439 a-Alanine, conf. II
586322.8774100.6227 -4.3260 3 1299.0093627 89503 303A46441 A36440 a-Alanine, conf. II
586332.8338 6.9852 -4.3833 3 337.9149321 89503 303533518 523319 a-Alanine, conf. II
586332.8338 6.9852 -4.3833 3 337.9149321 89503 303533519 523320 a-Alanine, conf. II
586365.3395 12.2203 -4.0424 3 577.3731393 89503 303655213 645114 a-Alanine, conf. II
586365.3395 12.2203 -4.0424 3 577.3731393 89503 303655214 645113 a-Alanine, conf. II
586391.8685 65.0029 -3.7002 3 1055.1661603 89503 303A03962 993961 a-Alanine, conf. II
586421.5494224.5396 -3.9740 3 1247.2498729 89503 303C111B0 C011A9 a-Alanine, conf. II
586421.5494224.5396 -3.9740 3 1247.2498729 89503 303C112B0 C012A9 a-Alanine, conf. II
586478.9001 5.9711 -4.1617 3 452.7725393 89503 303653036 642837 a-Alanine, conf. II
586597.3421 5.0157 -4.2347 3 388.5907357 89503 303593227 583028 a-Alanine, conf. II
586597.4414 5.0158 -4.2347 3 388.5906357 89503 303593228 583029 a-Alanine, conf. II
586739.0337101.1053 -4.2988 3 1290.1840627 89503 303A46341 A36340 a-Alanine, conf. II
586739.0337101.1053 -4.2988 3 1290.1840627 89503 303A46342 A36341 a-Alanine, conf. II
586760.7142 9.8618 -4.1386 3 593.1358417 89503 303694722 684623 a-Alanine, conf. II
586760.7142 9.8618 -4.1386 3 593.1358417 89503 303694723 684622 a-Alanine, conf. II
586766.1817 99.0929 -3.9561 3 1223.1378699 89503 303B61898 B51897 a-Alanine, conf. II
586766.1817 99.0929 -3.9561 3 1223.1378699 89503 303B61998 B51997 a-Alanine, conf. II
586769.8740367.1217 -3.9789 3 1258.9330747 89503 303C4 7B7 C3 7B6 a-Alanine, conf. II
586769.8740367.1217 -3.9789 3 1258.9330747 89503 303C4 8B7 C3 8B6 a-Alanine, conf. II
586809.0365104.9077 -4.0323 3 1191.5915621 89503 303A35350 A25349 a-Alanine, conf. II
586809.0365104.9077 -4.0323 3 1191.5915621 89503 303A35351 A25350 a-Alanine, conf. II
586821.9230 55.9244 -3.6891 3 1050.7098603 89503 303A03763 993762 a-Alanine, conf. II
586904.2591 48.8653 -3.7789 3 1099.8117621 89503 303A33668 A23667 a-Alanine, conf. II
586921.6750 16.9308 -3.9856 3 572.1736375 89503 3036256 6 6155 7 a-Alanine, conf. II
586921.6750 16.9308 -3.9856 3 572.1736375 89503 3036256 7 6155 6 a-Alanine, conf. II
586922.9776 8.7356 -4.1638 3 465.5759399 89503 303663036 652837 a-Alanine, conf. II
586925.0478 48.9148 -3.7789 3 1099.8104621 89503 303A33568 A23567 a-Alanine, conf. II
586981.6258 19.8516 -4.1682 3 491.8727411 89503 303683038 672839 a-Alanine, conf. II
586989.9650 66.8047 -3.8759 3 1159.8781651 89503 303A82979 A72978 a-Alanine, conf. II
586989.9650 66.8047 -3.8759 3 1159.8781651 89503 303A83079 A73078 a-Alanine, conf. II
587045.3821 46.2382 -3.7532 3 1085.3545615 89503 303A23766 A13765 a-Alanine, conf. II
587061.4676568.6576 -3.9768 3 1267.0743765 89503 303C7 3C4 C6 3C3 a-Alanine, conf. II
587061.4676568.6576 -3.9768 3 1267.0743765 89503 303C7 4C4 C6 4C3 a-Alanine, conf. II
587083.6103 13.9143 -4.3046 3 624.7811447 89503 303744133 734034 a-Alanine, conf. II
587083.6103 13.9143 -4.3046 3 624.7811447 89503 303744134 734033 a-Alanine, conf. II
587117.0298 75.1554 -3.9153 3 1187.9720669 89503 303B12586 B02585 a-Alanine, conf. II
587117.0298 75.1554 -3.9153 3 1187.9720669 89503 303B12686 B02685 a-Alanine, conf. II
587139.0626 5.9925 -4.3255 3 353.7575333 89503 303553421 543222 a-Alanine, conf. II
587139.0626 5.9925 -4.3255 3 353.7575333 89503 303553422 543223 a-Alanine, conf. II
587165.5708114.0252 -3.8841 3 1133.2893615 89503 303A24756 A14755 a-Alanine, conf. II
587165.9537114.0405 -3.8841 3 1133.2893615 89503 303A24755 A14754 a-Alanine, conf. II
587173.5759 51.9018 -3.8029 3 1113.8685627 89503 303A43570 A33569 a-Alanine, conf. II
587174.9784 51.9081 -3.8029 3 1113.8685627 89503 303A43470 A33469 a-Alanine, conf. II
587179.8968101.6470 -4.2723 3 1281.5210627 89503 303A46242 A36241 a-Alanine, conf. II
587179.8968101.6470 -4.2723 3 1281.5210627 89503 303A46243 A36242 a-Alanine, conf. II
587215.4122154.3219 -3.9734 3 1241.0369717 89503 303B914A5 B814A4 a-Alanine, conf. II
587215.4122154.3219 -3.9734 3 1241.0369717 89503 303B915A5 B815A4 a-Alanine, conf. II
587293.0883 46.5352 -3.7528 3 1085.3375615 89503 303A23666 A13665 a-Alanine, conf. II
587320.9289 5.3080 -4.2766 3 370.6357345 89503 303573324 563125 a-Alanine, conf. II
587320.9298 5.3080 -4.2766 3 370.6357345 89503 303573325 563126 a-Alanine, conf. II
587412.0027 45.7744 -3.7259 3 1070.4486609 89503 303A13864 A03863 a-Alanine, conf. II
587415.6613 97.1553 -3.7093 3 1059.2722603 89503 303A04061 994060 a-Alanine, conf. II
587518.7206 83.4885 -3.9459 3 1212.2321687 89503 303B42193 B32192 a-Alanine, conf. II
587518.7206 83.4885 -3.9459 3 1212.2321687 89503 303B42293 B32292 a-Alanine, conf. II
587586.4825 11.3460 -4.0634 3 582.4117399 89503 303665115 655016 a-Alanine, conf. II
587586.4825 11.3460 -4.0634 3 582.4117399 89503 303665116 655015 a-Alanine, conf. II
587610.1135258.2020 -3.9836 3 1255.3798735 89503 303C210B2 C110B1 a-Alanine, conf. II
587610.1135258.2020 -3.9836 3 1255.3798735 89503 303C211B2 C111B1 a-Alanine, conf. II
587639.8954 13.0028 -4.1656 3 478.5887405 89503 303673037 662838 a-Alanine, conf. II
587647.6532102.2551 -4.2463 3 1273.0218627 89503 303A46143 A36142 a-Alanine, conf. II
587647.6532102.2551 -4.2463 3 1273.0218627 89503 303A46144 A36143 a-Alanine, conf. II
587658.6450106.6517 -4.0107 3 1184.6402621 89503 303A35251 A25250 a-Alanine, conf. II
587658.6450106.6517 -4.0107 3 1184.6402621 89503 303A35252 A25251 a-Alanine, conf. II
587710.7813 15.2212 -4.3445 3 633.6109453 89503 303754036 743935 a-Alanine, conf. II
587710.7816 15.2212 -4.3445 3 633.6109453 89503 303754035 743936 a-Alanine, conf. II
587732.4242 55.3217 -3.8254 3 1127.5751633 89503 303A53472 A43471 a-Alanine, conf. II
587732.5032 55.3222 -3.8254 3 1127.5750633 89503 303A53372 A43371 a-Alanine, conf. II
587862.1147 10.1730 -4.1656 3 599.7924423 89503 303704624 694525 a-Alanine, conf. II
587862.1147 10.1730 -4.1656 3 599.7924423 89503 303704625 694524 a-Alanine, conf. II
587917.0051 4.4067 -4.3485 3 359.7420369 89503 303611645 601446 a-Alanine, conf. II
587917.0107 4.4067 -4.3485 3 359.7420369 89503 303611745 601546 a-Alanine, conf. II
587941.6783416.2675 -3.9867 3 1266.1806753 89503 303C5 6B9 C4 6B8 a-Alanine, conf. II
587941.6783416.2675 -3.9867 3 1266.1806753 89503 303C5 7B9 C4 7B8 a-Alanine, conf. II
587981.0947110.1988 -3.9687 3 1232.8280705 89503 303B717A0 B61799 a-Alanine, conf. II
587981.0947110.1988 -3.9687 3 1232.8280705 89503 303B718A0 B61899 a-Alanine, conf. II
588074.5747 70.0911 -3.8942 3 1172.1571657 89503 303A92881 A82880 a-Alanine, conf. II
588074.5747 70.0911 -3.8942 3 1172.1571657 89503 303A92981 A82980 a-Alanine, conf. II
588144.7840102.9386 -4.2208 3 1264.6881627 89503 303A46044 A36043 a-Alanine, conf. II
588144.7840102.9386 -4.2208 3 1264.6881627 89503 303A46045 A36044 a-Alanine, conf. II
588149.9396 16.5847 -4.3883 3 642.8818459 89503 303763938 753837 a-Alanine, conf. II
588149.9523 16.5849 -4.3883 3 642.8818459 89503 303763937 753838 a-Alanine, conf. II
588183.3942 15.5333 -4.0031 3 576.0056381 89503 3036355 8 6254 9 a-Alanine, conf. II
588183.3942 15.5333 -4.0031 3 576.0056381 89503 3036355 9 6254 8 a-Alanine, conf. II
588222.2353635.6983 -3.9830 3 1273.4378771 89503 303C8 2C6 C7 2C5 a-Alanine, conf. II
588222.2353635.6983 -3.9830 3 1273.4378771 89503 303C8 3C6 C7 3C5 a-Alanine, conf. II
588228.9523129.8975 -3.7836 3 1092.2273609 89503 303A14359 A04358 a-Alanine, conf. II
588305.2830 77.6450 -3.9313 3 1199.2706675 89503 303B22488 B12487 a-Alanine, conf. II
588305.2830 77.6450 -3.9313 3 1199.2706675 89503 303B22588 B12587 a-Alanine, conf. II
588416.6332177.8097 -3.9842 3 1249.8391723 89503 303C013A7 B913A6 a-Alanine, conf. II
588416.6332177.8097 -3.9842 3 1249.8391723 89503 303C014A7 B914A6 a-Alanine, conf. II
588442.8742 25.1174 -4.2015 3 430.3546393 89503 303652243 642044 a-Alanine, conf. II
588446.9450 5.2993 -4.1940 3 419.4742375 89503 303623131 612932 a-Alanine, conf. II
588463.9750 5.3072 -4.1940 3 419.4736375 89503 303623132 612933 a-Alanine, conf. II
588482.9018 59.0025 -3.8468 3 1140.9661639 89503 303A63374 A53373 a-Alanine, conf. II
588482.9056 59.0025 -3.8468 3 1140.9661639 89503 303A63274 A53273 a-Alanine, conf. II
588586.1426108.6942 -3.9896 3 1177.8796621 89503 303A35153 A25152 a-Alanine, conf. II
588586.1427108.6942 -3.9896 3 1177.8796621 89503 303A35152 A25151 a-Alanine, conf. II
588592.1989140.2845 -3.7831 3 1092.2397609 89503 303A14358 A04357 a-Alanine, conf. II
588623.3417 24.6948 -4.2013 3 430.3548393 89503 303652343 642144 a-Alanine, conf. II
588650.0337195.3907 -3.6215 3 1017.4637591 89503 303983959 973958 a-Alanine, conf. II
588668.5854 21.3302 -3.9550 3 573.7971363 89503 3036059 1 5958 2 a-Alanine, conf. II
588668.5854 21.3302 -3.9550 3 573.7971363 89503 3036059 2 5958 1 a-Alanine, conf. II
588674.1204103.7081 -4.1959 3 1256.5215627 89503 303A45945 A35944 a-Alanine, conf. II
588674.1204103.7081 -4.1959 3 1256.5215627 89503 303A45946 A35945 a-Alanine, conf. II
588693.7121118.8613 -3.8649 3 1127.5437615 89503 303A24657 A14656 a-Alanine, conf. II
588696.6596118.9715 -3.8649 3 1127.5437615 89503 303A24656 A14655 a-Alanine, conf. II
588733.9165 88.4574 -3.9599 3 1222.6070693 89503 303B52095 B42094 a-Alanine, conf. II
588733.9165 88.4574 -3.9599 3 1222.6070693 89503 303B52195 B42194 a-Alanine, conf. II
588789.7799 10.6890 -4.0856 3 587.8072405 89503 303675017 664918 a-Alanine, conf. II
588789.7799 10.6890 -4.0856 3 587.8072405 89503 303675018 664917 a-Alanine, conf. II
588793.5195295.9100 -3.9927 3 1263.2991741 89503 303C3 9B4 C2 9B3 a-Alanine, conf. II
588793.5195295.9100 -3.9927 3 1263.2991741 89503 303C310B4 C210B3 a-Alanine, conf. II
588917.9373 10.7536 -4.1943 3 606.8266429 89503 303714526 704427 a-Alanine, conf. II
588917.9373 10.7536 -4.1943 3 606.8266429 89503 303714527 704426 a-Alanine, conf. II
589109.6845470.1030 -3.9942 3 1273.2173759 89503 303C6 5C1 C5 5C0 a-Alanine, conf. II
589109.6845470.1030 -3.9942 3 1273.2173759 89503 303C6 6C1 C5 6C0 a-Alanine, conf. II
589192.5521124.3245 -3.9809 3 1242.3054711 89503 303B816A2 B716A1 a-Alanine, conf. II
589192.5521124.3245 -3.9809 3 1242.3054711 89503 303B817A2 B717A1 a-Alanine, conf. II
589198.0701 73.1176 -3.9118 3 1184.1922663 89503 303B02783 A92782 a-Alanine, conf. II
589198.0701 73.1176 -3.9118 3 1184.1922663 89503 303B02883 A92882 a-Alanine, conf. II
589238.9163104.5763 -4.1716 3 1248.5242627 89503 303A45846 A35845 a-Alanine, conf. II
589238.9163104.5763 -4.1716 3 1248.5242627 89503 303A45847 A35846 a-Alanine, conf. II
589364.5599 62.7826 -3.8673 3 1154.0660645 89503 303A73276 A63275 a-Alanine, conf. II
589364.5600 62.7826 -3.8673 3 1154.0660645 89503 303A73176 A63175 a-Alanine, conf. II
589381.6269708.2396 -3.9887 3 1279.5896777 89503 303C9 1C8 C8 1C7 a-Alanine, conf. II
589381.6269708.2396 -3.9887 3 1279.5896777 89503 303C9 2C8 C8 2C7 a-Alanine, conf. II
589436.0268 14.2495 -4.0216 3 580.1853387 89503 303645410 635311 a-Alanine, conf. II
589436.0268 14.2495 -4.0216 3 580.1853387 89503 303645411 635310 a-Alanine, conf. II
589474.4699 6.3748 -4.1607 3 465.4859399 89503 303663037 652838 a-Alanine, conf. II
589484.3101224.3606 -3.6697 3 1040.3050597 89503 303994059 984058 a-Alanine, conf. II
589504.4597 80.2882 -3.9467 3 1210.3445681 89503 303B32390 B22389 a-Alanine, conf. II
589504.4597 80.2882 -3.9467 3 1210.3445681 89503 303B32490 B22489 a-Alanine, conf. II
589585.7352 51.4095 -3.7220 3 1070.2841609 89503 303A13764 A03763 a-Alanine, conf. II
589604.6692111.1124 -3.9689 3 1171.3153621 89503 303A35054 A25053 a-Alanine, conf. II
589604.6704111.1125 -3.9689 3 1171.3153621 89503 303A35053 A25052 a-Alanine, conf. II
589612.6556205.0055 -3.9947 3 1258.4303729 89503 303C112A9 C012A8 a-Alanine, conf. II
589612.6556205.0055 -3.9947 3 1258.4303729 89503 303C113A9 C013A8 a-Alanine, conf. II
589842.9384105.5588 -4.1477 3 1240.6983627 89503 303A45747 A35746 a-Alanine, conf. II
589842.9384105.5588 -4.1477 3 1240.6983627 89503 303A45748 A35747 a-Alanine, conf. II
589908.0658 92.7227 -4.1413 3 591.7665453 89503 303753045 742846 a-Alanine, conf. II
589917.0033 11.5700 -4.2248 3 614.2452435 89503 303724428 714329 a-Alanine, conf. II
589917.0033 11.5700 -4.2248 3 614.2452435 89503 303724429 714328 a-Alanine, conf. II
589946.1830 19.6846 -3.9703 3 576.7892369 89503 3036158 3 6057 4 a-Alanine, conf. II
589946.1830 19.6846 -3.9703 3 576.7892369 89503 3036158 4 6057 3 a-Alanine, conf. II
589949.2123 95.2142 -3.9734 3 1232.7660699 89503 303B61997 B51996 a-Alanine, conf. II
589949.2123 95.2142 -3.9734 3 1232.7660699 89503 303B62097 B52096 a-Alanine, conf. II
589971.3810 10.2872 -4.1091 3 593.5629411 89503 303684919 674820 a-Alanine, conf. II
589971.3810 10.2872 -4.1091 3 593.5629411 89503 303684920 674819 a-Alanine, conf. II
589972.0650337.8337 -4.0014 3 1271.0077747 89503 303C4 8B6 C3 8B5 a-Alanine, conf. II
589972.0650337.8337 -4.0014 3 1271.0077747 89503 303C4 9B6 C3 9B5 a-Alanine, conf. II
590014.1681 53.7986 -4.1786 3 478.9322411 89503 303682543 672344 a-Alanine, conf. II
590073.0634 12.5405 -4.2637 3 394.8454381 89503 303631944 621745 a-Alanine, conf. II
590074.5419 12.5378 -4.2637 3 394.8454381 89503 303632044 621845 a-Alanine, conf. II
590243.6995 36.5979 -4.1476 3 498.7838417 89503 303692842 682643 a-Alanine, conf. II
590274.5118528.8480 -4.0012 3 1280.0427765 89503 303C7 4C3 C6 4C2 a-Alanine, conf. II
590274.5118528.8480 -4.0012 3 1280.0427765 89503 303C7 5C3 C6 5C2 a-Alanine, conf. II
590327.9421204.2346 -3.7172 3 1063.6910603 89503 303A04159 994158 a-Alanine, conf. II
590339.0367 66.5146 -3.8870 3 1166.8923651 89503 303A83078 A73077 a-Alanine, conf. II
590339.0367 66.5146 -3.8870 3 1166.8923651 89503 303A83178 A73177 a-Alanine, conf. II
590350.0596 75.8954 -3.9289 3 1195.9902669 89503 303B12685 B02684 a-Alanine, conf. II
590350.0596 75.8954 -3.9289 3 1195.9902669 89503 303B12785 B02784 a-Alanine, conf. II
590399.8640141.7489 -3.9926 3 1251.5706717 89503 303B915A4 B815A3 a-Alanine, conf. II
590399.8640141.7489 -3.9926 3 1251.5706717 89503 303B916A4 B816A3 a-Alanine, conf. II
590459.9452125.0348 -3.8459 3 1122.0412615 89503 303A24558 A14557 a-Alanine, conf. II
590467.0570 31.5317 -4.1911 3 446.3695399 89503 303662343 652144 a-Alanine, conf. II
590469.0483 68.0017 -3.6084 3 1014.6567591 89503 303983860 973859 a-Alanine, conf. II
590480.4520125.7468 -3.8459 3 1122.0418615 89503 303A24557 A14556 a-Alanine, conf. II
590490.5854106.6747 -4.1244 3 1233.0465627 89503 303A45648 A35647 a-Alanine, conf. II
590490.5854106.6747 -4.1244 3 1233.0465627 89503 303A45649 A35648 a-Alanine, conf. II
590540.5141786.5403 -3.9940 3 1285.5293783 89503 303D0 0D0 C9 0C9 a-Alanine, conf. II
590540.5141786.5403 -3.9940 3 1285.5293783 89503 303D0 1D0 C9 1C9 a-Alanine, conf. II
590663.2976132.3799 -3.7655 3 1087.4981609 89503 303A14260 A04259 a-Alanine, conf. II
590677.7170 13.1026 -4.0410 3 584.7148393 89503 303655312 645213 a-Alanine, conf. II
590677.7170 13.1026 -4.0410 3 584.7148393 89503 303655313 645212 a-Alanine, conf. II
590710.7111 83.3974 -3.9617 3 1221.1968687 89503 303B42292 B32291 a-Alanine, conf. II
590710.7111 83.3974 -3.9617 3 1221.1968687 89503 303B42392 B32391 a-Alanine, conf. II
590731.2099114.0146 -3.9487 3 1164.9540621 89503 303A34955 A24954 a-Alanine, conf. II
590731.2219114.0152 -3.9487 3 1164.9540621 89503 303A34954 A24953 a-Alanine, conf. II
590788.7231 22.0067 -4.1456 3 501.8836417 89503 303692941 682742 a-Alanine, conf. II
590803.4592236.0480 -4.0047 3 1266.8107735 89503 303C211B1 C111B0 a-Alanine, conf. II
590803.4592236.0480 -4.0047 3 1266.8107735 89503 303C212B1 C112B0 a-Alanine, conf. II
590844.7654 12.5836 -4.2574 3 622.0564441 89503 303734330 724231 a-Alanine, conf. II
590844.7654 12.5836 -4.2574 3 622.0564441 89503 303734331 724230 a-Alanine, conf. II
591046.2120 5.1607 -4.2283 3 399.9273363 89503 303603228 593029 a-Alanine, conf. II
591046.4848 5.1608 -4.2283 3 399.9273363 89503 303603229 593030 a-Alanine, conf. II
591055.1375 30.0543 -4.1903 3 446.3703399 89503 303662443 652244 a-Alanine, conf. II
591084.3441 51.4740 -3.8093 3 1119.3887627 89503 303A43669 A33668 a-Alanine, conf. II
591094.5949 51.5045 -3.8093 3 1119.3881627 89503 303A43569 A33568 a-Alanine, conf. II
591117.8929 48.6543 -3.7838 3 1104.9363621 89503 303A33767 A23766 a-Alanine, conf. II
591126.5270 10.1702 -4.1338 3 599.6829417 89503 303694821 684722 a-Alanine, conf. II
591126.5270 10.1702 -4.1338 3 599.6829417 89503 303694822 684721 a-Alanine, conf. II
591146.1457384.1576 -4.0098 3 1278.5055753 89503 303C5 7B8 C4 7B7 a-Alanine, conf. II
591146.1457384.1576 -4.0098 3 1278.5055753 89503 303C5 8B8 C4 8B7 a-Alanine, conf. II
591161.6470 58.4117 -3.7294 3 1074.7260609 89503 303A13963 A03962 a-Alanine, conf. II
591163.0799104.2781 -3.9866 3 1242.7103705 89503 303B71899 B61898 a-Alanine, conf. II
591163.0799104.2781 -3.9866 3 1242.7103705 89503 303B71999 B61998 a-Alanine, conf. II
591187.0429107.9477 -4.1015 3 1225.5714627 89503 303A45549 A35548 a-Alanine, conf. II
591187.0429107.9477 -4.1015 3 1225.5714627 89503 303A45550 A35549 a-Alanine, conf. II
591218.0146 18.1205 -3.9865 3 580.1244375 89503 3036257 5 6156 6 a-Alanine, conf. II
591218.0146 18.1205 -3.9865 3 580.1244375 89503 3036257 6 6156 5 a-Alanine, conf. II
591247.7594 48.8337 -3.7836 3 1104.9275621 89503 303A33667 A23666 a-Alanine, conf. II
591250.5890105.0124 -4.4048 3 1336.6738633 89503 303A56639 A46638 a-Alanine, conf. II
591250.5890105.0124 -4.4048 3 1336.6738633 89503 303A56640 A46639 a-Alanine, conf. II
591282.6964 40.4121 -4.1833 3 462.5655405 89503 303672443 662244 a-Alanine, conf. II
591380.6418 70.0837 -3.9060 3 1179.4579657 89503 303A92980 A82979 a-Alanine, conf. II
591380.6418 70.0837 -3.9060 3 1179.4579657 89503 303A93080 A83079 a-Alanine, conf. II
591434.5718 54.7039 -3.8331 3 1133.4545633 89503 303A53571 A43570 a-Alanine, conf. II
591435.2312 54.7074 -3.8331 3 1133.4545633 89503 303A53471 A43470 a-Alanine, conf. II
591436.8543592.7337 -4.0079 3 1286.6566771 89503 303C8 3C5 C7 3C4 a-Alanine, conf. II
591436.8543592.7337 -4.0079 3 1286.6566771 89503 303C8 4C5 C7 4C4 a-Alanine, conf. II
591441.2531 6.8381 -4.3677 3 347.9808327 89503 303543519 533320 a-Alanine, conf. II
591441.2531 6.8381 -4.3677 3 347.9808327 89503 303543520 533321 a-Alanine, conf. II
591511.2539 46.8930 -3.7565 3 1090.0426615 89503 303A23865 A13864 a-Alanine, conf. II
591522.7171 78.4968 -3.9455 3 1207.5561675 89503 303B22587 B12586 a-Alanine, conf. II
591522.7171 78.4968 -3.9455 3 1207.5561675 89503 303B22687 B12686 a-Alanine, conf. II
591602.5586162.6775 -4.0040 3 1260.6243723 89503 303C014A6 B914A5 a-Alanine, conf. II
591602.5586162.6775 -4.0040 3 1260.6243723 89503 303C015A6 B915A5 a-Alanine, conf. II
591635.0151105.4437 -4.3768 3 1327.5401633 89503 303A56540 A46539 a-Alanine, conf. II
591635.0151105.4437 -4.3768 3 1327.5401633 89503 303A56541 A46540 a-Alanine, conf. II
591681.9281 13.7568 -4.2924 3 630.2699447 89503 303744232 734133 a-Alanine, conf. II
591681.9281 13.7568 -4.2924 3 630.2699447 89503 303744233 734132 a-Alanine, conf. II
591906.2082 12.1226 -4.0615 3 589.5966399 89503 303665214 655115 a-Alanine, conf. II
591906.2082 12.1226 -4.0615 3 589.5966399 89503 303665215 655114 a-Alanine, conf. II
591921.0232 87.3846 -3.9763 3 1231.8296693 89503 303B52194 B42193 a-Alanine, conf. II
591921.0232 87.3846 -3.9763 3 1231.8296693 89503 303B52294 B42293 a-Alanine, conf. II
591938.4923109.4078 -4.0792 3 1218.2764627 89503 303A45450 A35449 a-Alanine, conf. II
591938.4923109.4078 -4.0792 3 1218.2764627 89503 303A45451 A35450 a-Alanine, conf. II
591988.3473117.5577 -3.9289 3 1158.8039621 89503 303A34856 A24855 a-Alanine, conf. II
591988.4534117.5624 -3.9289 3 1158.8039621 89503 303A34855 A24854 a-Alanine, conf. II
591989.1533271.0838 -4.0144 3 1274.9804741 89503 303C310B3 C210B2 a-Alanine, conf. II
591989.1533271.0838 -4.0144 3 1274.9804741 89503 303C311B3 C211B2 a-Alanine, conf. II
592041.2821105.9268 -4.3493 3 1318.5669633 89503 303A56441 A46440 a-Alanine, conf. II
592041.2821105.9268 -4.3493 3 1318.5669633 89503 303A56442 A46441 a-Alanine, conf. II
592044.4388 58.3049 -3.8556 3 1147.1797639 89503 303A63473 A53472 a-Alanine, conf. II
592044.4745 58.3052 -3.8556 3 1147.1797639 89503 303A63373 A53372 a-Alanine, conf. II
592070.1383 5.3330 -4.2678 3 381.5370351 89503 303583325 573126 a-Alanine, conf. II
592070.1410 5.3330 -4.2678 3 381.5370351 89503 303583326 573127 a-Alanine, conf. II
592096.2758 5.9127 -4.3136 3 364.2364339 89503 303563422 553223 a-Alanine, conf. II
592096.2758 5.9127 -4.3136 3 364.2364339 89503 303563423 553224 a-Alanine, conf. II
592249.2956 10.3494 -4.1599 3 606.1715423 89503 303704723 694624 a-Alanine, conf. II
592249.2956 10.3494 -4.1599 3 606.1715423 89503 303704724 694623 a-Alanine, conf. II
592254.8523 5.5369 -4.1908 3 431.4790381 89503 303633132 622933 a-Alanine, conf. II
592295.0898 5.5556 -4.1907 3 431.4777381 89503 303633133 622934 a-Alanine, conf. II
592316.2472435.0800 -4.0177 3 1285.7923759 89503 303C6 6C0 C5 6B9 a-Alanine, conf. II
592316.2472435.0800 -4.0177 3 1285.7923759 89503 303C6 7C0 C5 7B9 a-Alanine, conf. II
592374.3480116.1077 -3.9993 3 1252.4409711 89503 303B817A1 B717A0 a-Alanine, conf. II
592374.3480116.1077 -3.9993 3 1252.4409711 89503 303B818A1 B718A0 a-Alanine, conf. II
592402.2724 15.0537 -4.3301 3 638.8975453 89503 303754134 744035 a-Alanine, conf. II
592402.2724 15.0537 -4.3301 3 638.8975453 89503 303754135 744034 a-Alanine, conf. II
592418.0380176.2133 -3.7629 3 1087.5665609 89503 303A14259 A04258 a-Alanine, conf. II
592453.1132 6.9682 -4.1605 3 478.4175405 89503 303673038 662839 a-Alanine, conf. II
592471.2029106.4678 -4.3224 3 1309.7555633 89503 303A56342 A46341 a-Alanine, conf. II
592471.2029106.4678 -4.3224 3 1309.7555633 89503 303A56343 A46342 a-Alanine, conf. II
592471.3992 73.4144 -3.9244 3 1191.7731663 89503 303B02882 A92881 a-Alanine, conf. II
592471.3992 73.4144 -3.9244 3 1191.7731663 89503 303B02982 A92981 a-Alanine, conf. II
592482.9589 16.6486 -4.0035 3 583.8045381 89503 3036356 7 6255 8 a-Alanine, conf. II
592482.9589 16.6486 -4.0035 3 583.8045381 89503 3036356 8 6255 7 a-Alanine, conf. II
592524.4852132.5071 -3.8271 3 1116.8016615 89503 303A24459 A14458 a-Alanine, conf. II
592597.4774662.0023 -4.0141 3 1293.0588777 89503 303C9 2C7 C8 2C6 a-Alanine, conf. II
592597.4774662.0023 -4.0141 3 1293.0588777 89503 303C9 3C7 C8 3C6 a-Alanine, conf. II
592651.5863136.5629 -3.8269 3 1116.8056615 89503 303A24458 A14457 a-Alanine, conf. II
592667.2151120.0206 -3.7490 3 1083.0678609 89503 303A14161 A04160 a-Alanine, conf. II
592670.7637 6.6744 -4.3223 3 375.0760375 89503 303621745 611546 a-Alanine, conf. II
592670.7926 6.6744 -4.3223 3 375.0760375 89503 303621845 611646 a-Alanine, conf. II
592710.0533 81.0682 -3.9616 3 1218.8943681 89503 303B32489 B22488 a-Alanine, conf. II
592710.0533 81.0682 -3.9616 3 1218.8943681 89503 303B32589 B22588 a-Alanine, conf. II
592752.3964111.0934 -4.0573 3 1211.1653627 89503 303A45351 A35350 a-Alanine, conf. II
592752.3964111.0934 -4.0573 3 1211.1653627 89503 303A45352 A35351 a-Alanine, conf. II
592766.1010 49.4956 -3.7543 3 1089.9506615 89503 303A23765 A13764 a-Alanine, conf. II
592800.3511187.2713 -4.0150 3 1269.4665729 89503 303C113A8 C013A7 a-Alanine, conf. II
592800.3511187.2713 -4.0150 3 1269.4665729 89503 303C114A8 C014A7 a-Alanine, conf. II
592827.4731 62.1345 -3.8770 3 1160.5958645 89503 303A73375 A63374 a-Alanine, conf. II
592827.4748 62.1345 -3.8770 3 1160.5958645 89503 303A73275 A63274 a-Alanine, conf. II
592926.8164107.0738 -4.2961 3 1301.1072633 89503 303A56243 A46242 a-Alanine, conf. II
592926.8164107.0738 -4.2961 3 1301.1072633 89503 303A56244 A46243 a-Alanine, conf. II
592959.1179 22.7118 -3.9573 3 582.1954363 89503 3036060 0 5959 1 a-Alanine, conf. II
592959.1179 22.7118 -3.9573 3 582.1954363 89503 3036060 1 5959 0 a-Alanine, conf. II
592969.0496 16.4366 -4.3712 3 647.9542459 89503 303764037 753936 a-Alanine, conf. II
592969.0506 16.4366 -4.3712 3 647.9542459 89503 303764036 753937 a-Alanine, conf. II
593050.4683 35.7618 -4.1812 3 462.5685405 89503 303672543 662344 a-Alanine, conf. II
593087.0932 89.3564 -3.7366 3 1078.8663609 89503 303A14062 A04061 a-Alanine, conf. II
593118.7493 11.3457 -4.0830 3 594.8335405 89503 303675116 665017 a-Alanine, conf. II
593118.7493 11.3457 -4.0830 3 594.8335405 89503 303675117 665016 a-Alanine, conf. II
593133.0326 92.7443 -3.9904 3 1242.2451699 89503 303B62096 B52095 a-Alanine, conf. II
593133.0326 92.7443 -3.9904 3 1242.2451699 89503 303B62196 B52195 a-Alanine, conf. II
593169.9637310.2722 -4.0236 3 1282.9392747 89503 303C4 9B5 C3 9B4 a-Alanine, conf. II
593169.9637310.2722 -4.0236 3 1282.9392747 89503 303C410B5 C310B4 a-Alanine, conf. II
593332.2523 10.8148 -4.1876 3 613.0341429 89503 303714625 704526 a-Alanine, conf. II
593332.2523 10.8148 -4.1876 3 613.0341429 89503 303714626 704525 a-Alanine, conf. II
593334.1007 17.1666 -4.1545 3 594.1347453 89503 303753144 742945 a-Alanine, conf. II
593407.0533121.9734 -3.9094 3 1152.8750621 89503 303A34757 A24756 a-Alanine, conf. II
593407.9151122.0087 -3.9094 3 1152.8750621 89503 303A34756 A24755 a-Alanine, conf. II
593410.4275107.7533 -4.2704 3 1292.6236633 89503 303A56144 A46143 a-Alanine, conf. II
593410.4275107.7533 -4.2704 3 1292.6236633 89503 303A56145 A46144 a-Alanine, conf. II
593482.9390490.8125 -4.0253 3 1292.8679765 89503 303C7 5C2 C6 5C1 a-Alanine, conf. II
593482.9390490.8125 -4.0253 3 1292.8679765 89503 303C7 6C2 C6 6C1 a-Alanine, conf. II
593582.1410131.0684 -4.0116 3 1261.9587717 89503 303B916A3 B816A2 a-Alanine, conf. II
593582.1410131.0684 -4.0116 3 1261.9587717 89503 303B917A3 B817A2 a-Alanine, conf. II
593598.3037 76.4767 -3.9421 3 1203.8458669 89503 303B12784 B02783 a-Alanine, conf. II
593598.3037 76.4767 -3.9421 3 1203.8458669 89503 303B12884 B02883 a-Alanine, conf. II
593637.8994113.0547 -4.0359 3 1204.2424627 89503 303A45252 A35251 a-Alanine, conf. II
593637.8994113.0547 -4.0359 3 1204.2424627 89503 303A45253 A35252 a-Alanine, conf. II
593730.3436 66.0285 -3.8976 3 1173.7251651 89503 303A83177 A73176 a-Alanine, conf. II
593730.3436 66.0285 -3.8976 3 1173.7251651 89503 303A83277 A73276 a-Alanine, conf. II
593739.6577 15.2842 -4.0214 3 587.8310387 89503 3036455 9 635410 a-Alanine, conf. II
593739.6577 15.2842 -4.0214 3 587.8310387 89503 303645510 6354 9 a-Alanine, conf. II
593757.2150736.9070 -4.0200 3 1299.2492783 89503 303D0 1C9 C9 1C8 a-Alanine, conf. II
593757.2150736.9070 -4.0200 3 1299.2492783 89503 303D0 2C9 C9 2C8 a-Alanine, conf. II
593907.4302 83.8449 -3.9772 3 1230.0083687 89503 303B42391 B32390 a-Alanine, conf. II
593907.4302 83.8449 -3.9772 3 1230.0083687 89503 303B42491 B32490 a-Alanine, conf. II
593924.6569108.5163 -4.2452 3 1284.3065633 89503 303A56045 A46044 a-Alanine, conf. II
593924.6569108.5163 -4.2452 3 1284.3065633 89503 303A56046 A46045 a-Alanine, conf. II
593940.6953 16.2296 -4.2466 3 410.5428387 89503 303642044 631845 a-Alanine, conf. II
593946.7988 16.2169 -4.2465 3 410.5428387 89503 303642144 631945 a-Alanine, conf. II
593993.1187215.6730 -4.0256 3 1278.0977735 89503 303C212B0 C112A9 a-Alanine, conf. II
593993.1187215.6730 -4.0256 3 1278.0977735 89503 303C213B0 C113A9 a-Alanine, conf. II
594057.2251 2.9255 -4.3930 3 355.2604369 89503 303611546 601347 a-Alanine, conf. II
594057.2255 2.9255 -4.3930 3 355.2604369 89503 303611646 601447 a-Alanine, conf. II
594149.6345 39.6787 -3.6417 3 1034.3526597 89503 303993861 983860 a-Alanine, conf. II
594238.5208 20.9993 -3.9721 3 585.0378369 89503 3036159 2 6058 3 a-Alanine, conf. II
594238.5208 20.9993 -3.9721 3 585.0378369 89503 3036159 3 6058 2 a-Alanine, conf. II
594311.9742 10.8110 -4.1058 3 600.4285411 89503 303685018 674919 a-Alanine, conf. II
594311.9742 10.8110 -4.1058 3 600.4285411 89503 303685019 674918 a-Alanine, conf. II
594344.8923100.0132 -4.0041 3 1252.4445705 89503 303B71998 B61997 a-Alanine, conf. II
594344.8923100.0132 -4.0041 3 1252.4445705 89503 303B72098 B62097 a-Alanine, conf. II
594346.2215353.7869 -4.0325 3 1290.6871753 89503 303C5 8B7 C4 8B6 a-Alanine, conf. II
594346.2215353.7869 -4.0325 3 1290.6871753 89503 303C5 9B7 C4 9B6 a-Alanine, conf. II
594365.9640 11.5383 -4.2169 3 620.2767435 89503 303724527 714428 a-Alanine, conf. II
594365.9640 11.5383 -4.2169 3 620.2767435 89503 303724528 714427 a-Alanine, conf. II
594472.5028109.3748 -4.2205 3 1276.1576633 89503 303A55946 A45945 a-Alanine, conf. II
594472.5028109.3748 -4.2205 3 1276.1576633 89503 303A55947 A45946 a-Alanine, conf. II
594606.4034115.3590 -4.0149 3 1197.5128627 89503 303A45154 A35153 a-Alanine, conf. II
594606.4037115.3590 -4.0149 3 1197.5128627 89503 303A45153 A35152 a-Alanine, conf. II
594646.8697551.5790 -4.0325 3 1299.7321771 89503 303C8 4C4 C7 4C3 a-Alanine, conf. II
594646.8697551.5790 -4.0325 3 1299.7321771 89503 303C8 5C4 C7 5C3 a-Alanine, conf. II
594718.6809 69.8437 -3.9174 3 1186.5839657 89503 303A93079 A83078 a-Alanine, conf. II
594718.6809 69.8437 -3.9174 3 1186.5839657 89503 303A93179 A83178 a-Alanine, conf. II
594751.7029 79.2933 -3.9594 3 1215.6821675 89503 303B22686 B12685 a-Alanine, conf. II
594751.7029 79.2933 -3.9594 3 1215.6821675 89503 303B22786 B12785 a-Alanine, conf. II
594785.8304149.4328 -4.0235 3 1271.2643723 89503 303C015A5 B915A4 a-Alanine, conf. II
594785.8304149.4328 -4.0235 3 1271.2643723 89503 303C016A5 B916A4 a-Alanine, conf. II
594834.4722 41.0448 -4.1736 3 478.9423411 89503 303682643 672444 a-Alanine, conf. II
594891.3992139.0965 -3.8086 3 1111.8485615 89503 303A24360 A14359 a-Alanine, conf. II
594916.9666817.7109 -4.0254 3 1305.2276789 89503 303D1 0D1 D0 0D0 a-Alanine, conf. II
594916.9666817.7109 -4.0254 3 1305.2276789 89503 303D1 1D1 D0 1D0 a-Alanine, conf. II
594986.4661 14.0479 -4.0403 3 592.2062393 89503 303655411 645312 a-Alanine, conf. II
594986.4661 14.0479 -4.0403 3 592.2062393 89503 303655412 645311 a-Alanine, conf. II
595030.6819127.5870 -3.8902 3 1147.1804621 89503 303A34658 A24657 a-Alanine, conf. II
595037.0471127.8299 -3.8902 3 1147.1806621 89503 303A34657 A24656 a-Alanine, conf. II
595057.4199110.3434 -4.1963 3 1268.1791633 89503 303A55847 A45846 a-Alanine, conf. II
595057.4199110.3434 -4.1963 3 1268.1791633 89503 303A55848 A45847 a-Alanine, conf. II
595111.2281 87.1616 -3.9923 3 1240.9008693 89503 303B52293 B42292 a-Alanine, conf. II
595111.2281 87.1616 -3.9923 3 1240.9008693 89503 303B52393 B42392 a-Alanine, conf. II
595180.8817248.0236 -4.0358 3 1286.5178741 89503 303C311B2 C211B1 a-Alanine, conf. II
595180.8817248.0236 -4.0358 3 1286.5178741 89503 303C312B2 C212B1 a-Alanine, conf. II
595213.3550 51.2020 -3.8147 3 1124.6538627 89503 303A43768 A33767 a-Alanine, conf. II
595228.6501 38.3697 -4.1758 3 579.1788447 89503 303743143 732944 a-Alanine, conf. II
595280.2512 51.3176 -3.8146 3 1124.6494627 89503 303A43668 A33667 a-Alanine, conf. II
595284.8723 54.2090 -3.8400 3 1139.1052633 89503 303A53670 A43669 a-Alanine, conf. II
595289.8630 54.2272 -3.8400 3 1139.1049633 89503 303A53570 A43569 a-Alanine, conf. II
595338.3027 12.4828 -4.2482 3 627.9066441 89503 303734429 724330 a-Alanine, conf. II
595338.3027 12.4828 -4.2482 3 627.9066441 89503 303734430 724329 a-Alanine, conf. II
595396.6401 5.3425 -4.2230 3 411.4708369 89503 303613229 603030 a-Alanine, conf. II
595397.3673 5.3428 -4.2230 3 411.4708369 89503 303613230 603031 a-Alanine, conf. II
595399.0331 29.8875 -4.1460 3 609.2511459 89503 303763145 752946 a-Alanine, conf. II
595422.9235122.5272 -4.1811 3 574.2735447 89503 303742945 732746 a-Alanine, conf. II
595481.7450 10.5534 -4.1297 3 606.3853417 89503 303694920 684821 a-Alanine, conf. II
595481.7450 10.5534 -4.1297 3 606.3853417 89503 303694921 684820 a-Alanine, conf. II
595512.6205 19.3658 -3.9878 3 588.2226375 89503 3036258 4 6157 5 a-Alanine, conf. II
595512.6205 19.3658 -3.9878 3 588.2226375 89503 3036258 5 6157 4 a-Alanine, conf. II
595518.3542401.8162 -4.0410 3 1298.2240759 89503 303C6 7B9 C5 7B8 a-Alanine, conf. II
595518.3542401.8162 -4.0410 3 1298.2240759 89503 303C6 8B9 C5 8B8 a-Alanine, conf. II
595555.1718109.7131 -4.0174 3 1262.4293711 89503 303B818A0 B71899 a-Alanine, conf. II
595555.1718109.7131 -4.0174 3 1262.4293711 89503 303B819A0 B71999 a-Alanine, conf. II
595558.9573 48.8039 -3.7876 3 1109.7733621 89503 303A33866 A23865 a-Alanine, conf. II
595572.1679 8.1266 -4.1612 3 491.5635411 89503 303683039 672840 a-Alanine, conf. II
595575.8791158.7591 -3.8076 3 1111.8730615 89503 303A24359 A14358 a-Alanine, conf. II
595652.8514 54.0919 -3.7596 3 1094.4451615 89503 303A23964 A13963 a-Alanine, conf. II
595657.0001 92.4229 -4.1921 3 525.7018429 89503 303712744 702545 a-Alanine, conf. II
595672.4271118.0985 -3.9944 3 1190.9824627 89503 303A45055 A35054 a-Alanine, conf. II
595672.4302118.0987 -3.9944 3 1190.9824627 89503 303A45054 A35053 a-Alanine, conf. II
595683.4203111.4396 -4.1727 3 1260.3734633 89503 303A55748 A45747 a-Alanine, conf. II
595683.4203111.4396 -4.1727 3 1260.3734633 89503 303A55749 A45748 a-Alanine, conf. II
595706.9864 57.6373 -3.8637 3 1153.1827639 89503 303A63572 A53571 a-Alanine, conf. II
595707.2932 57.6391 -3.8637 3 1153.1827639 89503 303A63472 A53471 a-Alanine, conf. II
595769.1572 73.4716 -3.9365 3 1199.1843663 89503 303B02981 A92980 a-Alanine, conf. II
595769.1572 73.4716 -3.9365 3 1199.1843663 89503 303B03081 A93080 a-Alanine, conf. II
595808.7619617.6148 -4.0393 3 1306.3848777 89503 303C9 3C6 C8 3C5 a-Alanine, conf. II
595808.7619617.6148 -4.0393 3 1306.3848777 89503 303C9 4C6 C8 4C5 a-Alanine, conf. II
595866.1754 5.7873 -4.1885 3 443.6994387 89503 303643133 632934 a-Alanine, conf. II
595924.2913 81.9509 -3.9761 3 1227.2872681 89503 303B32588 B22587 a-Alanine, conf. II
595924.2913 81.9509 -3.9761 3 1227.2872681 89503 303B32688 B22687 a-Alanine, conf. II
595958.4083 5.8244 -4.1883 3 443.6962387 89503 303643134 632935 a-Alanine, conf. II
595984.9984171.4026 -4.0350 3 1280.3580729 89503 303C114A7 C014A6 a-Alanine, conf. II
595984.9984171.4026 -4.0350 3 1280.3580729 89503 303C115A7 C015A6 a-Alanine, conf. II
596221.3895 12.9668 -4.0602 3 596.9321399 89503 303665313 655214 a-Alanine, conf. II
596221.3895 12.9668 -4.0602 3 596.9321399 89503 303665314 655213 a-Alanine, conf. II
596233.4182 13.6098 -4.2816 3 635.9323447 89503 303744331 734232 a-Alanine, conf. II
596233.4182 13.6098 -4.2816 3 635.9323447 89503 303744332 734231 a-Alanine, conf. II
596260.4501 49.9349 -3.7863 3 1109.7231621 89503 303A33766 A23765 a-Alanine, conf. II
596318.6103 91.4525 -4.0070 3 1251.5740699 89503 303B62195 B52194 a-Alanine, conf. II
596318.6103 91.4525 -4.0070 3 1251.5740699 89503 303B62295 B52294 a-Alanine, conf. II
596355.2050112.6854 -4.1495 3 1252.7431633 89503 303A55649 A45648 a-Alanine, conf. II
596355.2050112.6854 -4.1495 3 1252.7431633 89503 303A55650 A45649 a-Alanine, conf. II
596362.1138 61.4165 -3.8862 3 1166.9282645 89503 303A73474 A63473 a-Alanine, conf. II
596362.1298 61.4167 -3.8862 3 1166.9282645 89503 303A73374 A63373 a-Alanine, conf. II
596363.7869284.4729 -4.0456 3 1294.7270747 89503 303C410B4 C310B3 a-Alanine, conf. II
596363.7869284.4729 -4.0456 3 1294.7270747 89503 303C411B4 C311B3 a-Alanine, conf. II
596481.0368163.2015 -3.6433 3 1037.0990597 89503 303993960 983959 a-Alanine, conf. II
596511.4684 6.7056 -4.3537 3 358.2444333 89503 303553520 543321 a-Alanine, conf. II
596511.4684 6.7056 -4.3537 3 358.2444333 89503 303553521 543322 a-Alanine, conf. II
596622.9438 10.5940 -4.1550 3 612.7080423 89503 303704822 694723 a-Alanine, conf. II
596622.9438 10.5940 -4.1550 3 612.7080423 89503 303704823 694722 a-Alanine, conf. II
596636.1903 54.9219 -3.6779 3 1054.1713603 89503 303A03862 993861 a-Alanine, conf. II
596686.8781454.5625 -4.0491 3 1305.5498765 89503 303C7 6C1 C6 6C0 a-Alanine, conf. II
596686.8781454.5625 -4.0491 3 1305.5498765 89503 303C7 7C1 C6 7C0 a-Alanine, conf. II
596751.3841 5.3976 -4.2601 3 392.6411357 89503 303593326 583127 a-Alanine, conf. II
596751.3922 5.3976 -4.2601 3 392.6411357 89503 303593327 583128 a-Alanine, conf. II
596762.7813122.2979 -4.0302 3 1272.2004717 89503 303B917A2 B817A1 a-Alanine, conf. II
596762.7813122.2979 -4.0302 3 1272.2004717 89503 303B918A2 B818A1 a-Alanine, conf. II
596780.4172 17.8209 -4.0043 3 591.7512381 89503 3036357 6 6256 7 a-Alanine, conf. II
596780.4172 17.8209 -4.0043 3 591.7512381 89503 3036357 7 6256 6 a-Alanine, conf. II
596854.9292121.4045 -3.9743 3 1184.6587627 89503 303A44956 A34955 a-Alanine, conf. II
596854.9578121.4058 -3.9743 3 1184.6587627 89503 303A44955 A34954 a-Alanine, conf. II
596865.2808 76.8449 -3.9549 3 1211.5359669 89503 303B12883 B02882 a-Alanine, conf. II
596865.2808 76.8449 -3.9549 3 1211.5359669 89503 303B12983 B02982 a-Alanine, conf. II
596917.0721134.6949 -3.8713 3 1141.7368621 89503 303A34559 A24558 a-Alanine, conf. II
596939.4247 44.4694 -4.1680 3 495.4854417 89503 303692743 682544 a-Alanine, conf. II
596959.3772136.1888 -3.8712 3 1141.7381621 89503 303A34558 A24557 a-Alanine, conf. II
596969.4094689.1668 -4.0457 3 1312.8258783 89503 303D0 2C8 C9 2C7 a-Alanine, conf. II
596969.4094689.1668 -4.0457 3 1312.8258783 89503 303D0 3C8 C9 3C7 a-Alanine, conf. II
597003.4912 5.8610 -4.3031 3 374.9152345 89503 303573423 563224 a-Alanine, conf. II
597003.4913 5.8610 -4.3031 3 374.9152345 89503 303573424 563225 a-Alanine, conf. II
597030.1684 14.8827 -4.3175 3 644.3641453 89503 303754233 744134 a-Alanine, conf. II
597030.1684 14.8827 -4.3175 3 644.3641453 89503 303754234 744133 a-Alanine, conf. II
597078.3383114.1081 -4.1268 3 1245.2913633 89503 303A55550 A45549 a-Alanine, conf. II
597078.3383114.1081 -4.1268 3 1245.2913633 89503 303A55551 A45550 a-Alanine, conf. II
597110.4571 84.6137 -3.9923 3 1238.6650687 89503 303B42490 B32489 a-Alanine, conf. II
597110.4571 84.6137 -3.9923 3 1238.6650687 89503 303B42590 B32589 a-Alanine, conf. II
597174.2493 65.3897 -3.9076 3 1180.3704651 89503 303A83376 A73375 a-Alanine, conf. II
597174.2501 65.3897 -3.9076 3 1180.3704651 89503 303A83276 A73275 a-Alanine, conf. II
597179.4082197.1380 -4.0461 3 1289.2402735 89503 303C213A9 C113A8 a-Alanine, conf. II
597179.4082197.1380 -4.0461 3 1289.2402735 89503 303C214A9 C114A8 a-Alanine, conf. II
597200.0159 9.4646 -4.2997 3 390.6224381 89503 303631845 621646 a-Alanine, conf. II
597200.1549 9.4644 -4.2997 3 390.6224381 89503 303631945 621746 a-Alanine, conf. II
597285.8738137.1028 -3.7909 3 1107.2005615 89503 303A24261 A14260 a-Alanine, conf. II
597342.3684110.9356 -4.4006 3 1347.2749639 89503 303A66541 A56540 a-Alanine, conf. II
597342.3684110.9356 -4.4006 3 1347.2749639 89503 303A66542 A56541 a-Alanine, conf. II
597438.3973 20.5356 -4.2320 3 426.4411393 89503 303652144 641945 a-Alanine, conf. II
597442.0045 12.0750 -4.0811 3 602.0115405 89503 303675215 665116 a-Alanine, conf. II
597442.0045 12.0750 -4.0811 3 602.0115405 89503 303675216 665115 a-Alanine, conf. II
597462.0400 20.4806 -4.2320 3 426.4411393 89503 303652244 642045 a-Alanine, conf. II
597527.3540 97.2298 -4.0213 3 1262.0298705 89503 303B72097 B62096 a-Alanine, conf. II
597527.3540 97.2298 -4.0213 3 1262.0298705 89503 303B72197 B62196 a-Alanine, conf. II
597542.0950325.1836 -4.0550 3 1302.7252753 89503 303C5 9B6 C4 9B5 a-Alanine, conf. II
597542.0950325.1836 -4.0550 3 1302.7252753 89503 303C510B6 C410B5 a-Alanine, conf. II
597625.4935 30.2469 -4.1559 3 515.3971423 89503 303702942 692743 a-Alanine, conf. II
597699.6133 16.2662 -4.3563 3 653.2148459 89503 303764136 754035 a-Alanine, conf. II
597699.6134 16.2662 -4.3563 3 653.2148459 89503 303764135 754036 a-Alanine, conf. II
597729.1927 10.9332 -4.1817 3 619.4013429 89503 303714724 704625 a-Alanine, conf. II
597729.1927 10.9332 -4.1817 3 619.4013429 89503 303714725 704624 a-Alanine, conf. II
597761.8817111.4765 -4.3734 3 1338.3153639 89503 303A66442 A56441 a-Alanine, conf. II
597761.8817111.4765 -4.3734 3 1338.3153639 89503 303A66443 A56442 a-Alanine, conf. II
597852.3928512.2414 -4.0568 3 1312.6643771 89503 303C8 5C3 C7 5C2 a-Alanine, conf. II
597852.3928512.2414 -4.0568 3 1312.6643771 89503 303C8 6C3 C7 6C2 a-Alanine, conf. II
597859.4837115.7423 -4.1047 3 1238.0214633 89503 303A55451 A45450 a-Alanine, conf. II
597859.4837115.7423 -4.1047 3 1238.0214633 89503 303A55452 A45451 a-Alanine, conf. II
597966.9140138.1261 -4.0427 3 1281.7585723 89503 303C016A4 B916A3 a-Alanine, conf. II
597966.9140138.1261 -4.0427 3 1281.7585723 89503 303C017A4 B917A3 a-Alanine, conf. II
597995.0265 79.9433 -3.9728 3 1223.6461675 89503 303B22785 B12784 a-Alanine, conf. II
597995.0265 79.9433 -3.9728 3 1223.6461675 89503 303B22885 B12884 a-Alanine, conf. II
598040.7017 16.3780 -4.0218 3 595.6253387 89503 3036456 8 6355 9 a-Alanine, conf. II
598040.7017 16.3780 -4.0218 3 595.6253387 89503 3036456 9 6355 8 a-Alanine, conf. II
598096.1478 69.3925 -3.9283 3 1193.5298657 89503 303A93178 A83177 a-Alanine, conf. II
598096.1478 69.3925 -3.9283 3 1193.5298657 89503 303A93278 A83277 a-Alanine, conf. II
598129.6742766.4924 -4.0517 3 1319.0548789 89503 303D1 1D0 D0 1C9 a-Alanine, conf. II
598129.6742766.4924 -4.0517 3 1319.0548789 89503 303D1 2D0 D0 2C9 a-Alanine, conf. II
598179.4143125.4686 -3.9546 3 1178.5505627 89503 303A44857 A34856 a-Alanine, conf. II
598179.6584125.4795 -3.9546 3 1178.5505627 89503 303A44856 A34855 a-Alanine, conf. II
598200.7895 17.7202 -4.3987 3 662.5004465 89503 303774038 763937 a-Alanine, conf. II
598200.7925 17.7203 -4.3987 3 662.5004465 89503 303774037 763938 a-Alanine, conf. II
598205.9723112.0810 -4.3467 3 1329.5182639 89503 303A66343 A56342 a-Alanine, conf. II
598205.9723112.0810 -4.3467 3 1329.5182639 89503 303A66344 A56343 a-Alanine, conf. II
598305.8438 87.5379 -4.0080 3 1249.8189693 89503 303B52392 B42391 a-Alanine, conf. II
598305.8438 87.5379 -4.0080 3 1249.8189693 89503 303B52492 B42491 a-Alanine, conf. II
598368.9805226.7826 -4.0569 3 1297.9112741 89503 303C312B1 C212B0 a-Alanine, conf. II
598368.9805226.7826 -4.0569 3 1297.9112741 89503 303C313B1 C213B0 a-Alanine, conf. II
598400.1715 80.2533 -3.7651 3 1098.6496615 89503 303A24063 A14062 a-Alanine, conf. II
598529.5234 22.3697 -3.9744 3 593.4330369 89503 3036160 1 6059 2 a-Alanine, conf. II
598529.5234 22.3697 -3.9744 3 593.4330369 89503 3036160 2 6059 1 a-Alanine, conf. II
598582.2114 68.6700 -3.7145 3 1074.0729609 89503 303A13863 A03862 a-Alanine, conf. II
598583.6676234.2430 -3.6894 3 1059.9680603 89503 303A04060 994059 a-Alanine, conf. II
598645.3575 11.4113 -4.1031 3 607.4471411 89503 303685117 675018 a-Alanine, conf. II
598645.3575 11.4113 -4.1031 3 607.4471411 89503 303685118 675017 a-Alanine, conf. II
598676.7866112.7574 -4.3207 3 1320.8851639 89503 303A66244 A56243 a-Alanine, conf. II
598676.7866112.7574 -4.3207 3 1320.8851639 89503 303A66245 A56244 a-Alanine, conf. II
598706.7290117.6328 -4.0829 3 1230.9374633 89503 303A55352 A45351 a-Alanine, conf. II
598706.7290117.6328 -4.0829 3 1230.9374633 89503 303A55353 A45352 a-Alanine, conf. II
598716.1704370.3332 -4.0640 3 1310.5123759 89503 303C6 8B8 C5 8B7 a-Alanine, conf. II
598716.1704370.3332 -4.0640 3 1310.5123759 89503 303C6 9B8 C5 9B7 a-Alanine, conf. II
598735.7256105.0405 -4.0351 3 1272.2698711 89503 303B81999 B71998 a-Alanine, conf. II
598735.7256105.0405 -4.0351 3 1272.2698711 89503 303B82099 B72098 a-Alanine, conf. II
598792.4701 11.5507 -4.2100 3 626.4708435 89503 303724626 714527 a-Alanine, conf. II
598792.4701 11.5507 -4.2100 3 626.4708435 89503 303724627 714526 a-Alanine, conf. II
598842.6132115.9884 -3.7756 3 1102.8371615 89503 303A24162 A14161 a-Alanine, conf. II
599015.5758575.0809 -4.0641 3 1319.5674777 89503 303C9 4C5 C8 4C4 a-Alanine, conf. II
599015.5758575.0809 -4.0641 3 1319.5674777 89503 303C9 5C5 C8 5C4 a-Alanine, conf. II
599048.8387 10.5747 -4.1632 3 504.9180417 89503 303693040 682841 a-Alanine, conf. II
599060.1353 4.3404 -4.3635 3 370.6399375 89503 303621646 611447 a-Alanine, conf. II
599060.1375 4.3404 -4.3635 3 370.6399375 89503 303621746 611547 a-Alanine, conf. II
599084.3434240.6920 -3.7387 3 1083.3823609 89503 303A14160 A04159 a-Alanine, conf. II
599096.8913 73.2866 -3.9481 3 1206.4215663 89503 303B03080 A93079 a-Alanine, conf. II
599096.8913 73.2866 -3.9481 3 1206.4215663 89503 303B03180 A93179 a-Alanine, conf. II
599118.6865142.7332 -3.8526 3 1136.5660621 89503 303A34460 A24459 a-Alanine, conf. II
599149.4153 82.8015 -3.9902 3 1235.5209681 89503 303B32687 B22686 a-Alanine, conf. II
599149.4153 82.8015 -3.9902 3 1235.5209681 89503 303B32787 B22786 a-Alanine, conf. II
599167.0016157.4638 -4.0548 3 1291.1042729 89503 303C115A6 C015A5 a-Alanine, conf. II
599167.0016157.4638 -4.0548 3 1291.1042729 89503 303C116A6 C016A5 a-Alanine, conf. II
599176.7557113.5149 -4.2951 3 1312.4177639 89503 303A66145 A56144 a-Alanine, conf. II
599176.7557113.5149 -4.2951 3 1312.4177639 89503 303A66146 A56145 a-Alanine, conf. II
599212.7570 44.7940 -4.1941 3 564.4337441 89503 303733142 722943 a-Alanine, conf. II
599235.5891 6.0654 -4.1871 3 456.1381393 89503 303653134 642935 a-Alanine, conf. II
599290.4838849.8596 -4.0573 3 1325.0719795 89503 303D2 0D2 D1 0D1 a-Alanine, conf. II
599290.4838849.8596 -4.0573 3 1325.0719795 89503 303D2 1D2 D1 1D1 a-Alanine, conf. II
599292.0127 15.0552 -4.0401 3 599.8467393 89503 303655510 645411 a-Alanine, conf. II
599292.0127 15.0552 -4.0401 3 599.8467393 89503 303655511 645410 a-Alanine, conf. II
599333.9334 53.8741 -3.8459 3 1144.5080633 89503 303A53769 A43768 a-Alanine, conf. II
599367.3719150.7602 -3.8522 3 1136.5744621 89503 303A34459 A24458 a-Alanine, conf. II
599367.8514 53.9488 -3.8459 3 1144.5058633 89503 303A53669 A43668 a-Alanine, conf. II
599440.5618 6.1172 -4.1868 3 456.1310393 89503 303653135 642936 a-Alanine, conf. II
599503.1892 57.0756 -3.8710 3 1158.9617639 89503 303A63671 A53670 a-Alanine, conf. II
599505.5903 57.0862 -3.8710 3 1158.9616639 89503 303A63571 A53570 a-Alanine, conf. II
599507.0462 91.0813 -4.0233 3 1260.7515699 89503 303B62294 B52293 a-Alanine, conf. II
599507.0462 91.0813 -4.0233 3 1260.7515699 89503 303B62394 B52393 a-Alanine, conf. II
599553.7752260.4802 -4.0672 3 1306.3709747 89503 303C411B3 C311B2 a-Alanine, conf. II
599553.7752260.4802 -4.0672 3 1306.3709747 89503 303C412B3 C312B2 a-Alanine, conf. II
599591.1112 51.1356 -3.8190 3 1129.6390627 89503 303A43867 A33866 a-Alanine, conf. II
599630.0469119.8386 -4.0617 3 1224.0440633 89503 303A55254 A45253 a-Alanine, conf. II
599630.0470119.8386 -4.0617 3 1224.0440633 89503 303A55253 A45252 a-Alanine, conf. II
599638.2623 5.5573 -4.2187 3 423.2222375 89503 303623230 613031 a-Alanine, conf. II
599640.1447 5.5583 -4.2187 3 423.2222375 89503 303623231 613032 a-Alanine, conf. II
599681.2296130.5729 -3.9352 3 1172.6689627 89503 303A44758 A34757 a-Alanine, conf. II
599683.1350130.6525 -3.9352 3 1172.6690627 89503 303A44757 A34756 a-Alanine, conf. II
599708.6501114.3651 -4.2701 3 1304.1177639 89503 303A66046 A56045 a-Alanine, conf. II
599708.6501114.3651 -4.2701 3 1304.1177639 89503 303A66047 A56046 a-Alanine, conf. II
599802.5707 12.4127 -4.2401 3 633.9227441 89503 303734528 724429 a-Alanine, conf. II
599802.5707 12.4127 -4.2401 3 633.9227441 89503 303734529 724428 a-Alanine, conf. II
599805.6466 20.6673 -3.9897 3 596.4677375 89503 3036259 3 6158 4 a-Alanine, conf. II
599805.6466 20.6673 -3.9897 3 596.4677375 89503 3036259 4 6158 3 a-Alanine, conf. II
599827.8346 11.0138 -4.1264 3 613.2422417 89503 303695019 684920 a-Alanine, conf. II
599827.8346 11.0138 -4.1264 3 613.2422417 89503 303695020 684919 a-Alanine, conf. II
599886.4722420.1141 -4.0726 3 1318.0884765 89503 303C7 7C0 C6 7B9 a-Alanine, conf. II
599886.4722420.1141 -4.0726 3 1318.0884765 89503 303C7 8C0 C6 8B9 a-Alanine, conf. II
599932.6371 52.3158 -3.7906 3 1114.3139621 89503 303A33965 A23964 a-Alanine, conf. II
599942.3879115.4076 -4.0486 3 1282.2949717 89503 303B918A1 B818A0 a-Alanine, conf. II
599942.3879115.4076 -4.0486 3 1282.2949717 89503 303B919A1 B819A0 a-Alanine, conf. II
599973.2474 51.6647 -3.8183 3 1129.6122627 89503 303A43767 A33766 a-Alanine, conf. II
599988.9602 60.7045 -3.8946 3 1173.0533645 89503 303A73573 A63572 a-Alanine, conf. II
599989.1017 60.7055 -3.8946 3 1173.0533645 89503 303A73473 A63472 a-Alanine, conf. II
600155.2306 76.9704 -3.9673 3 1219.0570669 89503 303B12982 B02981 a-Alanine, conf. II
600155.2306 76.9704 -3.9673 3 1219.0570669 89503 303B13082 B03081 a-Alanine, conf. II
600177.1788643.3209 -4.0711 3 1326.2588783 89503 303D0 3C7 C9 3C6 a-Alanine, conf. II
600177.1788643.3209 -4.0711 3 1326.2588783 89503 303D0 4C7 C9 4C6 a-Alanine, conf. II
600236.5730 44.2977 -4.1660 3 512.1942423 89503 303702843 692644 a-Alanine, conf. II
600275.6474115.3213 -4.2457 3 1295.9871639 89503 303A65947 A55946 a-Alanine, conf. II
600275.6474115.3213 -4.2457 3 1295.9871639 89503 303A65948 A55947 a-Alanine, conf. II
600311.1672210.4447 -3.7864 3 1107.3274615 89503 303A24260 A14259 a-Alanine, conf. II
600321.6199 85.5215 -4.0070 3 1247.1651687 89503 303B42589 B32588 a-Alanine, conf. II
600321.6199 85.5215 -4.0070 3 1247.1651687 89503 303B42689 B32688 a-Alanine, conf. II
600362.6787180.5092 -4.0664 3 1300.2379735 89503 303C214A8 C114A7 a-Alanine, conf. II
600362.6787180.5092 -4.0664 3 1300.2379735 89503 303C215A8 C115A7 a-Alanine, conf. II
600478.9513 25.6260 -4.2198 3 442.5357399 89503 303662244 652045 a-Alanine, conf. II
600532.5825 13.8772 -4.0594 3 604.4177399 89503 303665412 655313 a-Alanine, conf. II
600532.5825 13.8772 -4.0594 3 604.4177399 89503 303665413 655312 a-Alanine, conf. II
600564.7611 25.4067 -4.2197 3 442.5358399 89503 303662344 652145 a-Alanine, conf. II
600599.0753 68.5918 -3.7503 3 1094.0395615 89503 303A23864 A13863 a-Alanine, conf. II
600641.9664122.4394 -4.0409 3 1217.3467633 89503 303A55155 A45154 a-Alanine, conf. II
600641.9672122.4394 -4.0409 3 1217.3467633 89503 303A55154 A45153 a-Alanine, conf. II
600684.3324 64.6582 -3.9171 3 1186.8207651 89503 303A83475 A73474 a-Alanine, conf. II
600684.3395 64.6582 -3.9171 3 1186.8207651 89503 303A83375 A73374 a-Alanine, conf. II
600711.3950 95.6997 -4.0382 3 1271.4650705 89503 303B72196 B62195 a-Alanine, conf. II
600711.3950 95.6997 -4.0382 3 1271.4650705 89503 303B72296 B62295 a-Alanine, conf. II
600733.9761298.3838 -4.0772 3 1314.6195753 89503 303C510B5 C410B4 a-Alanine, conf. II
600733.9761298.3838 -4.0772 3 1314.6195753 89503 303C511B5 C411B4 a-Alanine, conf. II
600746.3269 13.4805 -4.2721 3 641.7649447 89503 303744430 734331 a-Alanine, conf. II
600746.3269 13.4805 -4.2721 3 641.7649447 89503 303744431 734330 a-Alanine, conf. II
600881.4196116.4002 -4.2217 3 1288.0281639 89503 303A65848 A55847 a-Alanine, conf. II
600881.4196116.4002 -4.2217 3 1288.0281639 89503 303A65849 A55848 a-Alanine, conf. II
600984.9909 10.9117 -4.1509 3 619.4007423 89503 303704921 694822 a-Alanine, conf. II
600984.9909 10.9117 -4.1509 3 619.4007423 89503 303704922 694821 a-Alanine, conf. II
601053.5477474.7325 -4.0809 3 1325.4531771 89503 303C8 6C2 C7 6C1 a-Alanine, conf. II
601053.5477474.7325 -4.0809 3 1325.4531771 89503 303C8 7C2 C7 7C1 a-Alanine, conf. II
601075.9762 19.0502 -4.0057 3 599.8454381 89503 3036358 5 6257 6 a-Alanine, conf. II
601075.9762 19.0502 -4.0057 3 599.8454381 89503 3036358 6 6257 5 a-Alanine, conf. II
601146.3295128.7799 -4.0616 3 1292.1063723 89503 303C017A3 B917A2 a-Alanine, conf. II
601146.3295128.7799 -4.0616 3 1292.1063723 89503 303C018A3 B918A2 a-Alanine, conf. II
601256.0000 80.3848 -3.9859 3 1231.4451675 89503 303B22884 B12883 a-Alanine, conf. II
601256.0000 80.3848 -3.9859 3 1231.4451675 89503 303B22984 B12983 a-Alanine, conf. II
601338.0239717.2124 -4.0776 3 1332.7385789 89503 303D1 2C9 D0 2C8 a-Alanine, conf. II
601338.0239717.2124 -4.0776 3 1332.7385789 89503 303D1 3C9 D0 3C8 a-Alanine, conf. II
601359.0075 5.5040 -4.2535 3 403.9487363 89503 303603327 593128 a-Alanine, conf. II
601359.0311 5.5040 -4.2535 3 403.9487363 89503 303603328 593129 a-Alanine, conf. II
601409.6250137.0825 -3.9161 3 1167.0285627 89503 303A44659 A34658 a-Alanine, conf. II
601423.1108137.6066 -3.9161 3 1167.0289627 89503 303A44658 A34657 a-Alanine, conf. II
601476.6220 12.7538 -4.2804 3 406.3780387 89503 303641945 631746 a-Alanine, conf. II
601477.2509 12.7525 -4.2804 3 406.3780387 89503 303642045 631846 a-Alanine, conf. II
601506.3785 88.2861 -4.0234 3 1258.5825693 89503 303B52491 B42490 a-Alanine, conf. II
601506.3785 88.2861 -4.0234 3 1258.5825693 89503 303B52591 B42590 a-Alanine, conf. II
601522.5216 68.7696 -3.9386 3 1200.2900657 89503 303A93377 A83376 a-Alanine, conf. II
601522.5220 68.7696 -3.9386 3 1200.2900657 89503 303A93277 A83276 a-Alanine, conf. II
601530.2445117.6220 -4.1982 3 1280.2432639 89503 303A65749 A55748 a-Alanine, conf. II
601530.2445117.6220 -4.1982 3 1280.2432639 89503 303A65750 A55749 a-Alanine, conf. II
601540.9723 6.5921 -4.3413 3 368.7062339 89503 303563521 553322 a-Alanine, conf. II
601540.9723 6.5921 -4.3413 3 368.7062339 89503 303563522 553323 a-Alanine, conf. II
601553.7555207.4222 -4.0777 3 1309.1600741 89503 303C313B0 C213A9 a-Alanine, conf. II
601553.7555207.4222 -4.0777 3 1309.1600741 89503 303C314B0 C214A9 a-Alanine, conf. II
601570.3589147.5747 -3.8343 3 1131.6920621 89503 303A34361 A24360 a-Alanine, conf. II
601606.4500 14.7166 -4.3064 3 650.0063453 89503 303754332 744233 a-Alanine, conf. II
601606.4500 14.7166 -4.3064 3 650.0063453 89503 303754333 744232 a-Alanine, conf. II
601758.5858125.5460 -4.0205 3 1210.8519633 89503 303A55056 A45055 a-Alanine, conf. II
601758.5933125.5464 -4.0205 3 1210.8519633 89503 303A55055 A45054 a-Alanine, conf. II
601760.2694 12.8755 -4.0798 3 609.3405405 89503 303675314 665215 a-Alanine, conf. II
601760.2694 12.8755 -4.0798 3 609.3405405 89503 303675315 665214 a-Alanine, conf. II
601857.1056 5.8426 -4.2938 3 385.7945351 89503 303583424 573225 a-Alanine, conf. II
601857.1058 5.8426 -4.2938 3 385.7945351 89503 303583425 573226 a-Alanine, conf. II
601909.8789340.6596 -4.0867 3 1322.6570759 89503 303C6 9B7 C5 9B6 a-Alanine, conf. II
601909.8789340.6596 -4.0867 3 1322.6570759 89503 303C610B7 C510B6 a-Alanine, conf. II
601916.8006101.9226 -4.0526 3 1281.9612711 89503 303B82098 B72097 a-Alanine, conf. II
601916.8006101.9226 -4.0526 3 1281.9612711 89503 303B82198 B72197 a-Alanine, conf. II
601949.7918 69.3726 -4.1958 3 508.7478423 89503 303702644 692445 a-Alanine, conf. II
602111.3232 11.1155 -4.1767 3 625.9268429 89503 303714823 704724 a-Alanine, conf. II
602111.3232 11.1155 -4.1767 3 625.9268429 89503 303714824 704723 a-Alanine, conf. II
602218.0263534.4081 -4.0887 3 1332.6065777 89503 303C9 5C4 C8 5C3 a-Alanine, conf. II
602218.0263534.4081 -4.0887 3 1332.6065777 89503 303C9 6C4 C8 6C3 a-Alanine, conf. II
602227.1531119.0115 -4.1753 3 1272.6354639 89503 303A65650 A55649 a-Alanine, conf. II
602227.1531119.0115 -4.1753 3 1272.6354639 89503 303A65651 A55650 a-Alanine, conf. II
602293.3964 6.4491 -4.1867 3 468.7993399 89503 303663135 652936 a-Alanine, conf. II
602339.4338 17.5303 -4.0227 3 603.5676387 89503 3036457 7 6356 8 a-Alanine, conf. II
602339.4338 17.5303 -4.0227 3 603.5676387 89503 3036457 8 6356 7 a-Alanine, conf. II
602346.8107145.5083 -4.0742 3 1301.7045729 89503 303C116A5 C016A4 a-Alanine, conf. II
602346.8107145.5083 -4.0742 3 1301.7045729 89503 303C117A5 C017A4 a-Alanine, conf. II
602359.7386 16.0857 -4.3432 3 658.6579459 89503 303764234 754135 a-Alanine, conf. II
602359.7386 16.0857 -4.3432 3 658.6579459 89503 303764235 754134 a-Alanine, conf. II
602388.0602 83.5199 -4.0039 3 1243.5930681 89503 303B32786 B22785 a-Alanine, conf. II
602388.0602 83.5199 -4.0039 3 1243.5930681 89503 303B32886 B22885 a-Alanine, conf. II
602461.4906 72.8762 -3.9593 3 1213.4802663 89503 303B03179 A93178 a-Alanine, conf. II
602461.4906 72.8762 -3.9593 3 1213.4802663 89503 303B03279 A93278 a-Alanine, conf. II
602499.0013797.0176 -4.0837 3 1339.0063795 89503 303D2 1D1 D1 1D0 a-Alanine, conf. II
602499.0013797.0176 -4.0837 3 1339.0063795 89503 303D2 2D1 D1 2D0 a-Alanine, conf. II
602649.5933 81.0263 -4.1637 3 624.4833465 89503 303773146 762947 a-Alanine, conf. II
602699.5969 91.3732 -4.0393 3 1269.7762699 89503 303B62393 B52392 a-Alanine, conf. II
602699.5969 91.3732 -4.0393 3 1269.7762699 89503 303B62493 B52492 a-Alanine, conf. II
602734.5441 6.4419 -4.1861 3 468.7839399 89503 303663136 652937 a-Alanine, conf. II
602740.1955238.3476 -4.0886 3 1317.8706747 89503 303C412B2 C312B1 a-Alanine, conf. II
602740.1955238.3476 -4.0886 3 1317.8706747 89503 303C413B2 C313B1 a-Alanine, conf. II
602806.8139112.1839 -3.6699 3 1056.9955603 89503 303A03961 993960 a-Alanine, conf. II
602819.2832 23.7963 -3.9772 3 601.9744369 89503 3036161 0 6060 1 a-Alanine, conf. II
602819.2832 23.7963 -3.9772 3 601.9744369 89503 3036161 1 6060 0 a-Alanine, conf. II
602821.5660183.3836 -3.8325 3 1131.7393621 89503 303A34360 A24359 a-Alanine, conf. II
602911.5841 31.8447 -4.2100 3 458.8213405 89503 303672344 662145 a-Alanine, conf. II
602972.4732 12.0873 -4.1012 3 614.6178411 89503 303685216 675117 a-Alanine, conf. II
602972.4732 12.0873 -4.1012 3 614.6178411 89503 303685217 675116 a-Alanine, conf. II
602974.1788 17.5520 -4.3832 3 667.7335465 89503 303774137 764036 a-Alanine, conf. II
602974.1790 17.5520 -4.3832 3 667.7335465 89503 303774136 764037 a-Alanine, conf. II
602978.1254120.6004 -4.1528 3 1265.2077639 89503 303A65551 A55550 a-Alanine, conf. II
602978.1254120.6004 -4.1528 3 1265.2077639 89503 303A65552 A55551 a-Alanine, conf. II
603001.1557129.3177 -4.0005 3 1204.5676633 89503 303A54957 A44956 a-Alanine, conf. II
603001.2229129.3210 -4.0005 3 1204.5676633 89503 303A54956 A44955 a-Alanine, conf. II
603019.4230 62.6444 -3.7851 3 1114.0733621 89503 303A33865 A23864 a-Alanine, conf. II
603081.8808387.4890 -4.0959 3 1330.4834765 89503 303C7 8B9 C6 8B8 a-Alanine, conf. II
603081.8808387.4890 -4.0959 3 1330.4834765 89503 303C7 9B9 C6 9B8 a-Alanine, conf. II
603121.6377110.3055 -4.0666 3 1292.2414717 89503 303B919A0 B81999 a-Alanine, conf. II
603121.6377110.3055 -4.0666 3 1292.2414717 89503 303B920A0 B82099 a-Alanine, conf. II
603143.9608 15.0570 -4.1670 3 518.4722423 89503 303703041 692842 a-Alanine, conf. II
603199.9633 11.6146 -4.2041 3 632.8255435 89503 303724725 714626 a-Alanine, conf. II
603199.9633 11.6146 -4.2041 3 632.8255435 89503 303724726 714625 a-Alanine, conf. II
603202.5188 31.0413 -4.2096 3 458.8216405 89503 303672444 662245 a-Alanine, conf. II
603360.2664 71.4916 -3.7950 3 1118.6100621 89503 303A34064 A24063 a-Alanine, conf. II
603380.6148599.3732 -4.0962 3 1339.5484783 89503 303D0 4C6 C9 4C5 a-Alanine, conf. II
603380.6148599.3732 -4.0962 3 1339.5484783 89503 303D0 5C6 C9 5C5 a-Alanine, conf. II
603425.6144145.1428 -3.8973 3 1161.6478627 89503 303A44560 A34559 a-Alanine, conf. II
603435.0590 39.7189 -4.2019 3 549.9442435 89503 303723141 712942 a-Alanine, conf. II
603473.3202 76.8451 -3.9793 3 1226.4053669 89503 303B13081 B03080 a-Alanine, conf. II
603473.3202 76.8451 -3.9793 3 1226.4053669 89503 303B13181 B03180 a-Alanine, conf. II
603478.9423 56.6727 -3.8774 3 1164.4996639 89503 303A63770 A53769 a-Alanine, conf. II
603495.8935 56.7200 -3.8774 3 1164.4985639 89503 303A63670 A53669 a-Alanine, conf. II
603511.0678148.2062 -3.8972 3 1161.6505627 89503 303A44559 A34558 a-Alanine, conf. II
603543.0470 86.4234 -4.0214 3 1255.5064687 89503 303B42688 B32687 a-Alanine, conf. II
603543.0470 86.4234 -4.0214 3 1255.5064687 89503 303B42788 B32787 a-Alanine, conf. II
603543.3210165.8532 -4.0864 3 1311.0902735 89503 303C215A7 C115A6 a-Alanine, conf. II
603543.3210165.8532 -4.0864 3 1311.0902735 89503 303C216A7 C116A6 a-Alanine, conf. II
603594.7180 16.1237 -4.0405 3 607.6361393 89503 3036556 9 645510 a-Alanine, conf. II
603594.7180 16.1237 -4.0405 3 607.6361393 89503 303655610 6455 9 a-Alanine, conf. II
603630.2290 53.7041 -3.8507 3 1149.6392633 89503 303A53868 A43867 a-Alanine, conf. II
603661.0668883.0092 -4.0894 3 1345.0620801 89503 303D3 0D3 D2 0D2 a-Alanine, conf. II
603661.0668883.0092 -4.0894 3 1345.0620801 89503 303D3 1D3 D2 1D2 a-Alanine, conf. II
603736.7462 60.0784 -3.9024 3 1178.9590645 89503 303A73672 A63671 a-Alanine, conf. II
603737.8887 60.0843 -3.9024 3 1178.9589645 89503 303A73572 A63571 a-Alanine, conf. II
603758.6906 5.7997 -4.2154 3 435.1830381 89503 303633231 623032 a-Alanine, conf. II
603763.4238 5.8027 -4.2153 3 435.1828381 89503 303633232 623033 a-Alanine, conf. II
603790.3577122.4288 -4.1308 3 1257.9638639 89503 303A65452 A55451 a-Alanine, conf. II
603790.3577122.4288 -4.1308 3 1257.9638639 89503 303A65453 A55452 a-Alanine, conf. II
603796.2082138.7533 -3.8172 3 1127.1238621 89503 303A34262 A24261 a-Alanine, conf. II
603833.9205 53.9902 -3.8504 3 1149.6252633 89503 303A53768 A43767 a-Alanine, conf. II
603871.6923 6.6333 -4.3380 3 386.2350381 89503 303631746 621547 a-Alanine, conf. II
603871.7038 6.6333 -4.3380 3 386.2350381 89503 303631846 621647 a-Alanine, conf. II
603898.0714 95.1636 -4.0547 3 1280.7489705 89503 303B72295 B62294 a-Alanine, conf. II
603898.0714 95.1636 -4.0547 3 1280.7489705 89503 303B72395 B62394 a-Alanine, conf. II
603922.0978273.4319 -4.0990 3 1326.3699753 89503 303C511B4 C411B3 a-Alanine, conf. II
603922.0978273.4319 -4.0990 3 1326.3699753 89503 303C512B4 C412B3 a-Alanine, conf. II
603943.4150117.9558 -4.3717 3 1349.4722645 89503 303A76344 A66343 a-Alanine, conf. II
603943.4150117.9558 -4.3717 3 1349.4722645 89503 303A76345 A66344 a-Alanine, conf. II
604069.5445 52.5988 -3.8223 3 1134.3255627 89503 303A43966 A33965 a-Alanine, conf. II
604097.2214 22.0251 -3.9920 3 604.8595375 89503 3036260 2 6159 3 a-Alanine, conf. II
604097.2214 22.0251 -3.9920 3 604.8595375 89503 3036260 3 6159 2 a-Alanine, conf. II
604166.0252 11.5525 -4.1237 3 620.2526417 89503 303695118 685019 a-Alanine, conf. II
604166.0252 11.5525 -4.1237 3 620.2526417 89503 303695119 685018 a-Alanine, conf. II
604242.2536 12.3806 -4.2331 3 640.1026441 89503 303734627 724528 a-Alanine, conf. II
604242.2536 12.3806 -4.2331 3 640.1026441 89503 303734628 724527 a-Alanine, conf. II
604250.4729439.0682 -4.1046 3 1338.0984771 89503 303C8 7C1 C7 7C0 a-Alanine, conf. II
604250.4729439.0682 -4.1046 3 1338.0984771 89503 303C8 8C1 C7 8C0 a-Alanine, conf. II
604278.8698 63.9080 -3.9259 3 1193.0668651 89503 303A83574 A73573 a-Alanine, conf. II
604278.9344 63.9085 -3.9259 3 1193.0668651 89503 303A83474 A73473 a-Alanine, conf. II
604324.6588121.3717 -4.0802 3 1302.3068723 89503 303C018A2 B918A1 a-Alanine, conf. II
604324.6588121.3717 -4.0802 3 1302.3068723 89503 303C019A2 B919A1 a-Alanine, conf. II
604398.6057133.9892 -3.9809 3 1198.5036633 89503 303A54858 A44857 a-Alanine, conf. II
604399.1574134.0144 -3.9809 3 1198.5036633 89503 303A54857 A44856 a-Alanine, conf. II
604429.8995118.7089 -4.3459 3 1340.8548645 89503 303A76245 A66244 a-Alanine, conf. II
604429.8995118.7089 -4.3459 3 1340.8548645 89503 303A76246 A66245 a-Alanine, conf. II
604443.2966 39.9639 -4.2025 3 475.2914411 89503 303682444 672245 a-Alanine, conf. II
604480.7316 51.6421 -4.1977 3 491.9376417 89503 303692544 682345 a-Alanine, conf. II
604538.5983 80.5819 -3.9986 3 1239.0760675 89503 303B22983 B12982 a-Alanine, conf. II
604538.5983 80.5819 -3.9986 3 1239.0760675 89503 303B23083 B13082 a-Alanine, conf. II
604542.0937669.8720 -4.1032 3 1346.2786789 89503 303D1 3C8 D0 3C7 a-Alanine, conf. II
604542.0937669.8720 -4.1032 3 1346.2786789 89503 303D1 4C8 D0 4C7 a-Alanine, conf. II
604672.6338124.5490 -4.1092 3 1250.9081639 89503 303A65354 A55353 a-Alanine, conf. II
604672.6339124.5490 -4.1092 3 1250.9081639 89503 303A65353 A55352 a-Alanine, conf. II
604714.5738 89.2129 -4.0384 3 1267.1896693 89503 303B52590 B42589 a-Alanine, conf. II
604714.5738 89.2129 -4.0384 3 1267.1896693 89503 303B52690 B42689 a-Alanine, conf. II
604719.0898108.5534 -3.8035 3 1122.8123621 89503 303A34163 A24162 a-Alanine, conf. II
604735.5467190.0096 -4.0982 3 1320.2639741 89503 303C314A9 C214A8 a-Alanine, conf. II
604735.5467190.0096 -4.0982 3 1320.2639741 89503 303C315A9 C215A8 a-Alanine, conf. II
604840.2584 14.8526 -4.0593 3 612.0528399 89503 303665511 655412 a-Alanine, conf. II
604840.2584 14.8526 -4.0593 3 612.0528399 89503 303665512 655411 a-Alanine, conf. II
604901.8245132.1003 -4.1922 3 606.6218459 89503 303763046 752847 a-Alanine, conf. II
604929.4328 7.2040 -4.1873 3 481.6884405 89503 303673136 662937 a-Alanine, conf. II
604946.7527119.5518 -4.3206 3 1332.4041645 89503 303A76146 A66145 a-Alanine, conf. II
604946.7527119.5518 -4.3206 3 1332.4041645 89503 303A76147 A66146 a-Alanine, conf. II
605010.1093 68.0314 -3.9484 3 1206.8573657 89503 303A93476 A83475 a-Alanine, conf. II
605010.1125 68.0314 -3.9484 3 1206.8573657 89503 303A93376 A83375 a-Alanine, conf. II
605099.2910100.1346 -4.0697 3 1291.5026711 89503 303B82197 B72196 a-Alanine, conf. II
605099.2910100.1346 -4.0697 3 1291.5026711 89503 303B82297 B72296 a-Alanine, conf. II
605099.6830312.8313 -4.1091 3 1334.6579759 89503 303C610B6 C510B5 a-Alanine, conf. II
605099.6830312.8313 -4.1091 3 1334.6579759 89503 303C611B6 C511B5 a-Alanine, conf. II
605222.6950114.4030 -4.2100 3 556.8063441 89503 303732845 722646 a-Alanine, conf. II
605227.1477 13.3762 -4.2638 3 647.7649447 89503 303744529 734430 a-Alanine, conf. II
605227.1477 13.3762 -4.2638 3 647.7649447 89503 303744530 734429 a-Alanine, conf. II
605337.0472 11.3058 -4.1475 3 626.2485423 89503 303705020 694921 a-Alanine, conf. II
605337.0472 11.3058 -4.1475 3 626.2485423 89503 303705021 694920 a-Alanine, conf. II
605359.5890 37.2816 -4.2013 3 475.2927411 89503 303682544 672345 a-Alanine, conf. II
605369.8104 20.3366 -4.0076 3 608.0867381 89503 3036359 4 6258 5 a-Alanine, conf. II
605369.8104 20.3366 -4.0076 3 608.0867381 89503 3036359 5 6258 4 a-Alanine, conf. II
605416.2330495.6076 -4.1130 3 1345.5021777 89503 303C9 6C3 C8 6C2 a-Alanine, conf. II
605416.2330495.6076 -4.1130 3 1345.5021777 89503 303C9 7C3 C8 7C2 a-Alanine, conf. II
605464.9648 16.5786 -4.2639 3 422.3395393 89503 303652045 641846 a-Alanine, conf. II
605467.6378 16.5726 -4.2639 3 422.3396393 89503 303652145 641946 a-Alanine, conf. II
605496.9058120.4974 -4.2958 3 1324.1218645 89503 303A76047 A66046 a-Alanine, conf. II
605496.9058120.4974 -4.2958 3 1324.1218645 89503 303A76048 A66047 a-Alanine, conf. II
605524.9280135.5641 -4.0933 3 1312.1583729 89503 303C117A4 C017A3 a-Alanine, conf. II
605524.9280135.5641 -4.0933 3 1312.1583729 89503 303C118A4 C018A3 a-Alanine, conf. II
605635.8583127.0304 -4.0881 3 1244.0455639 89503 303A65255 A55254 a-Alanine, conf. II
605635.8585127.0304 -4.0881 3 1244.0455639 89503 303A65254 A55253 a-Alanine, conf. II
605643.3481 84.0365 -4.0173 3 1251.5009681 89503 303B32885 B22884 a-Alanine, conf. II
605643.3481 84.0365 -4.0173 3 1251.5009681 89503 303B32985 B22984 a-Alanine, conf. II
605703.3138746.1603 -4.1099 3 1352.7970795 89503 303D2 2D0 D1 2C9 a-Alanine, conf. II
605703.3138746.1603 -4.1099 3 1352.7970795 89503 303D2 3D0 D1 3C9 a-Alanine, conf. II
605744.4315 39.5172 -4.1702 3 529.0729429 89503 303712943 702744 a-Alanine, conf. II
605758.7424153.1920 -3.8787 3 1156.5505627 89503 303A44461 A34460 a-Alanine, conf. II
605779.1733 7.5001 -4.3829 3 362.8959333 89503 303553619 543420 a-Alanine, conf. II
605779.1733 7.5001 -4.3829 3 362.8959333 89503 303553620 543421 a-Alanine, conf. II
605847.2886 6.8085 -4.1861 3 481.6563405 89503 303673137 662938 a-Alanine, conf. II
605871.6517 72.2757 -3.9700 3 1220.3546663 89503 303B03378 A93377 a-Alanine, conf. II
605871.6518 72.2757 -3.9700 3 1220.3546663 89503 303B03278 A93277 a-Alanine, conf. II
605886.6387 5.6529 -4.2479 3 415.4609369 89503 303613328 603129 a-Alanine, conf. II
605886.7054 5.6530 -4.2479 3 415.4609369 89503 303613329 603130 a-Alanine, conf. II
605897.7035 92.0907 -4.0549 3 1278.6466699 89503 303B62492 B52491 a-Alanine, conf. II
605897.7035 92.0907 -4.0549 3 1278.6466699 89503 303B62592 B52591 a-Alanine, conf. II
605902.7495 57.9881 -3.8191 3 1134.1879627 89503 303A43866 A33865 a-Alanine, conf. II
605923.3440218.1369 -4.1096 3 1329.2257747 89503 303C413B1 C313B0 a-Alanine, conf. II
605923.3440218.1369 -4.1096 3 1329.2257747 89503 303C414B1 C314B0 a-Alanine, conf. II
605991.3244139.8981 -3.9617 3 1192.6721633 89503 303A54759 A44758 a-Alanine, conf. II
605995.4612140.0743 -3.9616 3 1192.6723633 89503 303A54758 A44757 a-Alanine, conf. II
606074.1573 13.7456 -4.0791 3 616.8199405 89503 303675413 665314 a-Alanine, conf. II
606074.1573 13.7456 -4.0791 3 616.8199405 89503 303675414 665313 a-Alanine, conf. II
606083.7298121.5611 -4.2715 3 1316.0101645 89503 303A75948 A65947 a-Alanine, conf. II
606083.7298121.5611 -4.2715 3 1316.0101645 89503 303A75949 A65948 a-Alanine, conf. II
606140.3373 14.5628 -4.2967 3 655.8205453 89503 303754431 744332 a-Alanine, conf. II
606140.3373 14.5628 -4.2967 3 655.8205453 89503 303754432 744331 a-Alanine, conf. II
606233.2672168.6209 -3.8780 3 1156.5671627 89503 303A44460 A34459 a-Alanine, conf. II
606273.2811356.7157 -4.1188 3 1342.7346765 89503 303C7 9B8 C6 9B7 a-Alanine, conf. II
606273.2811356.7157 -4.1188 3 1342.7346765 89503 303C710B8 C610B7 a-Alanine, conf. II
606301.2928106.8316 -4.0843 3 1302.0390717 89503 303B92099 B82098 a-Alanine, conf. II
606301.2928106.8316 -4.0843 3 1302.0390717 89503 303B92199 B82198 a-Alanine, conf. II
606480.7659 11.3675 -4.1726 3 632.6092429 89503 303714922 704823 a-Alanine, conf. II
606480.7659 11.3675 -4.1726 3 632.6092429 89503 303714923 704822 a-Alanine, conf. II
606527.0613 6.5024 -4.3302 3 379.3668345 89503 303573522 563323 a-Alanine, conf. II
606527.0613 6.5024 -4.3302 3 379.3668345 89503 303573523 563324 a-Alanine, conf. II
606579.8206557.3311 -4.1210 3 1352.6944783 89503 303D0 5C5 C9 5C4 a-Alanine, conf. II
606579.8206557.3311 -4.1210 3 1352.6944783 89503 303D0 6C5 C9 6C4 a-Alanine, conf. II
606590.0142 29.6181 -4.2011 3 535.7383429 89503 303713140 702941 a-Alanine, conf. II
606636.0863 18.7410 -4.0241 3 611.6576387 89503 3036458 6 6357 7 a-Alanine, conf. II
606636.0863 18.7410 -4.0241 3 611.6576387 89503 3036458 7 6357 6 a-Alanine, conf. II
606653.1666 5.8620 -4.2858 3 396.8750357 89503 303593425 583226 a-Alanine, conf. II
606653.1672 5.8620 -4.2858 3 396.8750357 89503 303593426 583227 a-Alanine, conf. II
606693.8411129.9680 -4.0674 3 1237.3820639 89503 303A65156 A55155 a-Alanine, conf. II
606693.8430129.9681 -4.0674 3 1237.3820639 89503 303A65155 A55154 a-Alanine, conf. II
606711.1313122.7615 -4.2477 3 1308.0713645 89503 303A75849 A65848 a-Alanine, conf. II
606711.1313122.7615 -4.2477 3 1308.0713645 89503 303A75850 A65849 a-Alanine, conf. II
606721.7704153.2263 -4.1061 3 1321.7966735 89503 303C216A6 C116A5 a-Alanine, conf. II
606721.7704153.2263 -4.1061 3 1321.7966735 89503 303C217A6 C117A5 a-Alanine, conf. II
606777.2334 87.2096 -4.0354 3 1263.6866687 89503 303B42787 B32786 a-Alanine, conf. II
606777.2334 87.2096 -4.0354 3 1263.6866687 89503 303B42887 B32886 a-Alanine, conf. II
606825.9299 76.4811 -3.9907 3 1233.5761669 89503 303B13180 B03179 a-Alanine, conf. II
606825.9299 76.4811 -3.9907 3 1233.5761669 89503 303B13280 B03279 a-Alanine, conf. II
606865.1937828.5046 -4.1162 3 1359.1035801 89503 303D3 1D2 D2 1D1 a-Alanine, conf. II
606865.1937828.5046 -4.1162 3 1359.1035801 89503 303D3 2D2 D2 2D1 a-Alanine, conf. II
606962.9414 15.9042 -4.3318 3 664.2789459 89503 303764333 754234 a-Alanine, conf. II
606962.9414 15.9042 -4.3318 3 664.2789459 89503 303764334 754233 a-Alanine, conf. II
606970.1351 8.9954 -4.1891 3 494.8136411 89503 303683137 672938 a-Alanine, conf. II
607088.5871 95.3570 -4.0709 3 1289.8801705 89503 303B72394 B62393 a-Alanine, conf. II
607088.5871 95.3570 -4.0709 3 1289.8801705 89503 303B72494 B62493 a-Alanine, conf. II
607106.7184250.3817 -4.1206 3 1337.9758753 89503 303C512B3 C412B2 a-Alanine, conf. II
607106.7184250.3817 -4.1206 3 1337.9758753 89503 303C513B3 C413B2 a-Alanine, conf. II
607128.4859215.0195 -3.7107 3 1079.9346609 89503 303A14061 A04060 a-Alanine, conf. II
607132.6627 43.6391 -4.1947 3 491.9425417 89503 303692644 682445 a-Alanine, conf. II
607294.1179 12.8380 -4.0999 3 621.9400411 89503 303685315 675216 a-Alanine, conf. II
607294.1179 12.8380 -4.0999 3 621.9400411 89503 303685316 675215 a-Alanine, conf. II
607383.6773124.1218 -4.2244 3 1300.3081645 89503 303A75750 A65749 a-Alanine, conf. II
607383.6773124.1218 -4.2244 3 1300.3081645 89503 303A75751 A65750 a-Alanine, conf. II
607442.8476 59.8419 -3.7018 3 1077.1029609 89503 303A13962 A03961 a-Alanine, conf. II
607443.3225405.2705 -4.1281 3 1350.6000771 89503 303C8 8C0 C7 8B9 a-Alanine, conf. II
607443.3225405.2705 -4.1281 3 1350.6000771 89503 303C8 9C0 C7 9B9 a-Alanine, conf. II
607502.5548115.8179 -4.0984 3 1312.3594723 89503 303C019A1 B919A0 a-Alanine, conf. II
607502.5548115.8179 -4.0984 3 1312.3594723 89503 303C020A1 B920A0 a-Alanine, conf. II
607591.2645 11.7372 -4.1990 3 639.3394435 89503 303724824 714725 a-Alanine, conf. II
607591.2645 11.7372 -4.1990 3 639.3394435 89503 303724825 714724 a-Alanine, conf. II
607646.3039 59.6034 -3.9093 3 1184.6295645 89503 303A73771 A63770 a-Alanine, conf. II
607654.6641 59.6323 -3.9092 3 1184.6290645 89503 303A73671 A63670 a-Alanine, conf. II
607669.4547 17.3660 -4.3697 3 673.1519465 89503 303774235 764136 a-Alanine, conf. II
607669.4547 17.3660 -4.3697 3 673.1519465 89503 303774236 764135 a-Alanine, conf. II
607688.4991 56.4339 -3.8828 3 1169.7741639 89503 303A63869 A53868 a-Alanine, conf. II
607741.9717624.4753 -4.1286 3 1359.6750789 89503 303D1 4C7 D0 4C6 a-Alanine, conf. II
607741.9717624.4753 -4.1286 3 1359.6750789 89503 303D1 5C7 D0 5C6 a-Alanine, conf. II
607742.6812 6.0629 -4.2129 3 447.3545387 89503 303643232 633033 a-Alanine, conf. II
607754.2450 6.0709 -4.2129 3 447.3541387 89503 303643233 633034 a-Alanine, conf. II
607795.0446 56.6083 -3.8826 3 1169.7669639 89503 303A63769 A53768 a-Alanine, conf. II
607834.4527147.4143 -3.9426 3 1187.0893633 89503 303A54660 A44659 a-Alanine, conf. II
607847.6435 80.5209 -4.0108 3 1246.5350675 89503 303B23082 B13081 a-Alanine, conf. II
607847.6435 80.5209 -4.0108 3 1246.5350675 89503 303B23182 B13181 a-Alanine, conf. II
607862.4712148.5220 -3.9426 3 1187.0902633 89503 303A54659 A44658 a-Alanine, conf. II
607864.4997133.4952 -4.0472 3 1230.9244639 89503 303A65057 A55056 a-Alanine, conf. II
607864.5176133.4962 -4.0472 3 1230.9244639 89503 303A65056 A55055 a-Alanine, conf. II
607894.8882 17.2529 -4.0414 3 615.5737393 89503 3036557 8 6456 9 a-Alanine, conf. II
607894.8882 17.2529 -4.0414 3 615.5737393 89503 3036557 9 6456 8 a-Alanine, conf. II
607914.7322174.6128 -4.1184 3 1331.2223741 89503 303C315A8 C215A7 a-Alanine, conf. II
607914.7322174.6128 -4.1184 3 1331.2223741 89503 303C316A8 C216A7 a-Alanine, conf. II
607932.4530 90.1624 -4.0531 3 1275.6384693 89503 303B52689 B42688 a-Alanine, conf. II
607932.4530 90.1624 -4.0531 3 1275.6384693 89503 303B52789 B42788 a-Alanine, conf. II
607983.2223 63.2211 -3.9341 3 1199.0975651 89503 303A83673 A73672 a-Alanine, conf. II
607983.7603 63.2243 -3.9341 3 1199.0975651 89503 303A83573 A73572 a-Alanine, conf. II
608004.3939 64.6555 -3.8259 3 1138.7360627 89503 303A44065 A34064 a-Alanine, conf. II
608028.7175917.1829 -4.1220 3 1365.1980807 89503 303D4 0D4 D3 0D3 a-Alanine, conf. II
608028.7175917.1829 -4.1220 3 1365.1980807 89503 303D4 1D4 D3 1D3 a-Alanine, conf. II
608106.7596125.6706 -4.2016 3 1292.7235645 89503 303A75651 A65650 a-Alanine, conf. II
608106.7596125.6706 -4.2016 3 1292.7235645 89503 303A75652 A65651 a-Alanine, conf. II
608123.3368 54.1929 -3.8544 3 1154.4751633 89503 303A53967 A43966 a-Alanine, conf. II
608126.9792 21.8944 -4.1734 3 532.2160429 89503 303713042 702843 a-Alanine, conf. II
608139.7979 19.8359 -4.1967 3 521.8225423 89503 303703139 692940 a-Alanine, conf. II
608155.0358 12.8984 -4.1923 3 508.1865417 89503 303693138 682939 a-Alanine, conf. II
608214.0405266.7369 -3.7599 3 1103.3656615 89503 303A24161 A14160 a-Alanine, conf. II
608229.4848154.3837 -3.8606 3 1151.7582627 89503 303A44362 A34361 a-Alanine, conf. II
608284.2108 99.4157 -4.0865 3 1300.8928711 89503 303B82296 B72295 a-Alanine, conf. II
608284.2108 99.4157 -4.0865 3 1300.8928711 89503 303B82396 B72395 a-Alanine, conf. II
608285.8081286.8930 -4.1313 3 1346.5145759 89503 303C611B5 C511B4 a-Alanine, conf. II
608285.8081286.8930 -4.1313 3 1346.5145759 89503 303C612B5 C512B4 a-Alanine, conf. II
608387.4518 23.4399 -3.9949 3 613.3978375 89503 3036261 1 6160 2 a-Alanine, conf. II
608387.4518 23.4399 -3.9949 3 613.3978375 89503 3036261 2 6160 1 a-Alanine, conf. II
608471.3889 9.5174 -4.3161 3 402.0431387 89503 303641846 631647 a-Alanine, conf. II
608471.4458 9.5173 -4.3161 3 402.0431387 89503 303641946 631747 a-Alanine, conf. II
608497.3518 12.1696 -4.1218 3 627.4157417 89503 303695217 685118 a-Alanine, conf. II
608497.3518 12.1696 -4.1218 3 627.4157417 89503 303695218 685117 a-Alanine, conf. II
608575.2973 67.2498 -3.9576 3 1213.2234657 89503 303A93575 A83574 a-Alanine, conf. II
608575.3266 67.2501 -3.9576 3 1213.2234657 89503 303A93475 A83474 a-Alanine, conf. II
608610.3297458.6958 -4.1370 3 1358.2541777 89503 303C9 7C2 C8 7C1 a-Alanine, conf. II
608610.3297458.6958 -4.1370 3 1358.2541777 89503 303C9 8C2 C8 8C1 a-Alanine, conf. II
608661.1459 12.3941 -4.2270 3 646.4443441 89503 303734726 724627 a-Alanine, conf. II
608661.1459 12.3941 -4.2270 3 646.4443441 89503 303734727 724626 a-Alanine, conf. II
608701.9156127.6156 -4.1121 3 1322.4649729 89503 303C118A3 C018A2 a-Alanine, conf. II
608701.9156127.6156 -4.1121 3 1322.4649729 89503 303C119A3 C019A2 a-Alanine, conf. II
608748.9297251.5637 -3.8096 3 1127.3517621 89503 303A34261 A24260 a-Alanine, conf. II
608810.9774 7.2313 -4.1868 3 494.7489411 89503 303683138 672939 a-Alanine, conf. II
608851.3719 48.9501 -4.1896 3 508.7638423 89503 303702744 692545 a-Alanine, conf. II
608886.8155127.4443 -4.1793 3 1285.3209645 89503 303A75552 A65551 a-Alanine, conf. II
608886.8155127.4443 -4.1793 3 1285.3209645 89503 303A75553 A65552 a-Alanine, conf. II
608903.4959697.2887 -4.1358 3 1366.4439795 89503 303D2 3C9 D1 3C8 a-Alanine, conf. II
608903.4959697.2887 -4.1358 3 1366.4439795 89503 303D2 4C9 D1 4C8 a-Alanine, conf. II
608919.0115 84.3082 -4.0302 3 1259.2412681 89503 303B32984 B22983 a-Alanine, conf. II
608919.0115 84.3082 -4.0302 3 1259.2412681 89503 303B33084 B23083 a-Alanine, conf. II
609103.0270 93.0294 -4.0702 3 1287.3607699 89503 303B62591 B52590 a-Alanine, conf. II
609103.0270 93.0294 -4.0702 3 1287.3607699 89503 303B62691 B52690 a-Alanine, conf. II
609103.5498199.9161 -4.1304 3 1340.4357747 89503 303C414B0 C314A9 a-Alanine, conf. II
609103.5498199.9161 -4.1304 3 1340.4357747 89503 303C415B0 C315A9 a-Alanine, conf. II
609117.9166 21.0155 -4.2501 3 438.5033399 89503 303662145 651946 a-Alanine, conf. II
609128.5951 20.9886 -4.2500 3 438.5033399 89503 303662245 652046 a-Alanine, conf. II
609144.8175 15.8919 -4.0597 3 619.8370399 89503 303665610 655511 a-Alanine, conf. II
609144.8175 15.8919 -4.0597 3 619.8370399 89503 303665611 655510 a-Alanine, conf. II
609171.7582137.8062 -4.0273 3 1224.6816639 89503 303A64958 A54957 a-Alanine, conf. II
609171.9131137.8139 -4.0273 3 1224.6816639 89503 303A64957 A54956 a-Alanine, conf. II
609172.0823 56.5935 -3.8527 3 1154.3986633 89503 303A53867 A43866 a-Alanine, conf. II
609338.5700 71.5378 -3.9801 3 1227.0383663 89503 303B03477 A93476 a-Alanine, conf. II
609338.5714 71.5378 -3.9801 3 1227.0383663 89503 303B03377 A93376 a-Alanine, conf. II
609460.8696327.8305 -4.1415 3 1354.8418765 89503 303C710B7 C610B6 a-Alanine, conf. II
609460.8696327.8305 -4.1415 3 1354.8418765 89503 303C711B7 C611B6 a-Alanine, conf. II
609482.2130104.7652 -4.1017 3 1311.6866717 89503 303B92198 B82197 a-Alanine, conf. II
609482.2130104.7652 -4.1017 3 1311.6866717 89503 303B92298 B82297 a-Alanine, conf. II
609662.0660 21.6803 -4.0101 3 616.4750381 89503 3036360 3 6259 4 a-Alanine, conf. II
609662.0660 21.6803 -4.0101 3 616.4750381 89503 3036360 4 6259 3 a-Alanine, conf. II
609680.4616 11.7788 -4.1448 3 633.2503423 89503 303705119 695020 a-Alanine, conf. II
609680.4616 11.7788 -4.1448 3 633.2503423 89503 303705120 695019 a-Alanine, conf. II
609681.0631 13.3041 -4.2566 3 653.9300447 89503 303744628 734529 a-Alanine, conf. II
609681.0631 13.3041 -4.2566 3 653.9300447 89503 303744629 734528 a-Alanine, conf. II
609731.6314129.4896 -4.1575 3 1278.1041645 89503 303A75453 A65452 a-Alanine, conf. II
609731.6314129.4896 -4.1575 3 1278.1041645 89503 303A75454 A65453 a-Alanine, conf. II
609774.9114517.2060 -4.1456 3 1365.6966783 89503 303D0 6C4 C9 6C3 a-Alanine, conf. II
609774.9114517.2060 -4.1456 3 1365.6966783 89503 303D0 7C4 C9 7C3 a-Alanine, conf. II
609898.5123142.6614 -4.1254 3 1332.3565735 89503 303C217A5 C117A4 a-Alanine, conf. II
609898.5123142.6614 -4.1254 3 1332.3565735 89503 303C218A5 C118A4 a-Alanine, conf. II
609986.8269156.3036 -3.9239 3 1181.7760633 89503 303A54561 A44560 a-Alanine, conf. II
610027.1257 87.8022 -4.0491 3 1271.7030687 89503 303B42886 B32885 a-Alanine, conf. II
610027.1257 87.8022 -4.0491 3 1271.7030687 89503 303B42986 B32985 a-Alanine, conf. II
610065.2727776.0318 -4.1426 3 1373.0011801 89503 303D3 2D1 D2 2D0 a-Alanine, conf. II
610065.2727776.0318 -4.1426 3 1373.0011801 89503 303D3 3D1 D2 3D0 a-Alanine, conf. II
610121.1547136.5340 -3.8445 3 1147.2643627 89503 303A44263 A34262 a-Alanine, conf. II
610155.6634162.4327 -3.9236 3 1181.7815633 89503 303A54560 A44559 a-Alanine, conf. II
610183.3173 4.2840 -4.3789 3 381.6896381 89503 303631647 621448 a-Alanine, conf. II
610183.3181 4.2840 -4.3789 3 381.6896381 89503 303631747 621548 a-Alanine, conf. II
610186.2548124.9402 -4.3718 3 1361.0164651 89503 303A86246 A76245 a-Alanine, conf. II
610186.2548124.9402 -4.3718 3 1361.0164651 89503 303A86247 A76246 a-Alanine, conf. II
610221.0613 75.9095 -4.0017 3 1240.5643669 89503 303B13379 B03378 a-Alanine, conf. II
610221.0614 75.9095 -4.0017 3 1240.5643669 89503 303B13279 B03278 a-Alanine, conf. II
610249.7231 98.6805 -3.8326 3 1142.9836627 89503 303A44164 A34163 a-Alanine, conf. II
610284.3203 96.0329 -4.0868 3 1298.8571705 89503 303B72493 B62492 a-Alanine, conf. II
610284.3203 96.0329 -4.0868 3 1298.8571705 89503 303B72593 B62592 a-Alanine, conf. II
610288.1249229.2952 -4.1419 3 1349.4371753 89503 303C513B2 C413B1 a-Alanine, conf. II
610288.1249229.2952 -4.1419 3 1349.4371753 89503 303C514B2 C414B1 a-Alanine, conf. II
610327.0489 5.8432 -4.2434 3 427.1785375 89503 303623329 613130 a-Alanine, conf. II
610327.2321 5.8433 -4.2434 3 427.1785375 89503 303623330 613131 a-Alanine, conf. II
610384.1884 14.6839 -4.0789 3 624.4493405 89503 303675512 665413 a-Alanine, conf. II
610384.1884 14.6839 -4.0789 3 624.4493405 89503 303675513 665412 a-Alanine, conf. II
610436.5235216.4503 -3.8574 3 1151.8473627 89503 303A44361 A34360 a-Alanine, conf. II
610575.5044 49.0604 -3.7377 3 1097.3650615 89503 303A23963 A13962 a-Alanine, conf. II
610632.2675373.3679 -4.1513 3 1362.9577771 89503 303C8 9B9 C7 9B8 a-Alanine, conf. II
610632.2675373.3679 -4.1513 3 1362.9577771 89503 303C810B9 C710B8 a-Alanine, conf. II
610639.0516 14.4285 -4.2882 3 661.8036453 89503 303754530 744431 a-Alanine, conf. II
610639.0516 14.4285 -4.2882 3 661.8036453 89503 303754531 744430 a-Alanine, conf. II
610648.5540143.1872 -4.0079 3 1218.6641639 89503 303A64859 A54858 a-Alanine, conf. II
610649.7795143.2443 -4.0078 3 1218.6642639 89503 303A64858 A54857 a-Alanine, conf. II
610650.7696131.8676 -4.1361 3 1271.0778645 89503 303A75354 A65353 a-Alanine, conf. II
610650.7696131.8676 -4.1361 3 1271.0778645 89503 303A75355 A65354 a-Alanine, conf. II
610680.7514111.9661 -4.1164 3 1322.2630723 89503 303C020A0 B92099 a-Alanine, conf. II
610680.7514111.9661 -4.1164 3 1322.2630723 89503 303C021A0 B92199 a-Alanine, conf. II
610720.5427125.8766 -4.3467 3 1352.5829651 89503 303A86147 A76146 a-Alanine, conf. II
610720.5427125.8766 -4.3467 3 1352.5829651 89503 303A86148 A76147 a-Alanine, conf. II
610839.2872 11.6939 -4.1691 3 639.4474429 89503 303715021 704922 a-Alanine, conf. II
610839.2872 11.6939 -4.1691 3 639.4474429 89503 303715022 704921 a-Alanine, conf. II
610869.6501 7.3562 -4.3697 3 373.3424339 89503 303563620 553421 a-Alanine, conf. II
610869.6501 7.3562 -4.3697 3 373.3424339 89503 303563621 553422 a-Alanine, conf. II
610930.8557 20.0102 -4.0261 3 619.8951387 89503 3036459 5 6358 6 a-Alanine, conf. II
610930.8557 20.0102 -4.0261 3 619.8951387 89503 3036459 6 6358 5 a-Alanine, conf. II
610937.7569581.0294 -4.1537 3 1372.9277789 89503 303D1 5C6 D0 5C5 a-Alanine, conf. II
610937.7569581.0294 -4.1537 3 1372.9277789 89503 303D1 6C6 D0 6C5 a-Alanine, conf. II
611091.7329161.2914 -4.1384 3 1342.0347741 89503 303C316A7 C216A6 a-Alanine, conf. II
611091.7329161.2914 -4.1384 3 1342.0347741 89503 303C317A7 C217A6 a-Alanine, conf. II
611162.3808 91.0152 -4.0673 3 1283.9265693 89503 303B52788 B42787 a-Alanine, conf. II
611162.3808 91.0152 -4.0673 3 1283.9265693 89503 303B52888 B42887 a-Alanine, conf. II
611185.1867 51.3688 -4.1868 3 525.7511429 89503 303712844 702645 a-Alanine, conf. II
611189.0584 80.2089 -4.0226 3 1253.8177675 89503 303B23181 B13180 a-Alanine, conf. II
611189.0584 80.2089 -4.0226 3 1253.8177675 89503 303B23281 B13280 a-Alanine, conf. II
611228.2493860.9760 -4.1490 3 1379.3463807 89503 303D4 1D3 D3 1D2 a-Alanine, conf. II
611228.2493860.9760 -4.1490 3 1379.3463807 89503 303D4 2D3 D3 2D2 a-Alanine, conf. II
611289.5776126.9268 -4.3221 3 1344.3190651 89503 303A86048 A76047 a-Alanine, conf. II
611289.5776126.9268 -4.3221 3 1344.3190651 89503 303A86049 A76048 a-Alanine, conf. II
611387.3177 5.9235 -4.2789 3 408.1574363 89503 303603426 593227 a-Alanine, conf. II
611387.3195 5.9235 -4.2789 3 408.1574363 89503 303603427 593228 a-Alanine, conf. II
611466.8105 6.4420 -4.3204 3 390.2266351 89503 303583523 573324 a-Alanine, conf. II
611466.8105 6.4420 -4.3204 3 390.2266351 89503 303583524 573325 a-Alanine, conf. II
611468.5043262.8985 -4.1531 3 1358.2267759 89503 303C612B4 C512B3 a-Alanine, conf. II
611468.5043262.8985 -4.1531 3 1358.2267759 89503 303C613B4 C513B3 a-Alanine, conf. II
611472.7139 99.4957 -4.1030 3 1310.1304711 89503 303B82395 B72394 a-Alanine, conf. II
611472.7139 99.4957 -4.1030 3 1310.1304711 89503 303B82495 B72494 a-Alanine, conf. II
611519.5491 15.7297 -4.3218 3 670.0737459 89503 303764432 754333 a-Alanine, conf. II
611519.5491 15.7297 -4.3218 3 670.0737459 89503 303764433 754332 a-Alanine, conf. II
611570.7220 6.3396 -4.2114 3 459.7387393 89503 303653233 643034 a-Alanine, conf. II
611598.1702 6.3587 -4.2114 3 459.7377393 89503 303653234 643035 a-Alanine, conf. II
611610.9660 13.6620 -4.0992 3 629.4130411 89503 303685414 675315 a-Alanine, conf. II
611610.9660 13.6620 -4.0992 3 629.4130411 89503 303685415 675314 a-Alanine, conf. II
611656.1861134.6604 -4.1151 3 1264.2474645 89503 303A75256 A65255 a-Alanine, conf. II
611656.1866134.6604 -4.1151 3 1264.2474645 89503 303A75255 A65254 a-Alanine, conf. II
611697.3009 7.7704 -4.1883 3 508.0610417 89503 303693139 682940 a-Alanine, conf. II
611771.1326 59.3005 -3.9151 3 1190.0444645 89503 303A73870 A63869 a-Alanine, conf. II
611800.4650423.6944 -4.1608 3 1370.8621777 89503 303C9 8C1 C8 8C0 a-Alanine, conf. II
611800.4650423.6944 -4.1608 3 1370.8621777 89503 303C9 9C1 C8 9C0 a-Alanine, conf. II
611825.9376 59.4124 -3.9151 3 1190.0408645 89503 303A73770 A63769 a-Alanine, conf. II
611833.4120 62.6721 -3.9414 3 1204.8984651 89503 303A83772 A73771 a-Alanine, conf. II
611837.4850 62.6893 -3.9414 3 1204.8982651 89503 303A83672 A73671 a-Alanine, conf. II
611878.4031121.5875 -4.1306 3 1332.6235729 89503 303C119A2 C019A1 a-Alanine, conf. II
611878.4031121.5875 -4.1306 3 1332.6235729 89503 303C120A2 C020A1 a-Alanine, conf. II
611896.9391128.1084 -4.2980 3 1336.2269651 89503 303A85949 A75948 a-Alanine, conf. II
611896.9391128.1084 -4.2980 3 1336.2269651 89503 303A85950 A75949 a-Alanine, conf. II
611968.7039 11.9250 -4.1948 3 646.0111435 89503 303724923 714824 a-Alanine, conf. II
611968.7039 11.9250 -4.1948 3 646.0111435 89503 303724924 714823 a-Alanine, conf. II
612099.6319650.4070 -4.1614 3 1379.9471795 89503 303D2 4C8 D1 4C7 a-Alanine, conf. II
612099.6319650.4070 -4.1614 3 1379.9471795 89503 303D2 5C8 D1 5C7 a-Alanine, conf. II
612139.7489 56.5040 -3.8870 3 1174.7599639 89503 303A63968 A53967 a-Alanine, conf. II
612192.7830 18.4423 -4.0429 3 623.6594393 89503 3036558 7 6457 8 a-Alanine, conf. II
612192.7830 18.4423 -4.0429 3 623.6594393 89503 3036558 8 6457 7 a-Alanine, conf. II
612219.5585 84.3158 -4.0427 3 1266.8106681 89503 303B33083 B23082 a-Alanine, conf. II
612219.5585 84.3158 -4.0427 3 1266.8106681 89503 303B33183 B23182 a-Alanine, conf. II
612240.5578 66.5071 -3.9661 3 1219.3776657 89503 303A93674 A83673 a-Alanine, conf. II
612240.8087 66.5088 -3.9661 3 1219.3776657 89503 303A93574 A83573 a-Alanine, conf. II
612281.1788183.7548 -4.1509 3 1351.5001747 89503 303C415A9 C315A8 a-Alanine, conf. II
612281.1788183.7548 -4.1509 3 1351.5001747 89503 303C416A9 C316A8 a-Alanine, conf. II
612301.9072 17.1730 -4.3579 3 678.7505465 89503 303774334 764235 a-Alanine, conf. II
612301.9072 17.1730 -4.3579 3 678.7505465 89503 303774335 764234 a-Alanine, conf. II
612317.4920 94.0223 -4.0851 3 1295.9168699 89503 303B62690 B52689 a-Alanine, conf. II
612317.4920 94.0223 -4.0851 3 1295.9168699 89503 303B62790 B52789 a-Alanine, conf. II
612340.9256150.0294 -3.9887 3 1212.8858639 89503 303A64760 A54759 a-Alanine, conf. II
612349.7429150.4120 -3.9886 3 1212.8861639 89503 303A64759 A54758 a-Alanine, conf. II
612368.3414 26.1954 -4.2386 3 454.8650405 89503 303672245 662046 a-Alanine, conf. II
612392.0540 60.6736 -3.8578 3 1159.0168633 89503 303A54066 A44065 a-Alanine, conf. II
612393.4383952.4040 -4.1550 3 1385.4797813 89503 303D5 0D5 D4 0D4 a-Alanine, conf. II
612393.4383952.4040 -4.1550 3 1385.4797813 89503 303D5 1D5 D4 1D4 a-Alanine, conf. II
612408.4040 26.0843 -4.2386 3 454.8650405 89503 303672345 662146 a-Alanine, conf. II
612429.9728163.3132 -3.9053 3 1176.7564633 89503 303A54462 A44461 a-Alanine, conf. II
612546.7882129.4427 -4.2744 3 1328.3090651 89503 303A85850 A75849 a-Alanine, conf. II
612546.7882129.4427 -4.2744 3 1328.3090651 89503 303A85851 A75850 a-Alanine, conf. II
612644.8646300.8780 -4.1639 3 1366.8048765 89503 303C711B6 C611B5 a-Alanine, conf. II
612644.8646300.8780 -4.1639 3 1366.8048765 89503 303C712B6 C612B5 a-Alanine, conf. II
612665.3724103.8452 -4.1187 3 1321.1830717 89503 303B92297 B82296 a-Alanine, conf. II
612665.3724103.8452 -4.1187 3 1321.1830717 89503 303B92397 B82396 a-Alanine, conf. II
612676.4259 24.9122 -3.9982 3 622.0823375 89503 3036262 0 6161 1 a-Alanine, conf. II
612676.4259 24.9122 -3.9982 3 622.0823375 89503 3036262 1 6161 0 a-Alanine, conf. II
612722.4101 57.5498 -3.8860 3 1174.7184639 89503 303A63868 A53867 a-Alanine, conf. II
612731.5345 71.9394 -3.7756 3 1117.7316621 89503 303A33964 A23963 a-Alanine, conf. II
612763.1541137.9814 -4.0946 3 1257.6191645 89503 303A75157 A65156 a-Alanine, conf. II
612763.1588137.9816 -4.0946 3 1257.6191645 89503 303A75156 A65155 a-Alanine, conf. II
612822.6888 12.8645 -4.1205 3 634.7308417 89503 303695316 685217 a-Alanine, conf. II
612822.6888 12.8645 -4.1205 3 634.7308417 89503 303695317 685216 a-Alanine, conf. II
612834.2930 12.9326 -4.2974 3 418.0613393 89503 303651946 641747 a-Alanine, conf. II
612834.5573 12.9320 -4.2974 3 418.0613393 89503 303652046 641847 a-Alanine, conf. II
612877.0013 70.7318 -3.9897 3 1233.5233663 89503 303B03576 A93575 a-Alanine, conf. II
612877.0144 70.7319 -3.9897 3 1233.5233663 89503 303B03476 A93475 a-Alanine, conf. II
612966.0161479.0142 -4.1698 3 1378.5551783 89503 303D0 7C3 C9 7C2 a-Alanine, conf. II
612966.0161479.0142 -4.1698 3 1378.5551783 89503 303D0 8C3 C9 8C2 a-Alanine, conf. II
613028.1700 13.0006 -4.1946 3 642.3439471 89503 303783246 773047 a-Alanine, conf. II
613062.3505 12.4604 -4.2218 3 652.9461441 89503 303734825 724726 a-Alanine, conf. II
613062.3505 12.4604 -4.2218 3 652.9461441 89503 303734826 724725 a-Alanine, conf. II
613074.0894134.1498 -4.1445 3 1342.7691735 89503 303C218A4 C118A3 a-Alanine, conf. II
613074.0894134.1498 -4.1445 3 1342.7691735 89503 303C219A4 C119A3 a-Alanine, conf. II
613172.0117 88.8928 -4.2161 3 539.4264435 89503 303722745 712546 a-Alanine, conf. II
613244.0070130.9561 -4.2513 3 1320.5683651 89503 303A85751 A75750 a-Alanine, conf. II
613244.0070130.9561 -4.2513 3 1320.5683651 89503 303A85752 A75751 a-Alanine, conf. II
613261.3750725.5918 -4.1687 3 1386.7548801 89503 303D3 3D0 D2 3C9 a-Alanine, conf. II
613261.3750725.5918 -4.1687 3 1386.7548801 89503 303D3 4D0 D2 4C9 a-Alanine, conf. II
613296.2341 88.1515 -4.0623 3 1279.5526687 89503 303B42985 B32984 a-Alanine, conf. II
613296.2341 88.1515 -4.0623 3 1279.5526687 89503 303B43085 B33084 a-Alanine, conf. II
613310.7239191.9824 -3.9041 3 1176.7889633 89503 303A54461 A44460 a-Alanine, conf. II
613446.5998 16.9942 -4.0607 3 627.7698399 89503 3036657 9 655610 a-Alanine, conf. II
613446.5998 16.9942 -4.0607 3 627.7698399 89503 303665710 6556 9 a-Alanine, conf. II
613466.6356210.2414 -4.1630 3 1360.7532753 89503 303C514B1 C414B0 a-Alanine, conf. II
613466.6356210.2414 -4.1630 3 1360.7532753 89503 303C515B1 C415B0 a-Alanine, conf. II
613486.8561 96.9756 -4.1023 3 1307.6782705 89503 303B72592 B62591 a-Alanine, conf. II
613486.8561 96.9756 -4.1023 3 1307.6782705 89503 303B72692 B62691 a-Alanine, conf. II
613620.8072 38.8555 -4.2104 3 626.7991465 89503 303773245 763046 a-Alanine, conf. II
613668.9338 75.1790 -4.0122 3 1247.3637669 89503 303B13478 B03477 a-Alanine, conf. II
613668.9344 75.1790 -4.0122 3 1247.3637669 89503 303B13378 B03377 a-Alanine, conf. II
613817.4984343.3968 -4.1742 3 1375.1713771 89503 303C810B8 C710B7 a-Alanine, conf. II
613817.4984343.3968 -4.1742 3 1375.1713771 89503 303C811B8 C711B7 a-Alanine, conf. II
613860.0762109.6004 -4.1340 3 1332.0167723 89503 303C02199 B92198 a-Alanine, conf. II
613860.0762109.6004 -4.1340 3 1332.0167723 89503 303C02299 B92298 a-Alanine, conf. II
613952.8656 23.0818 -4.0130 3 625.0100381 89503 3036361 2 6260 3 a-Alanine, conf. II
613952.8656 23.0818 -4.0130 3 625.0100381 89503 3036361 3 6260 2 a-Alanine, conf. II
613991.6966141.9921 -4.0745 3 1251.2006645 89503 303A75058 A65057 a-Alanine, conf. II
613991.7389141.9944 -4.0745 3 1251.2006645 89503 303A75057 A65056 a-Alanine, conf. II
613994.3825132.6815 -4.2286 3 1313.0078651 89503 303A85652 A75651 a-Alanine, conf. II
613994.3825132.6815 -4.2286 3 1313.0078651 89503 303A85653 A75652 a-Alanine, conf. II
614016.3692 12.3319 -4.1429 3 640.4054423 89503 303705218 695119 a-Alanine, conf. II
614016.3692 12.3319 -4.1429 3 640.4054423 89503 303705219 695118 a-Alanine, conf. II
614112.2584 13.2714 -4.2504 3 660.2580447 89503 303744727 734628 a-Alanine, conf. II
614112.2584 13.2714 -4.2504 3 660.2580447 89503 303744728 734627 a-Alanine, conf. II
614129.5603539.5461 -4.1785 3 1386.0365789 89503 303D1 6C5 D0 6C4 a-Alanine, conf. II
614129.5603539.5461 -4.1785 3 1386.0365789 89503 303D1 7C5 D0 7C4 a-Alanine, conf. II
614228.4138 30.9284 -4.1833 3 546.1380435 89503 303723043 712844 a-Alanine, conf. II
614248.8331137.3829 -4.2278 3 588.7619453 89503 303752946 742747 a-Alanine, conf. II
614267.0180150.0828 -4.1580 3 1352.7005741 89503 303C317A6 C217A5 a-Alanine, conf. II
614267.0180150.0828 -4.1580 3 1352.7005741 89503 303C318A6 C218A5 a-Alanine, conf. II
614308.7971158.6222 -3.9697 3 1207.3645639 89503 303A64661 A54660 a-Alanine, conf. II
614365.8447160.9128 -3.9696 3 1207.3663639 89503 303A64660 A54659 a-Alanine, conf. II
614407.1420 91.6848 -4.0812 3 1292.0513693 89503 303B52887 B42886 a-Alanine, conf. II
614407.1420 91.6848 -4.0812 3 1292.0513693 89503 303B52987 B42986 a-Alanine, conf. II
614423.8945806.8488 -4.1756 3 1393.3507807 89503 303D4 2D2 D3 2D1 a-Alanine, conf. II
614423.8945806.8488 -4.1756 3 1393.3507807 89503 303D4 3D2 D3 3D1 a-Alanine, conf. II
614451.2803167.6610 -3.7356 3 1100.1863615 89503 303A24062 A14061 a-Alanine, conf. II
614570.2243 79.6725 -4.0339 3 1260.9191675 89503 303B23280 B13279 a-Alanine, conf. II
614570.2243 79.6725 -4.0339 3 1260.9191675 89503 303B23380 B13379 a-Alanine, conf. II
614590.5264 81.3895 -3.8133 3 1138.1702627 89503 303A43965 A33964 a-Alanine, conf. II
614631.4082 8.6775 -4.1905 3 521.5902423 89503 303703140 692941 a-Alanine, conf. II
614648.0494240.9104 -4.1746 3 1369.7941759 89503 303C613B3 C513B2 a-Alanine, conf. II
614648.0494240.9104 -4.1746 3 1369.7941759 89503 303C614B3 C514B2 a-Alanine, conf. II
614666.1192100.1181 -4.1191 3 1319.2140711 89503 303B82494 B72493 a-Alanine, conf. II
614666.1192100.1181 -4.1191 3 1319.2140711 89503 303B82594 B72593 a-Alanine, conf. II
614671.9515 6.0719 -4.2399 3 439.1027381 89503 303633330 623131 a-Alanine, conf. II
614672.4398 6.0722 -4.2399 3 439.1027381 89503 303633331 623132 a-Alanine, conf. II
614690.8048 15.6893 -4.0794 3 632.2281405 89503 303675611 665512 a-Alanine, conf. II
614690.8048 15.6893 -4.0794 3 632.2281405 89503 303675612 665511 a-Alanine, conf. II
614804.8563134.6609 -4.2065 3 1305.6311651 89503 303A85553 A75552 a-Alanine, conf. II
614804.8563134.6609 -4.2065 3 1305.6311651 89503 303A85554 A75553 a-Alanine, conf. II
614816.1017158.3867 -3.8878 3 1172.0466633 89503 303A54363 A44362 a-Alanine, conf. II
614986.8044390.6323 -4.1842 3 1383.3262777 89503 303C9 9C0 C8 9B9 a-Alanine, conf. II
614986.8044390.6323 -4.1842 3 1383.3262777 89503 303C910C0 C810B9 a-Alanine, conf. II
615047.3803 6.5648 -4.3541 3 397.5455387 89503 303641747 631548 a-Alanine, conf. II
615047.3848 6.5648 -4.3541 3 397.5455387 89503 303641847 631648 a-Alanine, conf. II
615055.0979117.3354 -4.1488 3 1342.6331729 89503 303C120A1 C020A0 a-Alanine, conf. II
615055.0979117.3354 -4.1488 3 1342.6331729 89503 303C121A1 C021A0 a-Alanine, conf. II
615103.9050 49.0806 -4.1883 3 542.9029435 89503 303722944 712745 a-Alanine, conf. II
615108.3321 14.3206 -4.2808 3 667.9531453 89503 303754629 744530 a-Alanine, conf. II
615108.3321 14.3206 -4.2808 3 667.9531453 89503 303754630 744529 a-Alanine, conf. II
615109.3285 32.3655 -4.2294 3 471.4198411 89503 303682345 672146 a-Alanine, conf. II
615155.4814133.6817 -4.2070 3 639.8031471 89503 303783147 772948 a-Alanine, conf. II
615188.3661 12.0985 -4.1664 3 646.4403429 89503 303715120 705021 a-Alanine, conf. II
615188.3661 12.0985 -4.1664 3 646.4403429 89503 303715121 705020 a-Alanine, conf. II
615216.5616 6.6250 -4.2108 3 472.3375399 89503 303663234 653035 a-Alanine, conf. II
615223.9076 21.3379 -4.0285 3 628.2797387 89503 3036460 4 6359 5 a-Alanine, conf. II
615223.9076 21.3379 -4.0285 3 628.2797387 89503 3036460 5 6359 4 a-Alanine, conf. II
615250.1898 31.9407 -4.2292 3 471.4199411 89503 303682445 672246 a-Alanine, conf. II
615279.8454 6.6646 -4.2107 3 472.3353399 89503 303663235 653036 a-Alanine, conf. II
615291.8170605.5223 -4.1867 3 1393.3064795 89503 303D2 5C7 D1 5C6 a-Alanine, conf. II
615291.8170605.5223 -4.1867 3 1393.3064795 89503 303D2 6C7 D1 6C6 a-Alanine, conf. II
615368.8656146.9295 -4.0547 3 1245.0014645 89503 303A74959 A64958 a-Alanine, conf. II
615369.2172146.9474 -4.0547 3 1245.0014645 89503 303A74958 A64957 a-Alanine, conf. II
615418.3553 88.0010 -3.8631 3 1163.3393633 89503 303A54165 A44164 a-Alanine, conf. II
615456.6380169.7153 -4.1710 3 1362.4185747 89503 303C416A8 C316A7 a-Alanine, conf. II
615456.6380169.7153 -4.1710 3 1362.4185747 89503 303C417A8 C317A7 a-Alanine, conf. II
615543.3428 94.9399 -4.0996 3 1304.3126699 89503 303B62789 B52788 a-Alanine, conf. II
615543.3428 94.9399 -4.0996 3 1304.3126699 89503 303B62889 B52888 a-Alanine, conf. II
615550.4989 84.0613 -4.0548 3 1274.2047681 89503 303B33182 B23181 a-Alanine, conf. II
615550.4989 84.0613 -4.0548 3 1274.2047681 89503 303B33282 B23281 a-Alanine, conf. II
615588.1664894.4545 -4.1822 3 1399.7347813 89503 303D5 1D4 D4 1D3 a-Alanine, conf. II
615588.1664894.4545 -4.1822 3 1399.7347813 89503 303D5 2D4 D4 2D3 a-Alanine, conf. II
615683.8710136.9486 -4.1848 3 1298.4426651 89503 303A85454 A75453 a-Alanine, conf. II
615683.8710136.9486 -4.1848 3 1298.4426651 89503 303A85455 A75454 a-Alanine, conf. II
615825.5082275.9123 -4.1860 3 1378.6231765 89503 303C712B5 C612B4 a-Alanine, conf. II
615825.5082275.9123 -4.1860 3 1378.6231765 89503 303C713B5 C613B4 a-Alanine, conf. II
615851.8778103.7961 -4.1354 3 1330.5270717 89503 303B92396 B82395 a-Alanine, conf. II
615851.8778103.7961 -4.1354 3 1330.5270717 89503 303B92496 B82495 a-Alanine, conf. II
615879.1147 62.3004 -3.9478 3 1210.4509651 89503 303A83871 A73870 a-Alanine, conf. II
615906.8820 62.3723 -3.9477 3 1210.4491651 89503 303A83771 A73770 a-Alanine, conf. II
615922.0181 7.2319 -4.3580 3 383.9866345 89503 303573621 563422 a-Alanine, conf. II
615922.0181 7.2319 -4.3580 3 383.9866345 89503 303573622 563423 a-Alanine, conf. II
615923.5907 14.5577 -4.0991 3 637.0364411 89503 303685513 675414 a-Alanine, conf. II
615923.5907 14.5577 -4.0991 3 637.0364411 89503 303685514 675413 a-Alanine, conf. II
616037.5969 65.8844 -3.9739 3 1225.3070657 89503 303A93773 A83772 a-Alanine, conf. II
616037.6031 15.5692 -4.3131 3 676.0391459 89503 303764531 754432 a-Alanine, conf. II
616037.6031 15.5692 -4.3131 3 676.0391459 89503 303764532 754431 a-Alanine, conf. II
616039.5585 65.8943 -3.9739 3 1225.3069657 89503 303A93673 A83672 a-Alanine, conf. II
616054.7320 6.0298 -4.2731 3 419.6425369 89503 303613427 603228 a-Alanine, conf. II
616054.7374 6.0298 -4.2731 3 419.6425369 89503 303613428 603229 a-Alanine, conf. II
616149.8246 59.1922 -3.9199 3 1195.1787645 89503 303A73969 A63968 a-Alanine, conf. II
616153.2784442.7777 -4.1938 3 1391.2696783 89503 303D0 8C2 C9 8C1 a-Alanine, conf. II
616153.2784442.7777 -4.1938 3 1391.2696783 89503 303D0 9C2 C9 9C1 a-Alanine, conf. II
616186.7871130.1962 -3.8730 3 1167.6157633 89503 303A54264 A44263 a-Alanine, conf. II
616249.1094127.6245 -4.1633 3 1353.0336735 89503 303C219A3 C119A2 a-Alanine, conf. II
616249.1094127.6245 -4.1633 3 1353.0336735 89503 303C220A3 C120A2 a-Alanine, conf. II
616334.2185 12.1839 -4.1913 3 652.8393435 89503 303725022 714923 a-Alanine, conf. II
616334.2185 12.1839 -4.1913 3 652.8393435 89503 303725023 714922 a-Alanine, conf. II
616357.0438 6.4162 -4.3119 3 401.2864357 89503 303593524 583325 a-Alanine, conf. II
616357.0439 6.4162 -4.3119 3 401.2864357 89503 303593525 583326 a-Alanine, conf. II
616453.5813677.1885 -4.1946 3 1400.3645801 89503 303D3 4C9 D2 4C8 a-Alanine, conf. II
616453.5813677.1885 -4.1946 3 1400.3645801 89503 303D3 5C9 D2 5C8 a-Alanine, conf. II
616465.8741 59.6927 -3.9194 3 1195.1566645 89503 303A73869 A63868 a-Alanine, conf. II
616488.6225 19.6918 -4.0449 3 631.8928393 89503 3036559 6 6458 7 a-Alanine, conf. II
616488.6225 19.6918 -4.0449 3 631.8928393 89503 3036559 7 6458 6 a-Alanine, conf. II
616498.2594132.5023 -4.3734 3 1372.9544657 89503 303A96148 A86147 a-Alanine, conf. II
616498.2594132.5023 -4.3734 3 1372.9544657 89503 303A96149 A86148 a-Alanine, conf. II
616506.9464 69.9391 -3.9985 3 1239.7998663 89503 303B03675 A93674 a-Alanine, conf. II
616507.0623 69.9400 -3.9985 3 1239.7998663 89503 303B03575 A93574 a-Alanine, conf. II
616588.7807 88.2318 -4.0750 3 1287.2320687 89503 303B43084 B33083 a-Alanine, conf. II
616588.7807 88.2318 -4.0750 3 1287.2320687 89503 303B43184 B33183 a-Alanine, conf. II
616592.3455 59.4903 -3.8904 3 1179.4440639 89503 303A64067 A54066 a-Alanine, conf. II
616598.2297167.9527 -3.9510 3 1202.1229639 89503 303A64562 A54561 a-Alanine, conf. II
616641.8617139.6165 -4.1636 3 1291.4470651 89503 303A85356 A75355 a-Alanine, conf. II
616641.8619139.6165 -4.1636 3 1291.4470651 89503 303A85355 A75354 a-Alanine, conf. II
616642.6046193.2913 -4.1837 3 1371.9236753 89503 303C515B0 C415A9 a-Alanine, conf. II
616642.6046193.2913 -4.1837 3 1371.9236753 89503 303C516B0 C416A9 a-Alanine, conf. II
616680.3753 77.2303 -3.8501 3 1158.6707633 89503 303A53966 A43965 a-Alanine, conf. II
616698.0270 98.0070 -4.1175 3 1316.3416705 89503 303B72691 B62690 a-Alanine, conf. II
616698.0270 98.0070 -4.1175 3 1316.3416705 89503 303B72791 B62790 a-Alanine, conf. II
616755.2322988.6964 -4.1883 3 1405.9069819 89503 303D6 0D6 D5 0D5 a-Alanine, conf. II
616755.2322988.6964 -4.1883 3 1405.9069819 89503 303D6 1D6 D5 1D5 a-Alanine, conf. II
616883.1271 16.9814 -4.3475 3 684.5250465 89503 303774433 764334 a-Alanine, conf. II
616883.1271 16.9814 -4.3475 3 684.5250465 89503 303774434 764333 a-Alanine, conf. II
616924.0608179.8914 -3.9505 3 1202.1341639 89503 303A64561 A54560 a-Alanine, conf. II
616929.4194 16.9004 -4.2817 3 434.2864399 89503 303662046 651847 a-Alanine, conf. II
616930.5746 16.8976 -4.2817 3 434.2864399 89503 303662146 651947 a-Alanine, conf. II
616932.2543153.1396 -4.0354 3 1239.0332645 89503 303A74860 A64859 a-Alanine, conf. II
616934.9287153.2665 -4.0353 3 1239.0333645 89503 303A74859 A64858 a-Alanine, conf. II
616999.2262315.4018 -4.1969 3 1387.2404771 89503 303C811B7 C711B6 a-Alanine, conf. II
616999.2262315.4018 -4.1969 3 1387.2404771 89503 303C812B7 C712B6 a-Alanine, conf. II
617041.4652108.4601 -4.1513 3 1341.6193723 89503 303C02298 B92297 a-Alanine, conf. II
617041.4652108.4601 -4.1513 3 1341.6193723 89503 303C02398 B92397 a-Alanine, conf. II
617086.8310133.6673 -4.3490 3 1364.7094657 89503 303A96049 A86048 a-Alanine, conf. II
617086.8310133.6673 -4.3490 3 1364.7094657 89503 303A96050 A86049 a-Alanine, conf. II
617098.0476 59.6824 -4.1979 3 658.0281477 89503 303793247 783048 a-Alanine, conf. II
617142.7776 13.6362 -4.1198 3 642.1971417 89503 303695415 685316 a-Alanine, conf. II
617142.7776 13.6362 -4.1198 3 642.1971417 89503 303695416 685315 a-Alanine, conf. II
617146.9634 40.0549 -4.2224 3 488.1620417 89503 303692445 682246 a-Alanine, conf. II
617177.2785 54.6047 -4.2292 3 611.4437459 89503 303763244 753045 a-Alanine, conf. II
617182.8889 74.3557 -4.0221 3 1253.9666669 89503 303B13577 B03576 a-Alanine, conf. II
617182.8947 74.3558 -4.0221 3 1253.9666669 89503 303B13477 B03476 a-Alanine, conf. II
617183.3604 65.9238 -4.2159 3 522.1775429 89503 303712645 702446 a-Alanine, conf. II
617218.1318265.9489 -3.7815 3 1123.6534621 89503 303A34162 A24161 a-Alanine, conf. II
617317.5062500.0414 -4.2030 3 1399.0015789 89503 303D1 7C4 D0 7C3 a-Alanine, conf. II
617317.5062500.0414 -4.2030 3 1399.0015789 89503 303D1 8C4 D0 8C3 a-Alanine, conf. II
617441.1118140.9850 -4.1773 3 1363.2190741 89503 303C318A5 C218A4 a-Alanine, conf. II
617441.1118140.9850 -4.1773 3 1363.2190741 89503 303C319A5 C219A4 a-Alanine, conf. II
617448.4252 12.5867 -4.2175 3 659.6065441 89503 303734924 724825 a-Alanine, conf. II
617448.4252 12.5867 -4.2175 3 659.6065441 89503 303734925 724824 a-Alanine, conf. II
617609.3285 38.5641 -4.2218 3 488.1626417 89503 303692545 682346 a-Alanine, conf. II
617615.7211754.8023 -4.2020 3 1407.2110807 89503 303D4 3D1 D3 3D0 a-Alanine, conf. II
617615.7211754.8023 -4.2020 3 1407.2110807 89503 303D4 4D1 D3 4D0 a-Alanine, conf. II
617670.0423 92.1140 -4.0947 3 1300.0100693 89503 303B52986 B42985 a-Alanine, conf. II
617670.0423 92.1140 -4.0947 3 1300.0100693 89503 303B53086 B43085 a-Alanine, conf. II
617691.9766142.7619 -4.1427 3 1284.6500651 89503 303A85257 A75256 a-Alanine, conf. II
617691.9778142.7619 -4.1427 3 1284.6500651 89503 303A85256 A75255 a-Alanine, conf. II
617708.2888290.8182 -3.8325 3 1147.6573627 89503 303A44262 A34261 a-Alanine, conf. II
617715.4796134.9786 -4.3251 3 1356.6376657 89503 303A95950 A85949 a-Alanine, conf. II
617715.4796134.9786 -4.3251 3 1356.6376657 89503 303A95951 A85950 a-Alanine, conf. II
617745.8943 18.1589 -4.0622 3 635.8509399 89503 3036658 8 6557 9 a-Alanine, conf. II
617745.8943 18.1589 -4.0622 3 635.8509399 89503 3036658 9 6557 8 a-Alanine, conf. II
617799.4484 10.6211 -4.1937 3 535.3318429 89503 303713141 702942 a-Alanine, conf. II
617824.7517220.9983 -4.1959 3 1381.2162759 89503 303C614B2 C514B1 a-Alanine, conf. II
617824.7517220.9983 -4.1959 3 1381.2162759 89503 303C615B2 C515B1 a-Alanine, conf. II
617865.9403101.0563 -4.1349 3 1328.1420711 89503 303B82593 B72592 a-Alanine, conf. II
617865.9403101.0563 -4.1349 3 1328.1420711 89503 303B82693 B72692 a-Alanine, conf. II
618000.4994 78.9564 -4.0446 3 1267.8334675 89503 303B23479 B13478 a-Alanine, conf. II
618000.4997 78.9565 -4.0446 3 1267.8334675 89503 303B23379 B13378 a-Alanine, conf. II
618094.3491 50.4545 -4.2178 3 505.0844423 89503 303702545 692346 a-Alanine, conf. II
618169.5320359.5456 -4.2074 3 1395.6460777 89503 303C910B9 C810B8 a-Alanine, conf. II
618169.5320359.5456 -4.2074 3 1395.6460777 89503 303C911B9 C811B8 a-Alanine, conf. II
618232.7965114.6489 -4.1667 3 1352.4929729 89503 303C121A0 C02199 a-Alanine, conf. II
618232.7965114.6489 -4.1667 3 1352.4929729 89503 303C122A0 C02299 a-Alanine, conf. II
618242.3109 24.5415 -4.0164 3 633.6914381 89503 3036362 1 6261 2 a-Alanine, conf. II
618242.3109 24.5415 -4.0164 3 633.6914381 89503 3036362 2 6261 1 a-Alanine, conf. II
618345.7292 12.9653 -4.1415 3 647.7130423 89503 303705317 695218 a-Alanine, conf. II
618345.7292 12.9653 -4.1415 3 647.7130423 89503 303705318 695217 a-Alanine, conf. II
618388.6428136.4604 -4.3017 3 1348.7414657 89503 303A95851 A85850 a-Alanine, conf. II
618388.6428136.4604 -4.3017 3 1348.7414657 89503 303A95852 A85851 a-Alanine, conf. II
618480.1579562.6463 -4.2117 3 1406.5217795 89503 303D2 6C6 D1 6C5 a-Alanine, conf. II
618480.1579562.6463 -4.2117 3 1406.5217795 89503 303D2 7C6 D1 7C5 a-Alanine, conf. II
618524.1466 13.2856 -4.2451 3 666.7471447 89503 303744826 734727 a-Alanine, conf. II
618524.1466 13.2856 -4.2451 3 666.7471447 89503 303744827 734726 a-Alanine, conf. II
618541.7877258.9574 -3.8823 3 1172.2092633 89503 303A54362 A44361 a-Alanine, conf. II
618630.3811157.8396 -4.1909 3 1373.1903747 89503 303C417A7 C317A6 a-Alanine, conf. II
618630.3811157.8396 -4.1909 3 1373.1903747 89503 303C418A7 C318A6 a-Alanine, conf. II
618642.8566 6.9270 -4.2110 3 485.1536405 89503 303673235 663036 a-Alanine, conf. II
618733.8873161.0465 -4.0162 3 1233.3113645 89503 303A74761 A64760 a-Alanine, conf. II
618752.3289161.8606 -4.0162 3 1233.3119645 89503 303A74760 A64759 a-Alanine, conf. II
618779.1737838.6334 -4.2091 3 1413.8456813 89503 303D5 2D3 D4 2D2 a-Alanine, conf. II
618779.1737838.6334 -4.2091 3 1413.8456813 89503 303D5 3D3 D4 3D2 a-Alanine, conf. II
618783.2138 95.6868 -4.1137 3 1312.5457699 89503 303B62888 B52887 a-Alanine, conf. II
618783.2138 95.6868 -4.1137 3 1312.5457699 89503 303B62988 B52987 a-Alanine, conf. II
618784.5063 6.9922 -4.2108 3 485.1487405 89503 303673236 663037 a-Alanine, conf. II
618851.1681146.5207 -4.1224 3 1278.0587651 89503 303A85158 A75157 a-Alanine, conf. II
618851.1793146.5213 -4.1224 3 1278.0587651 89503 303A85157 A75156 a-Alanine, conf. II
618911.7232 6.3342 -4.2374 3 451.2345387 89503 303643331 633132 a-Alanine, conf. II
618912.9886 6.3353 -4.2374 3 451.2345387 89503 303643332 633133 a-Alanine, conf. II
618918.6590 83.5664 -4.0664 3 1281.4190681 89503 303B33281 B23280 a-Alanine, conf. II
618918.6590 83.5664 -4.0664 3 1281.4190681 89503 303B33381 B23380 a-Alanine, conf. II
618994.3831 16.7604 -4.0804 3 640.1558405 89503 303675710 665611 a-Alanine, conf. II
618994.3831 16.7604 -4.0804 3 640.1558405 89503 303675711 665610 a-Alanine, conf. II
619003.0692252.9962 -4.2077 3 1390.2966765 89503 303C713B4 C613B3 a-Alanine, conf. II
619003.0692252.9962 -4.2077 3 1390.2966765 89503 303C714B4 C614B3 a-Alanine, conf. II
619042.9918104.3525 -4.1518 3 1339.7171717 89503 303B92495 B82494 a-Alanine, conf. II
619042.9918104.3525 -4.1518 3 1339.7171717 89503 303B92595 B82594 a-Alanine, conf. II
619105.3616172.2146 -3.9327 3 1197.1849639 89503 303A64463 A54462 a-Alanine, conf. II
619111.5462138.1430 -4.2787 3 1341.0239657 89503 303A95752 A85751 a-Alanine, conf. II
619111.5462138.1430 -4.2787 3 1341.0239657 89503 303A95753 A85752 a-Alanine, conf. II
619224.4308 69.8477 -3.8859 3 1179.2409639 89503 303A63967 A53966 a-Alanine, conf. II
619336.8582408.5252 -4.2175 3 1403.8400783 89503 303D0 9C1 C9 9C0 a-Alanine, conf. II
619336.8582408.5252 -4.2175 3 1403.8400783 89503 303D010C1 C910C0 a-Alanine, conf. II
619424.2540122.9492 -4.1817 3 1363.1492735 89503 303C220A2 C120A1 a-Alanine, conf. II
619424.2540122.9492 -4.1817 3 1363.1492735 89503 303C221A2 C121A1 a-Alanine, conf. II
619501.0794 45.7055 -4.2160 3 505.0867423 89503 303702645 692446 a-Alanine, conf. II
619515.3811 22.7244 -4.0315 3 636.8112387 89503 3036461 3 6360 4 a-Alanine, conf. II
619515.3811 22.7244 -4.0315 3 636.8112387 89503 3036461 4 6360 3 a-Alanine, conf. II
619529.2463 12.5836 -4.1644 3 653.5871429 89503 303715219 705120 a-Alanine, conf. II
619529.2463 12.5836 -4.1644 3 653.5871429 89503 303715220 705119 a-Alanine, conf. II
619552.7965 14.2462 -4.2744 3 674.2668453 89503 303754728 744629 a-Alanine, conf. II
619552.7965 14.2462 -4.2744 3 674.2668453 89503 303754729 744628 a-Alanine, conf. II
619641.9828630.8293 -4.2201 3 1413.8303801 89503 303D3 5C8 D2 5C7 a-Alanine, conf. II
619641.9828630.8293 -4.2201 3 1413.8303801 89503 303D3 6C8 D2 6C7 a-Alanine, conf. II
619710.8224 9.5321 -4.3329 3 413.6151393 89503 303651847 641648 a-Alanine, conf. II
619710.8454 9.5320 -4.3329 3 413.6151393 89503 303651947 641748 a-Alanine, conf. II
619816.4257178.5098 -4.2041 3 1382.9480753 89503 303C516A9 C416A8 a-Alanine, conf. II
619816.4257178.5098 -4.2041 3 1382.9480753 89503 303C517A9 C417A8 a-Alanine, conf. II
619890.4110140.0643 -4.2563 3 1333.4884657 89503 303A95653 A85652 a-Alanine, conf. II
619890.4110140.0643 -4.2563 3 1333.4884657 89503 303A95654 A85653 a-Alanine, conf. II
619909.9009 88.0399 -4.0874 3 1294.7373687 89503 303B43183 B33182 a-Alanine, conf. II
619909.9009 88.0399 -4.0874 3 1294.7373687 89503 303B43283 B33282 a-Alanine, conf. II
619919.9647 98.9870 -4.1323 3 1324.8450705 89503 303B72790 B62789 a-Alanine, conf. II
619919.9647 98.9870 -4.1323 3 1324.8450705 89503 303B72890 B62889 a-Alanine, conf. II
619944.9440928.9632 -4.2157 3 1420.2685819 89503 303D6 1D5 D5 1D4 a-Alanine, conf. II
619944.9440928.9632 -4.2157 3 1420.2685819 89503 303D6 2D5 D5 2D4 a-Alanine, conf. II
620011.1491 65.4379 -3.9808 3 1230.9944657 89503 303A93872 A83871 a-Alanine, conf. II
620025.0242 65.4830 -3.9807 3 1230.9935657 89503 303A93772 A83771 a-Alanine, conf. II
620141.9071151.0891 -4.1024 3 1271.6812651 89503 303A85059 A75058 a-Alanine, conf. II
620142.0050151.0945 -4.1024 3 1271.6812651 89503 303A85058 A75057 a-Alanine, conf. II
620143.0219104.4582 -3.7656 3 1120.6822621 89503 303A34063 A24062 a-Alanine, conf. II
620172.1594 62.1009 -3.9531 3 1215.7312651 89503 303A83970 A73969 a-Alanine, conf. II
620177.6854289.4373 -4.2192 3 1399.1649771 89503 303C812B6 C712B5 a-Alanine, conf. II
620177.6854289.4373 -4.2192 3 1399.1649771 89503 303C813B6 C713B5 a-Alanine, conf. II
620225.9804108.2652 -4.1682 3 1351.0696723 89503 303C02397 B92396 a-Alanine, conf. II
620225.9804108.2652 -4.1682 3 1351.0696723 89503 303C02497 B92496 a-Alanine, conf. II
620232.4796 15.5238 -4.0995 3 644.8095411 89503 303685612 675513 a-Alanine, conf. II
620232.4796 15.5238 -4.0995 3 644.8095411 89503 303685613 675512 a-Alanine, conf. II
620242.5867 78.4411 -3.8947 3 1183.8675639 89503 303A64166 A54165 a-Alanine, conf. II
620256.3472 69.2451 -4.0067 3 1245.8558663 89503 303B03774 A93773 a-Alanine, conf. II
620257.2819 69.2507 -4.0067 3 1245.8557663 89503 303B03674 A93673 a-Alanine, conf. II
620340.1315 62.3770 -3.9528 3 1215.7197651 89503 303A83870 A73869 a-Alanine, conf. II
620501.7331462.5376 -4.2272 3 1411.8223789 89503 303D1 8C3 D0 8C2 a-Alanine, conf. II
620501.7331462.5376 -4.2272 3 1411.8223789 89503 303D1 9C3 D0 9C2 a-Alanine, conf. II
620523.4645 15.4297 -4.3055 3 682.1723459 89503 303764630 754531 a-Alanine, conf. II
620523.4645 15.4297 -4.3055 3 682.1723459 89503 303764631 754530 a-Alanine, conf. II
620614.6006133.9392 -4.1963 3 1373.5894741 89503 303C319A4 C219A3 a-Alanine, conf. II
620614.6006133.9392 -4.1963 3 1373.5894741 89503 303C320A4 C220A3 a-Alanine, conf. II
620650.0306 6.1824 -4.2683 3 431.3311375 89503 303623428 613229 a-Alanine, conf. II
620650.0464 6.1824 -4.2683 3 431.3311375 89503 303623429 613230 a-Alanine, conf. II
620671.6492 60.3591 -3.9236 3 1200.0113645 89503 303A74068 A64067 a-Alanine, conf. II
620689.2223223.3174 -3.9305 3 1197.2467639 89503 303A64462 A54461 a-Alanine, conf. II
620689.4284 12.5187 -4.1885 3 659.8228435 89503 303725121 715022 a-Alanine, conf. II
620689.4284 12.5187 -4.1885 3 659.8228435 89503 303725122 715021 a-Alanine, conf. II
620716.9715 21.4842 -4.2685 3 450.7149405 89503 303672146 661947 a-Alanine, conf. II
620721.7242 21.4714 -4.2685 3 450.7149405 89503 303672246 662047 a-Alanine, conf. II
620732.7368142.2729 -4.2343 3 1326.1388657 89503 303A95554 A85553 a-Alanine, conf. II
620732.7368142.2729 -4.2343 3 1326.1388657 89503 303A95555 A85554 a-Alanine, conf. II
620780.8096 73.5196 -4.0313 3 1260.3643669 89503 303B13676 B03675 a-Alanine, conf. II
620780.8626 73.5201 -4.0313 3 1260.3642669 89503 303B13576 B03575 a-Alanine, conf. II
620782.5929 21.0011 -4.0474 3 640.2736393 89503 3036560 5 6459 6 a-Alanine, conf. II
620782.5929 21.0011 -4.0474 3 640.2736393 89503 3036560 6 6459 5 a-Alanine, conf. II
620803.8060704.8402 -4.2281 3 1420.9272807 89503 303D4 4D0 D3 4C9 a-Alanine, conf. II
620803.8060704.8402 -4.2281 3 1420.9272807 89503 303D4 5D0 D3 5C9 a-Alanine, conf. II
620835.2055170.6838 -3.9974 3 1227.8556645 89503 303A74662 A64661 a-Alanine, conf. II
620933.8519 7.1324 -4.3476 3 394.8291351 89503 303583622 573423 a-Alanine, conf. II
620933.8519 7.1324 -4.3476 3 394.8291351 89503 303583623 573424 a-Alanine, conf. II
620948.9388175.3122 -3.9972 3 1227.8593645 89503 303A74661 A64660 a-Alanine, conf. II
620955.0421 92.2709 -4.1077 3 1307.7992693 89503 303B53085 B43084 a-Alanine, conf. II
620955.0421 92.2709 -4.1077 3 1307.7992693 89503 303B53185 B43184 a-Alanine, conf. II
620998.9537203.2347 -4.2168 3 1392.4926759 89503 303C615B1 C515B0 a-Alanine, conf. II
620998.9537203.2347 -4.2168 3 1392.4926759 89503 303C616B1 C516B0 a-Alanine, conf. II
621073.9239102.1206 -4.1503 3 1336.9124711 89503 303B82692 B72691 a-Alanine, conf. II
621073.9239102.1206 -4.1503 3 1336.9124711 89503 303B82792 B72791 a-Alanine, conf. II
621095.3859 52.5500 -4.2118 3 522.1854429 89503 303712745 702546 a-Alanine, conf. II
621114.1026999.9999 -4.2220 3 1426.4796825 89503 303D7 0D7 D6 0D6 a-Alanine, conf. II
621114.1026999.9999 -4.2220 3 1426.4796825 89503 303D7 1D7 D6 1D6 a-Alanine, conf. II
621194.2993 6.4301 -4.3046 3 412.5466363 89503 303603525 593326 a-Alanine, conf. II
621194.2994 6.4301 -4.3046 3 412.5466363 89503 303603526 593327 a-Alanine, conf. II
621263.0451158.4902 -3.9159 3 1192.5546639 89503 303A64364 A54363 a-Alanine, conf. II
621348.8520330.4795 -4.2302 3 1407.8213777 89503 303C911B8 C811B7 a-Alanine, conf. II
621348.8520330.4795 -4.2302 3 1407.8213777 89503 303C912B8 C812B7 a-Alanine, conf. II
621412.3989113.2684 -4.1842 3 1362.2016729 89503 303C12299 C02298 a-Alanine, conf. II
621412.3989113.2684 -4.1842 3 1362.2016729 89503 303C12399 C02398 a-Alanine, conf. II
621422.0830 16.7985 -4.3385 3 690.4718465 89503 303774532 764433 a-Alanine, conf. II
621422.0830 16.7985 -4.3385 3 690.4718465 89503 303774533 764432 a-Alanine, conf. II
621442.3879 14.5883 -4.1983 3 549.2784435 89503 303723142 712943 a-Alanine, conf. II
621458.2479 14.4833 -4.1197 3 649.8142417 89503 303695514 685415 a-Alanine, conf. II
621458.2479 14.4833 -4.1197 3 649.8142417 89503 303695515 685414 a-Alanine, conf. II
621491.9933 78.1233 -4.0548 3 1274.5536675 89503 303B23578 B13577 a-Alanine, conf. II
621491.9959 78.1233 -4.0548 3 1274.5536675 89503 303B23478 B13477 a-Alanine, conf. II
621593.0692 41.6189 -4.1970 3 560.2275441 89503 303733044 722845 a-Alanine, conf. II
621594.9083156.7565 -4.0827 3 1265.5279651 89503 303A84960 A74959 a-Alanine, conf. II
621595.6927156.7971 -4.0827 3 1265.5279651 89503 303A84959 A74958 a-Alanine, conf. II
621647.6977144.8322 -4.2127 3 1318.9796657 89503 303A95455 A85454 a-Alanine, conf. II
621647.6977144.8322 -4.2127 3 1318.9796657 89503 303A95456 A85455 a-Alanine, conf. II
621664.7742521.7953 -4.2365 3 1419.5930795 89503 303D2 7C5 D1 7C4 a-Alanine, conf. II
621664.7742521.7953 -4.2365 3 1419.5930795 89503 303D2 8C5 D1 8C4 a-Alanine, conf. II
621738.1129 53.5101 -4.2395 3 596.3269453 89503 303753243 743044 a-Alanine, conf. II
621793.6124 7.3008 -4.2122 3 498.1903411 89503 303683236 673037 a-Alanine, conf. II
621802.9144148.1320 -4.2104 3 1383.8146747 89503 303C418A6 C318A5 a-Alanine, conf. II
621802.9144148.1320 -4.2104 3 1383.8146747 89503 303C419A6 C319A5 a-Alanine, conf. II
621821.4931 12.7797 -4.2139 3 666.4242441 89503 303735023 724924 a-Alanine, conf. II
621821.4931 12.7797 -4.2139 3 666.4242441 89503 303735024 724923 a-Alanine, conf. II
621931.6551120.2958 -3.9027 3 1188.1695639 89503 303A64265 A54264 a-Alanine, conf. II
621966.5245784.9416 -4.2357 3 1427.8124813 89503 303D5 3D2 D4 3D1 a-Alanine, conf. II
621966.5245784.9416 -4.2357 3 1427.8124813 89503 303D5 4D2 D4 4D1 a-Alanine, conf. II
622040.2223 96.1981 -4.1275 3 1320.6132699 89503 303B62987 B52986 a-Alanine, conf. II
622040.2223 96.1981 -4.1275 3 1320.6132699 89503 303B63087 B53086 a-Alanine, conf. II
622042.9465 19.3855 -4.0642 3 644.0800399 89503 3036659 7 6558 8 a-Alanine, conf. II
622042.9465 19.3855 -4.0642 3 644.0800399 89503 3036659 8 6558 7 a-Alanine, conf. II
622101.1541 7.3511 -4.2117 3 498.1796411 89503 303683237 673038 a-Alanine, conf. II
622177.8461232.2001 -4.2292 3 1401.8246765 89503 303C714B3 C614B2 a-Alanine, conf. II
622177.8461232.2001 -4.2292 3 1401.8246765 89503 303C715B3 C615B2 a-Alanine, conf. II
622217.2057 65.4216 -3.9210 3 1199.8961645 89503 303A73968 A63967 a-Alanine, conf. II
622240.1612105.2766 -4.1678 3 1348.7517717 89503 303B92594 B82593 a-Alanine, conf. II
622240.1612105.2766 -4.1678 3 1348.7517717 89503 303B92694 B82693 a-Alanine, conf. II
622332.6338 82.8717 -4.0774 3 1288.4477681 89503 303B33480 B23479 a-Alanine, conf. II
622332.6340 82.8717 -4.0774 3 1288.4477681 89503 303B33380 B23379 a-Alanine, conf. II
622516.9333376.2930 -4.2409 3 1416.2659783 89503 303D010C0 C910B9 a-Alanine, conf. II
622516.9333376.2930 -4.2409 3 1416.2659783 89503 303D011C0 C911B9 a-Alanine, conf. II
622530.4864 26.0598 -4.0203 3 642.5190381 89503 3036363 0 6262 1 a-Alanine, conf. II
622530.4864 26.0598 -4.0203 3 642.5190381 89503 3036363 1 6262 0 a-Alanine, conf. II
622600.2903119.9198 -4.1998 3 1373.1149735 89503 303C221A1 C121A0 a-Alanine, conf. II
622600.2903119.9198 -4.1998 3 1373.1149735 89503 303C222A1 C122A0 a-Alanine, conf. II
622646.7116147.8267 -4.1916 3 1312.0159657 89503 303A95357 A85356 a-Alanine, conf. II
622646.7119147.8267 -4.1916 3 1312.0159657 89503 303A95356 A85355 a-Alanine, conf. II
622669.3545 13.6787 -4.1408 3 655.1723423 89503 303705416 695317 a-Alanine, conf. II
622669.3545 13.6787 -4.1408 3 655.1723423 89503 303705417 695316 a-Alanine, conf. II
622826.6822586.5258 -4.2454 3 1427.1520801 89503 303D3 6C7 D2 6C6 a-Alanine, conf. II
622826.6822586.5258 -4.2454 3 1427.1520801 89503 303D3 7C7 D2 7C6 a-Alanine, conf. II
622844.3310 57.4532 -4.2091 3 539.4517435 89503 303722845 712646 a-Alanine, conf. II
622919.5351 13.3540 -4.2407 3 673.3957447 89503 303744925 734826 a-Alanine, conf. II
622919.5351 13.3540 -4.2407 3 673.3957447 89503 303744926 734825 a-Alanine, conf. II
622988.5375165.9431 -4.2242 3 1393.8255753 89503 303C517A8 C417A7 a-Alanine, conf. II
622988.5375165.9431 -4.2242 3 1393.8255753 89503 303C518A8 C418A7 a-Alanine, conf. II
622993.6352158.9392 -4.2448 3 621.5631465 89503 303773047 762848 a-Alanine, conf. II
623034.9902 6.6239 -4.2357 3 463.5753393 89503 303653332 643133 a-Alanine, conf. II
623038.1792 6.6269 -4.2357 3 463.5752393 89503 303653333 643134 a-Alanine, conf. II
623131.1050871.4079 -4.2429 3 1434.4859819 89503 303D6 2D4 D5 2D3 a-Alanine, conf. II
623131.1050871.4079 -4.2429 3 1434.4859819 89503 303D6 3D4 D5 3D3 a-Alanine, conf. II
623155.1646 99.8112 -4.1467 3 1333.1861705 89503 303B72889 B62888 a-Alanine, conf. II
623155.1646 99.8112 -4.1467 3 1333.1861705 89503 303B72989 B62988 a-Alanine, conf. II
623250.8641179.6317 -3.9787 3 1222.6904645 89503 303A74563 A64562 a-Alanine, conf. II
623253.0774163.9315 -4.0634 3 1259.6118651 89503 303A84861 A74860 a-Alanine, conf. II
623258.8101164.2086 -4.0634 3 1259.6120651 89503 303A84860 A74859 a-Alanine, conf. II
623265.9228 87.5927 -4.0993 3 1302.0639687 89503 303B43282 B33281 a-Alanine, conf. II
623265.9228 87.5927 -4.0993 3 1302.0639687 89503 303B43382 B33381 a-Alanine, conf. II
623295.2437 17.8965 -4.0819 3 648.2322405 89503 3036758 9 665710 a-Alanine, conf. II
623295.2437 17.8965 -4.0819 3 648.2322405 89503 303675810 6657 9 a-Alanine, conf. II
623353.1359265.5664 -4.2412 3 1410.9443771 89503 303C813B5 C713B4 a-Alanine, conf. II
623353.1359265.5664 -4.2412 3 1410.9443771 89503 303C814B5 C714B4 a-Alanine, conf. II
623414.8316108.7421 -4.1849 3 1360.3661723 89503 303C02496 B92495 a-Alanine, conf. II
623414.8316108.7421 -4.1849 3 1360.3661723 89503 303C02596 B92595 a-Alanine, conf. II
623539.5722142.1877 -4.3528 3 1377.2423663 89503 303B05951 A95950 a-Alanine, conf. II
623539.5722142.1877 -4.3528 3 1377.2423663 89503 303B05952 A95951 a-Alanine, conf. II
623624.5396112.6400 -4.2390 3 570.9647447 89503 303742846 732647 a-Alanine, conf. II
623682.3955427.0633 -4.2511 3 1424.4988789 89503 303D1 9C2 D0 9C1 a-Alanine, conf. II
623682.3955427.0633 -4.2511 3 1424.4988789 89503 303D110C2 D010C1 a-Alanine, conf. II
623744.2836151.3722 -4.1710 3 1305.2540657 89503 303A95258 A85257 a-Alanine, conf. II
623744.2865151.3724 -4.1710 3 1305.2540657 89503 303A95257 A85256 a-Alanine, conf. II
623788.1419128.8175 -4.2149 3 1383.8109741 89503 303C320A3 C220A2 a-Alanine, conf. II
623788.1419128.8175 -4.2149 3 1383.8109741 89503 303C321A3 C221A2 a-Alanine, conf. II
623805.3931 24.1698 -4.0349 3 645.4893387 89503 3036462 2 6361 3 a-Alanine, conf. II
623805.3931 24.1698 -4.0349 3 645.4893387 89503 3036462 3 6361 2 a-Alanine, conf. II
623862.9783 13.1506 -4.1631 3 660.8868429 89503 303715318 705219 a-Alanine, conf. II
623862.9783 13.1506 -4.1631 3 660.8868429 89503 303715319 705218 a-Alanine, conf. II
623863.8303202.1937 -3.9779 3 1222.7125645 89503 303A74562 A64561 a-Alanine, conf. II
623976.1998 14.2127 -4.2690 3 680.7426453 89503 303754827 744728 a-Alanine, conf. II
623976.1998 14.2127 -4.2690 3 680.7426453 89503 303754828 744727 a-Alanine, conf. II
623988.2368656.9702 -4.2539 3 1434.4993807 89503 303D4 5C9 D3 5C8 a-Alanine, conf. II
623988.2368656.9702 -4.2539 3 1434.4993807 89503 303D4 6C9 D3 6C8 a-Alanine, conf. II
624142.9976 26.7913 -4.2578 3 467.3428411 89503 303682246 672047 a-Alanine, conf. II
624151.3734 13.0727 -4.3149 3 429.8954399 89503 303661947 651748 a-Alanine, conf. II
624151.4832 13.0725 -4.3149 3 429.8954399 89503 303662047 651848 a-Alanine, conf. II
624155.7140 54.5772 -3.8005 3 1141.3679627 89503 303A44064 A34063 a-Alanine, conf. II
624161.3942 26.7361 -4.2578 3 467.3428411 89503 303682346 672147 a-Alanine, conf. II
624164.8879 68.7193 -4.0140 3 1251.6758663 89503 303B03873 A93872 a-Alanine, conf. II
624171.0363187.6868 -4.2375 3 1403.6228759 89503 303C616B0 C516A9 a-Alanine, conf. II
624171.0363187.6868 -4.2375 3 1403.6228759 89503 303C617B0 C517A9 a-Alanine, conf. II
624171.7333 68.7468 -4.0140 3 1251.6753663 89503 303B03773 A93772 a-Alanine, conf. II
624216.2277 65.1703 -3.9866 3 1236.4180657 89503 303A93971 A83970 a-Alanine, conf. II
624236.9681143.8323 -4.3296 3 1369.3686663 89503 303B05852 A95851 a-Alanine, conf. II
624236.9681143.8323 -4.3296 3 1369.3686663 89503 303B05853 A95852 a-Alanine, conf. II
624266.9373 92.1467 -4.1204 3 1315.4153693 89503 303B53184 B43183 a-Alanine, conf. II
624266.9373 92.1467 -4.1204 3 1315.4153693 89503 303B53284 B43283 a-Alanine, conf. II
624292.0965103.1602 -4.1653 3 1345.5233711 89503 303B82791 B72790 a-Alanine, conf. II
624292.0965103.1602 -4.1653 3 1345.5233711 89503 303B82891 B72890 a-Alanine, conf. II
624298.5815964.5255 -4.2497 3 1440.9477825 89503 303D7 1D6 D6 1D5 a-Alanine, conf. II
624298.5815964.5255 -4.2497 3 1440.9477825 89503 303D7 2D6 D6 2D5 a-Alanine, conf. II
624303.9197 65.3395 -3.9864 3 1236.4120657 89503 303A93871 A83870 a-Alanine, conf. II
624487.3975 72.7583 -4.0399 3 1266.5453669 89503 303B13775 B03774 a-Alanine, conf. II
624487.8384 72.7613 -4.0399 3 1266.5453669 89503 303B13675 B03674 a-Alanine, conf. II
624524.9912303.4880 -4.2528 3 1419.8518777 89503 303C912B7 C812B6 a-Alanine, conf. II
624524.9912303.4880 -4.2528 3 1419.8518777 89503 303C913B7 C813B6 a-Alanine, conf. II
624538.0481 16.5589 -4.1006 3 652.7319411 89503 303685711 675612 a-Alanine, conf. II
624538.0481 16.5589 -4.1006 3 652.7319411 89503 303685712 675611 a-Alanine, conf. II
624581.5683 7.9482 -4.2143 3 511.4523417 89503 303693237 683038 a-Alanine, conf. II
624594.9247112.9104 -4.2015 3 1371.7581729 89503 303C12398 C02397 a-Alanine, conf. II
624594.9247112.9104 -4.2015 3 1371.7581729 89503 303C12498 C02497 a-Alanine, conf. II
624685.1818 62.4450 -3.9572 3 1220.7147651 89503 303A84069 A74068 a-Alanine, conf. II
624768.8973 71.6069 -3.9274 3 1204.5565645 89503 303A74167 A64166 a-Alanine, conf. II
624845.7996482.9914 -4.2610 3 1432.5200795 89503 303D2 8C4 D1 8C3 a-Alanine, conf. II
624845.7996482.9914 -4.2610 3 1432.5200795 89503 303D2 9C4 D1 9C3 a-Alanine, conf. II
624959.3030155.6326 -4.1507 3 1298.7013657 89503 303A95159 A85158 a-Alanine, conf. II
624959.3295155.6342 -4.1507 3 1298.7013657 89503 303A95158 A85157 a-Alanine, conf. II
624974.8041140.5420 -4.2297 3 1394.2909747 89503 303C419A5 C319A4 a-Alanine, conf. II
624974.8041140.5420 -4.2297 3 1394.2909747 89503 303C420A5 C320A4 a-Alanine, conf. II
624982.2316 15.3180 -4.2989 3 688.4709459 89503 303764729 754630 a-Alanine, conf. II
624982.2316 15.3180 -4.2989 3 688.4709459 89503 303764730 754629 a-Alanine, conf. II
624986.6341145.7022 -4.3068 3 1361.6752663 89503 303B05753 A95752 a-Alanine, conf. II
624986.6341145.7022 -4.3068 3 1361.6752663 89503 303B05754 A95753 a-Alanine, conf. II
625035.6950 12.9332 -4.1865 3 666.9608435 89503 303725220 715121 a-Alanine, conf. II
625035.6950 12.9332 -4.1865 3 666.9608435 89503 303725221 715120 a-Alanine, conf. II
625060.7661 77.2508 -4.0644 3 1281.0713675 89503 303B23677 B13676 a-Alanine, conf. II
625060.7903 77.2511 -4.0644 3 1281.0713675 89503 303B23577 B13576 a-Alanine, conf. II
625074.8517 22.3704 -4.0504 3 648.8014393 89503 3036561 4 6460 5 a-Alanine, conf. II
625074.8517 22.3704 -4.0504 3 648.8014393 89503 3036561 5 6460 4 a-Alanine, conf. II
625150.2927733.3831 -4.2620 3 1441.6350813 89503 303D5 4D1 D4 4D0 a-Alanine, conf. II
625150.2927733.3831 -4.2620 3 1441.6350813 89503 303D5 5D1 D4 5D0 a-Alanine, conf. II
625167.1803 6.3808 -4.2646 3 443.2240381 89503 303633429 623230 a-Alanine, conf. II
625167.2249 6.3809 -4.2646 3 443.2240381 89503 303633430 623231 a-Alanine, conf. II
625174.0704173.0136 -4.0444 3 1253.9501651 89503 303A84762 A74761 a-Alanine, conf. II
625211.8996174.7102 -4.0443 3 1253.9512651 89503 303A84761 A74760 a-Alanine, conf. II
625228.3380 7.7540 -4.2134 3 511.4297417 89503 303693238 683039 a-Alanine, conf. II
625318.0894 96.4352 -4.1408 3 1328.5120699 89503 303B63086 B53085 a-Alanine, conf. II
625318.0894 96.4352 -4.1408 3 1328.5120699 89503 303B63186 B53185 a-Alanine, conf. II
625350.1702213.5977 -4.2504 3 1413.2069765 89503 303C715B2 C615B1 a-Alanine, conf. II
625350.1702213.5977 -4.2504 3 1413.2069765 89503 303C716B2 C616B1 a-Alanine, conf. II
625397.0023230.3248 -3.8054 3 1144.2416627 89503 303A44163 A34162 a-Alanine, conf. II
625445.0519106.3675 -4.1835 3 1357.6292717 89503 303B92693 B82692 a-Alanine, conf. II
625445.0519106.3675 -4.1835 3 1357.6292717 89503 303B92793 B82792 a-Alanine, conf. II
625470.0535999.9999 -4.2560 3 1447.1978831 89503 303D8 0D8 D7 0D7 a-Alanine, conf. II
625470.0535999.9999 -4.2560 3 1447.1978831 89503 303D8 1D8 D7 1D7 a-Alanine, conf. II
625552.4047 58.2026 -4.2092 3 556.8811441 89503 303732945 722746 a-Alanine, conf. II
625562.5832 64.6514 -3.9558 3 1220.6510651 89503 303A83969 A73968 a-Alanine, conf. II
625693.7012346.1263 -4.2640 3 1428.5473783 89503 303D011B9 C911B8 a-Alanine, conf. II
625693.7012346.1263 -4.2640 3 1428.5473783 89503 303D012B9 C912B8 a-Alanine, conf. II
625695.6775 42.7685 -4.2398 3 581.4855447 89503 303743242 733043 a-Alanine, conf. II
625742.4868178.7255 -3.9608 3 1217.8360645 89503 303A74464 A64463 a-Alanine, conf. II
625769.6361 15.4044 -4.1201 3 657.5814417 89503 303695613 685514 a-Alanine, conf. II
625769.6361 15.4044 -4.1201 3 657.5814417 89503 303695614 685513 a-Alanine, conf. II
625778.0840118.2786 -4.2176 3 1382.9297735 89503 303C222A0 C12299 a-Alanine, conf. II
625778.0840118.2786 -4.2176 3 1382.9297735 89503 303C223A0 C12399 a-Alanine, conf. II
625795.2692147.8411 -4.2845 3 1354.1657663 89503 303B05654 A95653 a-Alanine, conf. II
625795.2692147.8411 -4.2845 3 1354.1657663 89503 303B05655 A95654 a-Alanine, conf. II
625803.4537 82.0361 -4.0880 3 1295.2844681 89503 303B33579 B23578 a-Alanine, conf. II
625803.4549 82.0361 -4.0880 3 1295.2844681 89503 303B33479 B23478 a-Alanine, conf. II
625831.2974 21.2829 -4.2051 3 563.4205441 89503 303733143 722944 a-Alanine, conf. II
625902.5395 7.0632 -4.3386 3 405.8703357 89503 303593623 583424 a-Alanine, conf. II
625902.5395 7.0632 -4.3386 3 405.8703357 89503 303593624 583425 a-Alanine, conf. II
625925.8328 16.6313 -4.3307 3 696.5879465 89503 303774631 764532 a-Alanine, conf. II
625925.8328 16.6313 -4.3307 3 696.5879465 89503 303774632 764531 a-Alanine, conf. II
625974.7870 6.4884 -4.2985 3 424.0079369 89503 303613526 603327 a-Alanine, conf. II
625974.7874 6.4884 -4.2985 3 424.0079369 89503 303613527 603328 a-Alanine, conf. II
626007.7946544.2944 -4.2704 3 1440.3295801 89503 303D3 7C6 D2 7C5 a-Alanine, conf. II
626007.7946544.2944 -4.2704 3 1440.3295801 89503 303D3 8C6 D2 8C5 a-Alanine, conf. II
626159.4292155.6021 -4.2440 3 1404.5557753 89503 303C518A7 C418A6 a-Alanine, conf. II
626159.4292155.6021 -4.2440 3 1404.5557753 89503 303C519A7 C419A6 a-Alanine, conf. II
626183.3277 13.0450 -4.2111 3 673.3979441 89503 303735122 725023 a-Alanine, conf. II
626183.3277 13.0450 -4.2111 3 673.3979441 89503 303735123 725022 a-Alanine, conf. II
626313.7764816.0316 -4.2698 3 1448.5590819 89503 303D6 3D3 D5 3D2 a-Alanine, conf. II
626313.7764816.0316 -4.2698 3 1448.5590819 89503 303D6 4D3 D5 4D2 a-Alanine, conf. II
626317.0982160.8468 -4.1308 3 1292.3669657 89503 303A95060 A85059 a-Alanine, conf. II
626317.3213160.8593 -4.1308 3 1292.3669657 89503 303A95059 A85058 a-Alanine, conf. II
626337.9651 20.6738 -4.0668 3 652.4567399 89503 3036660 6 6559 7 a-Alanine, conf. II
626337.9651 20.6738 -4.0668 3 652.4567399 89503 3036660 7 6559 6 a-Alanine, conf. II
626406.5701100.4063 -4.1607 3 1341.3622705 89503 303B72988 B62987 a-Alanine, conf. II
626406.5701100.4063 -4.1607 3 1341.3622705 89503 303B73088 B63087 a-Alanine, conf. II
626525.8666243.8601 -4.2629 3 1422.5783771 89503 303C814B4 C714B3 a-Alanine, conf. II
626525.8666243.8601 -4.2629 3 1422.5783771 89503 303C815B4 C715B3 a-Alanine, conf. II
626609.4025109.6420 -4.2011 3 1369.5074723 89503 303C02595 B92594 a-Alanine, conf. II
626609.4025109.6420 -4.2011 3 1369.5074723 89503 303C02695 B92694 a-Alanine, conf. II
626620.0008124.4178 -4.2287 3 673.8122483 89503 303803248 793049 a-Alanine, conf. II
626664.7621 86.9265 -4.1106 3 1309.2065687 89503 303B43381 B33380 a-Alanine, conf. II
626664.7621 86.9265 -4.1106 3 1309.2065687 89503 303B43481 B33480 a-Alanine, conf. II
626670.9919150.3053 -4.2627 3 1346.8442663 89503 303B05555 A95554 a-Alanine, conf. II
626670.9919150.3053 -4.2627 3 1346.8442663 89503 303B05556 A95555 a-Alanine, conf. II
626812.4250 66.5981 -3.8387 3 1162.1875633 89503 303A54065 A44064 a-Alanine, conf. II
626859.6652393.6550 -4.2747 3 1437.0308789 89503 303D110C1 D010C0 a-Alanine, conf. II
626859.6652393.6550 -4.2747 3 1437.0308789 89503 303D111C1 D011C0 a-Alanine, conf. II
626868.8281 9.4304 -4.2175 3 524.9462423 89503 303703238 693039 a-Alanine, conf. II
626893.7448310.8506 -3.8551 3 1168.2619633 89503 303A54263 A44262 a-Alanine, conf. II
626962.4746125.4225 -4.2333 3 1393.8826741 89503 303C321A2 C221A1 a-Alanine, conf. II
626962.4746125.4225 -4.2333 3 1393.8826741 89503 303C322A2 C222A1 a-Alanine, conf. II
626987.9362 14.4709 -4.1407 3 662.7828423 89503 303705515 695416 a-Alanine, conf. II
626987.9362 14.4709 -4.1407 3 662.7828423 89503 303705516 695415 a-Alanine, conf. II
627027.9774 6.9332 -4.2350 3 476.1265399 89503 303663333 653134 a-Alanine, conf. II
627035.7936 6.9409 -4.2350 3 476.1262399 89503 303663334 653135 a-Alanine, conf. II
627127.6346 33.0079 -4.2493 3 484.1657417 89503 303692346 682147 a-Alanine, conf. II
627169.1120611.2037 -4.2795 3 1447.9272807 89503 303D4 6C8 D3 6C7 a-Alanine, conf. II
627169.1120611.2037 -4.2795 3 1447.9272807 89503 303D4 7C8 D3 7C7 a-Alanine, conf. II
627194.5413 32.7887 -4.2492 3 484.1658417 89503 303692446 682247 a-Alanine, conf. II
627208.9503306.7305 -3.9069 3 1192.8416639 89503 303A64363 A54362 a-Alanine, conf. II
627300.7502 13.4838 -4.2371 3 680.2024447 89503 303745024 734925 a-Alanine, conf. II
627300.7502 13.4838 -4.2371 3 680.2024447 89503 303745025 734924 a-Alanine, conf. II
627319.3109108.2456 -3.9337 3 1208.9149645 89503 303A74266 A64265 a-Alanine, conf. II
627341.4236174.4051 -4.2578 3 1414.6062759 89503 303C617A9 C517A8 a-Alanine, conf. II
627341.4236174.4051 -4.2578 3 1414.6062759 89503 303C618A9 C518A8 a-Alanine, conf. II
627413.7450183.4564 -4.0255 3 1248.5645651 89503 303A84663 A74662 a-Alanine, conf. II
627479.6840905.1952 -4.2771 3 1455.2713825 89503 303D7 2D5 D6 2D4 a-Alanine, conf. II
627479.6840905.1952 -4.2771 3 1455.2713825 89503 303D7 3D5 D6 3D4 a-Alanine, conf. II
627495.5493153.9910 -3.9450 3 1213.2777645 89503 303A74365 A64364 a-Alanine, conf. II
627522.8243104.0610 -4.1800 3 1353.9723711 89503 303B82890 B72889 a-Alanine, conf. II
627522.8243104.0610 -4.1800 3 1353.9723711 89503 303B82990 B72989 a-Alanine, conf. II
627593.6597 19.0968 -4.0840 3 656.4567405 89503 3036759 8 6658 9 a-Alanine, conf. II
627593.6597 19.0968 -4.0840 3 656.4567405 89503 3036759 9 6658 8 a-Alanine, conf. II
627611.6067 91.7532 -4.1325 3 1322.8538693 89503 303B53283 B43282 a-Alanine, conf. II
627611.6067 91.7532 -4.1325 3 1322.8538693 89503 303B53383 B43382 a-Alanine, conf. II
627623.7950153.1692 -4.2413 3 1339.7155663 89503 303B05457 A95456 a-Alanine, conf. II
627623.7951153.1692 -4.2413 3 1339.7155663 89503 303B05456 A95455 a-Alanine, conf. II
627635.5135192.5788 -4.0252 3 1248.5719651 89503 303A84662 A74661 a-Alanine, conf. II
627698.2012278.6350 -4.2751 3 1431.7371777 89503 303C913B6 C813B5 a-Alanine, conf. II
627698.2012278.6350 -4.2751 3 1431.7371777 89503 303C914B6 C814B5 a-Alanine, conf. II
627781.5335113.2933 -4.2183 3 1381.1610729 89503 303C12497 C02496 a-Alanine, conf. II
627781.5335113.2933 -4.2183 3 1381.1610729 89503 303C12597 C02596 a-Alanine, conf. II
627852.6579167.3658 -4.1113 3 1286.2620657 89503 303A94961 A84960 a-Alanine, conf. II
627854.3781167.4565 -4.1113 3 1286.2621657 89503 303A94960 A84959 a-Alanine, conf. II
628023.3832446.2635 -4.2851 3 1445.3026795 89503 303D2 9C3 D1 9C2 a-Alanine, conf. II
628023.3832446.2635 -4.2851 3 1445.3026795 89503 303D210C3 D110C2 a-Alanine, conf. II
628094.0407 25.6747 -4.0389 3 654.3137387 89503 3036463 1 6362 2 a-Alanine, conf. II
628094.0407 25.6747 -4.0389 3 654.3137387 89503 3036463 2 6362 1 a-Alanine, conf. II
628146.6842134.9504 -4.2486 3 1404.6183747 89503 303C420A4 C320A3 a-Alanine, conf. II
628146.6842134.9504 -4.2486 3 1404.6183747 89503 303C421A4 C321A3 a-Alanine, conf. II
628167.8650 29.8653 -4.2343 3 566.9355441 89503 303733241 723042 a-Alanine, conf. II
628183.4076 8.2113 -4.2158 3 524.9001423 89503 303703239 693040 a-Alanine, conf. II
628190.4525 13.8000 -4.1624 3 668.3388429 89503 303715417 705318 a-Alanine, conf. II
628190.4525 13.8000 -4.1624 3 668.3388429 89503 303715418 705317 a-Alanine, conf. II
628285.5544 68.3833 -4.0204 3 1257.2396663 89503 303B03972 A93971 a-Alanine, conf. II
628330.5617683.9652 -4.2881 3 1455.3133813 89503 303D5 5D0 D4 5C9 a-Alanine, conf. II
628330.5617683.9652 -4.2881 3 1455.3133813 89503 303D5 6D0 D4 6C9 a-Alanine, conf. II
628330.6095 68.4915 -4.0203 3 1257.2366663 89503 303B03872 A93871 a-Alanine, conf. II
628337.6411 72.1511 -4.0476 3 1272.4957669 89503 303B13874 B03873 a-Alanine, conf. II
628340.9785 72.1673 -4.0476 3 1272.4955669 89503 303B13774 B03773 a-Alanine, conf. II
628341.7485 17.1887 -4.2999 3 446.3836405 89503 303672047 661848 a-Alanine, conf. II
628342.2416 17.1875 -4.2999 3 446.3836405 89503 303672147 661948 a-Alanine, conf. II
628381.6234 14.2274 -4.2645 3 687.3788453 89503 303754926 744827 a-Alanine, conf. II
628381.6234 14.2274 -4.2645 3 687.3788453 89503 303754927 744826 a-Alanine, conf. II
628442.1507 12.8356 -4.2219 3 538.6819429 89503 303713239 703040 a-Alanine, conf. II
628485.0530264.9820 -3.9569 3 1217.9507645 89503 303A74463 A64462 a-Alanine, conf. II
628520.4100197.2588 -4.2713 3 1424.4429765 89503 303C716B1 C616B0 a-Alanine, conf. II
628520.4100197.2588 -4.2713 3 1424.4429765 89503 303C717B1 C617B0 a-Alanine, conf. II
628621.3016 96.3835 -4.1537 3 1336.2386699 89503 303B63185 B53184 a-Alanine, conf. II
628621.3016 96.3835 -4.1537 3 1336.2386699 89503 303B63285 B53284 a-Alanine, conf. II
628649.0788999.9999 -4.2840 3 1461.7720831 89503 303D8 1D7 D7 1D6 a-Alanine, conf. II
628649.0788999.9999 -4.2840 3 1461.7720831 89503 303D8 2D7 D7 2D6 a-Alanine, conf. II
628659.5923107.4631 -4.1988 3 1366.3474717 89503 303B92792 B82791 a-Alanine, conf. II
628659.5923107.4631 -4.1988 3 1366.3474717 89503 303B92892 B82891 a-Alanine, conf. II
628666.2069156.5324 -4.2203 3 1332.7852663 89503 303B05358 A95357 a-Alanine, conf. II
628666.2076156.5325 -4.2203 3 1332.7852663 89503 303B05357 A95356 a-Alanine, conf. II
628673.5122 65.1718 -3.9912 3 1241.5520657 89503 303A94070 A84069 a-Alanine, conf. II
628728.7449 76.4274 -4.0734 3 1287.3760675 89503 303B23776 B13775 a-Alanine, conf. II
628728.9509 76.4290 -4.0734 3 1287.3760675 89503 303B23676 B13675 a-Alanine, conf. II
628731.6692 89.9721 -3.8780 3 1183.0957639 89503 303A64066 A54065 a-Alanine, conf. II
628840.6506 17.6618 -4.1021 3 660.8033411 89503 303685810 675711 a-Alanine, conf. II
628840.6506 17.6618 -4.1021 3 660.8033411 89503 303685811 675710 a-Alanine, conf. II
628867.3813318.0795 -4.2868 3 1440.6837783 89503 303D012B8 C912B7 a-Alanine, conf. II
628867.3813318.0795 -4.2868 3 1440.6837783 89503 303D013B8 C913B7 a-Alanine, conf. II
628958.6143117.7393 -4.2351 3 1392.5923735 89503 303C22399 C12398 a-Alanine, conf. II
628958.6143117.7393 -4.2351 3 1392.5923735 89503 303C22499 C12498 a-Alanine, conf. II
628996.2980 19.4428 -4.2277 3 552.6727435 89503 303723240 713041 a-Alanine, conf. II
629061.7600 68.1547 -3.9609 3 1225.3966651 89503 303A84168 A74167 a-Alanine, conf. II
629158.3998 66.1424 -3.9905 3 1241.5175657 89503 303A93970 A83969 a-Alanine, conf. II
629185.4488504.1571 -4.2951 3 1453.3626801 89503 303D3 8C5 D2 8C4 a-Alanine, conf. II
629185.4488504.1571 -4.2951 3 1453.3626801 89503 303D3 9C5 D2 9C4 a-Alanine, conf. II
629299.7511 84.0721 -4.2377 3 553.2823441 89503 303732746 722547 a-Alanine, conf. II
629329.6474147.4439 -4.2634 3 1415.1378753 89503 303C519A6 C419A5 a-Alanine, conf. II
629329.6474147.4439 -4.2634 3 1415.1378753 89503 303C520A6 C420A5 a-Alanine, conf. II
629345.6035 81.1348 -4.0979 3 1301.9211681 89503 303B33678 B23677 a-Alanine, conf. II
629345.6144 81.1349 -4.0979 3 1301.9211681 89503 303B33578 B23577 a-Alanine, conf. II
629365.5314 23.7998 -4.0540 3 657.4760393 89503 3036562 3 6461 4 a-Alanine, conf. II
629365.5314 23.7998 -4.0540 3 657.4760393 89503 3036562 4 6461 3 a-Alanine, conf. II
629374.1677 13.4299 -4.1851 3 674.2524435 89503 303725319 715220 a-Alanine, conf. II
629374.1677 13.4299 -4.1851 3 674.2524435 89503 303725320 715219 a-Alanine, conf. II
629418.0371 15.2413 -4.2934 3 694.9328459 89503 303764828 754729 a-Alanine, conf. II
629418.0371 15.2413 -4.2934 3 694.9328459 89503 303764829 754728 a-Alanine, conf. II
629493.0283762.8380 -4.2963 3 1462.4878819 89503 303D6 4D2 D5 4D1 a-Alanine, conf. II
629493.0283762.8380 -4.2963 3 1462.4878819 89503 303D6 5D2 D5 5D1 a-Alanine, conf. II
629537.2955 40.5037 -4.2429 3 501.1784423 89503 303702446 692247 a-Alanine, conf. II
629599.3634 6.6230 -4.2618 3 455.3222387 89503 303643430 633231 a-Alanine, conf. II
629599.4858 6.6231 -4.2618 3 455.3222387 89503 303643431 633232 a-Alanine, conf. II
629614.7301175.6524 -4.0921 3 1280.4013657 89503 303A94862 A84861 a-Alanine, conf. II
629626.7960176.2457 -4.0921 3 1280.4017657 89503 303A94861 A84860 a-Alanine, conf. II
629677.6823100.7270 -4.1743 3 1349.3704705 89503 303B73087 B63086 a-Alanine, conf. II
629677.6823100.7270 -4.1743 3 1349.3704705 89503 303B73187 B63186 a-Alanine, conf. II
629696.1983224.3933 -4.2844 3 1434.0664771 89503 303C815B3 C715B2 a-Alanine, conf. II
629696.1983224.3933 -4.2844 3 1434.0664771 89503 303C816B3 C716B2 a-Alanine, conf. II
629765.3097 39.7000 -4.2426 3 501.1786423 89503 303702546 692347 a-Alanine, conf. II
629811.2830110.7522 -4.2171 3 1378.4918723 89503 303C02694 B92693 a-Alanine, conf. II
629811.2830110.7522 -4.2171 3 1378.4918723 89503 303C02794 B92793 a-Alanine, conf. II
629814.2850160.5335 -4.1998 3 1326.0599663 89503 303B05259 A95258 a-Alanine, conf. II
629814.2920160.5339 -4.1998 3 1326.0599663 89503 303B05258 A95257 a-Alanine, conf. II
629823.0898999.9999 -4.2905 3 1468.0612837 89503 303D9 0D9 D8 0D8 a-Alanine, conf. II
629823.0898999.9999 -4.2905 3 1468.0612837 89503 303D9 1D9 D8 1D8 a-Alanine, conf. II
629925.8018190.5661 -4.0071 3 1243.4798651 89503 303A84564 A74563 a-Alanine, conf. II
630033.7331362.3579 -4.2981 3 1449.4182789 89503 303D111C0 D011B9 a-Alanine, conf. II
630033.7331362.3579 -4.2981 3 1449.4182789 89503 303D112C0 D012B9 a-Alanine, conf. II
630077.3998 16.3979 -4.1212 3 665.4982417 89503 303695712 685613 a-Alanine, conf. II
630077.3998 16.3979 -4.1212 3 665.4982417 89503 303695713 685612 a-Alanine, conf. II
630116.4997 86.0959 -4.1215 3 1316.1589687 89503 303B43580 B33579 a-Alanine, conf. II
630116.5001 86.0959 -4.1215 3 1316.1589687 89503 303B43480 B33479 a-Alanine, conf. II
630138.4316123.4994 -4.2513 3 1403.8034741 89503 303C322A1 C222A0 a-Alanine, conf. II
630138.4316123.4994 -4.2513 3 1403.8034741 89503 303C323A1 C223A0 a-Alanine, conf. II
630249.3063 53.1541 -4.2146 3 574.4752447 89503 303743045 732846 a-Alanine, conf. II
630346.5423567.5571 -4.3047 3 1461.2108807 89503 303D4 7C7 D3 7C6 a-Alanine, conf. II
630346.5423567.5571 -4.3047 3 1461.2108807 89503 303D4 8C7 D3 8C6 a-Alanine, conf. II
630400.0097 16.4865 -4.3240 3 702.8708465 89503 303774730 764631 a-Alanine, conf. II
630400.0097 16.4865 -4.3240 3 702.8708465 89503 303774731 764630 a-Alanine, conf. II
630510.5883163.4064 -4.2779 3 1425.4422759 89503 303C618A8 C518A7 a-Alanine, conf. II
630510.5883163.4064 -4.2779 3 1425.4422759 89503 303C619A8 C519A7 a-Alanine, conf. II
630535.4182 13.3877 -4.2090 3 680.5268441 89503 303735221 725122 a-Alanine, conf. II
630535.4182 13.3877 -4.2090 3 680.5268441 89503 303735222 725121 a-Alanine, conf. II
630574.5393 93.7342 -3.9167 3 1204.0679645 89503 303A74067 A64066 a-Alanine, conf. II
630631.1270 22.0234 -4.0698 3 660.9806399 89503 3036661 5 6560 6 a-Alanine, conf. II
630631.1270 22.0234 -4.0698 3 660.9806399 89503 3036661 6 6560 5 a-Alanine, conf. II
630657.4681848.0942 -4.3042 3 1469.4506825 89503 303D7 3D4 D6 3D3 a-Alanine, conf. II
630657.4681848.0942 -4.3042 3 1469.4506825 89503 303D7 4D4 D6 4D3 a-Alanine, conf. II
630694.3397 6.5946 -4.2934 3 435.6711375 89503 303623527 613328 a-Alanine, conf. II
630694.3409 6.5946 -4.2934 3 435.6711375 89503 303623528 613329 a-Alanine, conf. II
630768.8900104.7412 -4.1943 3 1362.2569711 89503 303B82989 B72988 a-Alanine, conf. II
630768.8900104.7412 -4.1943 3 1362.2569711 89503 303B83089 B73088 a-Alanine, conf. II
630825.2596 7.0300 -4.3309 3 417.1108363 89503 303603624 593425 a-Alanine, conf. II
630825.2596 7.0300 -4.3309 3 417.1108363 89503 303603625 593426 a-Alanine, conf. II
630868.7615255.9918 -4.2970 3 1443.4769777 89503 303C914B5 C814B4 a-Alanine, conf. II
630868.7615255.9918 -4.2970 3 1443.4769777 89503 303C915B5 C815B4 a-Alanine, conf. II
630869.6392153.6545 -4.3355 3 1382.5225669 89503 303B15754 B05753 a-Alanine, conf. II
630869.6392153.6545 -4.3355 3 1382.5225669 89503 303B15755 B05754 a-Alanine, conf. II
630873.4286 7.2540 -4.2351 3 488.8897405 89503 303673334 663135 a-Alanine, conf. II
630892.0604 7.2724 -4.2351 3 488.8890405 89503 303673335 663136 a-Alanine, conf. II
630921.5699 9.5080 -4.3501 3 425.3383399 89503 303661848 651649 a-Alanine, conf. II
630921.5791 9.5079 -4.3501 3 425.3383399 89503 303661948 651749 a-Alanine, conf. II
630973.5496114.1579 -4.2348 3 1390.4089729 89503 303C12596 C02595 a-Alanine, conf. II
630973.5496114.1579 -4.2348 3 1390.4089729 89503 303C12696 C02695 a-Alanine, conf. II
630996.3594 91.1222 -4.1442 3 1330.1098693 89503 303B53382 B43381 a-Alanine, conf. II
630996.3594 91.1222 -4.1442 3 1330.1098693 89503 303B53482 B43481 a-Alanine, conf. II
631015.3126 8.7453 -4.2189 3 538.5910429 89503 303713240 703041 a-Alanine, conf. II
631046.5321231.7048 -4.0055 3 1243.5223651 89503 303A84563 A74562 a-Alanine, conf. II
631089.1632165.3704 -4.1796 3 1319.5477663 89503 303B05160 A95159 a-Alanine, conf. II
631089.2249165.3742 -4.1796 3 1319.5477663 89503 303B05159 A95158 a-Alanine, conf. II
631119.1631 50.0968 -4.2386 3 518.3746429 89503 303712546 702347 a-Alanine, conf. II
631197.6909411.6480 -4.3090 3 1457.9406795 89503 303D210C2 D110C1 a-Alanine, conf. II
631197.6909411.6480 -4.3090 3 1457.9406795 89503 303D211C2 D111C1 a-Alanine, conf. II
631225.7881 30.7998 -4.2147 3 577.7473447 89503 303743144 732945 a-Alanine, conf. II
631302.0632 15.3408 -4.1412 3 670.5438423 89503 303705614 695515 a-Alanine, conf. II
631302.0632 15.3408 -4.1412 3 670.5438423 89503 303705615 695514 a-Alanine, conf. II
631319.2668131.1667 -4.2672 3 1414.7958747 89503 303C421A3 C321A2 a-Alanine, conf. II
631319.2668131.1667 -4.2672 3 1414.7958747 89503 303C422A3 C322A2 a-Alanine, conf. II
631362.7293 63.5865 -4.2367 3 535.7463435 89503 303722646 712447 a-Alanine, conf. II
631507.4261636.6995 -4.3139 3 1468.8474813 89503 303D5 6C9 D4 6C8 a-Alanine, conf. II
631507.4261636.6995 -4.3139 3 1468.8474813 89503 303D5 7C9 D4 7C8 a-Alanine, conf. II
631664.7993185.9516 -4.0731 3 1274.8036657 89503 303A94763 A84762 a-Alanine, conf. II
631669.7323 13.6813 -4.2342 3 687.1659447 89503 303745123 735024 a-Alanine, conf. II
631669.7323 13.6813 -4.2342 3 687.1659447 89503 303745124 735023 a-Alanine, conf. II
631688.9756183.2375 -4.2919 3 1435.5321765 89503 303C717B0 C617A9 a-Alanine, conf. II
631688.9756183.2375 -4.2919 3 1435.5321765 89503 303C718B0 C618A9 a-Alanine, conf. II
631709.4194156.0353 -4.3133 3 1375.0400669 89503 303B15655 B05654 a-Alanine, conf. II
631709.4194156.0353 -4.3133 3 1375.0400669 89503 303B15656 B05655 a-Alanine, conf. II
631740.8524189.4109 -4.0730 3 1274.8061657 89503 303A94762 A84761 a-Alanine, conf. II
631813.0947175.7946 -4.2615 3 655.2036477 89503 303793148 782949 a-Alanine, conf. II
631824.9064940.0183 -4.3116 3 1476.2018831 89503 303D8 2D6 D7 2D5 a-Alanine, conf. II
631824.9064940.0183 -4.3116 3 1476.2018831 89503 303D8 3D6 D7 3D5 a-Alanine, conf. II
631843.7339 47.3948 -4.2377 3 518.3756429 89503 303712646 702447 a-Alanine, conf. II
631886.0283108.4393 -4.2137 3 1374.9042717 89503 303B92891 B82890 a-Alanine, conf. II
631886.0283108.4393 -4.2137 3 1374.9042717 89503 303B92991 B82990 a-Alanine, conf. II
631889.8636 20.3606 -4.0866 3 664.8291405 89503 3036760 7 6659 8 a-Alanine, conf. II
631889.8636 20.3606 -4.0866 3 664.8291405 89503 3036760 8 6659 7 a-Alanine, conf. II
631955.3314 96.0497 -4.1662 3 1343.7887699 89503 303B63284 B53283 a-Alanine, conf. II
631955.3314 96.0497 -4.1662 3 1343.7887699 89503 303B63384 B53383 a-Alanine, conf. II
632038.2171292.2164 -4.3093 3 1452.6749783 89503 303D013B7 C913B6 a-Alanine, conf. II
632038.2171292.2164 -4.3093 3 1452.6749783 89503 303D014B7 C914B6 a-Alanine, conf. II
632142.9936118.0130 -4.2522 3 1402.1016735 89503 303C22498 C12497 a-Alanine, conf. II
632142.9936118.0130 -4.2522 3 1402.1016735 89503 303C22598 C12597 a-Alanine, conf. II
632152.0404166.3286 -3.8335 3 1165.1026633 89503 303A54164 A44163 a-Alanine, conf. II
632247.6612 21.9313 -4.2874 3 463.0762411 89503 303682147 671948 a-Alanine, conf. II
632249.7479 21.9252 -4.2874 3 463.0762411 89503 303682247 672048 a-Alanine, conf. II
632282.8539181.5461 -3.9897 3 1238.7086651 89503 303A84465 A74464 a-Alanine, conf. II
632345.9233 96.0901 -3.9660 3 1229.8401651 89503 303A84267 A74266 a-Alanine, conf. II
632359.7885466.1430 -4.3195 3 1466.2512801 89503 303D3 9C4 D2 9C3 a-Alanine, conf. II
632359.7885466.1430 -4.3195 3 1466.2512801 89503 303D310C4 D210C3 a-Alanine, conf. II
632375.5687 33.4638 -4.2520 3 676.2786483 89503 303803347 793148 a-Alanine, conf. II
632380.1801 71.7399 -4.0544 3 1278.1969669 89503 303B13973 B03972 a-Alanine, conf. II
632381.4044 27.2395 -4.0433 3 663.2844387 89503 3036464 0 6363 1 a-Alanine, conf. II
632381.4044 27.2395 -4.0433 3 663.2844387 89503 3036464 1 6363 0 a-Alanine, conf. II
632402.9956 71.8089 -4.0544 3 1278.1954669 89503 303B13873 B03872 a-Alanine, conf. II
632499.8038141.3582 -4.2826 3 1425.5710753 89503 303C520A5 C420A4 a-Alanine, conf. II
632499.8038141.3582 -4.2826 3 1425.5710753 89503 303C521A5 C421A4 a-Alanine, conf. II
632512.4260 14.5313 -4.1622 3 675.9424429 89503 303715516 705417 a-Alanine, conf. II
632512.4260 14.5313 -4.1622 3 675.9424429 89503 303715517 705416 a-Alanine, conf. II
632519.5131171.3345 -4.1599 3 1313.2586663 89503 303B05061 A95060 a-Alanine, conf. II
632520.0128171.3632 -4.1599 3 1313.2586663 89503 303B05060 A95059 a-Alanine, conf. II
632526.7464 75.7392 -4.0815 3 1293.4548675 89503 303B23875 B13874 a-Alanine, conf. II
632528.3556 75.7485 -4.0815 3 1293.4547675 89503 303B23775 B13774 a-Alanine, conf. II
632620.2079158.7853 -4.2916 3 1367.7477669 89503 303B15556 B05555 a-Alanine, conf. II
632620.2079158.7853 -4.2916 3 1367.7477669 89503 303B15557 B05556 a-Alanine, conf. II
632663.1164 68.2372 -4.0256 3 1262.5222663 89503 303B04071 A94070 a-Alanine, conf. II
632668.9406711.8346 -4.3226 3 1476.2722819 89503 303D6 5D1 D5 5D0 a-Alanine, conf. II
632668.9406711.8346 -4.3226 3 1476.2722819 89503 303D6 6D1 D5 6D0 a-Alanine, conf. II
632765.5881 85.9305 -3.9544 3 1225.1016651 89503 303A84068 A74067 a-Alanine, conf. II
632771.6156 14.2975 -4.2608 3 694.1740453 89503 303755025 744926 a-Alanine, conf. II
632771.6156 14.2975 -4.2608 3 694.1740453 89503 303755026 744925 a-Alanine, conf. II
632864.4873207.2381 -4.3055 3 1445.4081771 89503 303C816B2 C716B1 a-Alanine, conf. II
632864.4873207.2381 -4.3055 3 1445.4081771 89503 303C817B2 C717B1 a-Alanine, conf. II
632925.1672 68.7127 -4.0251 3 1262.5040663 89503 303B03971 A93970 a-Alanine, conf. II
632972.7053100.7523 -4.1875 3 1357.2071705 89503 303B73186 B63185 a-Alanine, conf. II
632972.7053100.7523 -4.1875 3 1357.2071705 89503 303B73286 B63285 a-Alanine, conf. II
632978.6339 80.2553 -4.1072 3 1308.3481681 89503 303B33777 B23776 a-Alanine, conf. II
632978.7292 80.2562 -4.1072 3 1308.3481681 89503 303B33677 B23676 a-Alanine, conf. II
632996.4363999.9999 -4.3187 3 1482.7415837 89503 303D9 1D8 D8 1D7 a-Alanine, conf. II
632996.4363999.9999 -4.3187 3 1482.7415837 89503 303D9 2D8 D8 2D7 a-Alanine, conf. II
633022.3100111.8997 -4.2326 3 1387.3172723 89503 303C02793 B92792 a-Alanine, conf. II
633022.3100111.8997 -4.2326 3 1387.3172723 89503 303C02893 B92892 a-Alanine, conf. II
633140.5898 18.8315 -4.1042 3 669.0231411 89503 3036859 9 675810 a-Alanine, conf. II
633140.5898 18.8315 -4.1042 3 669.0231411 89503 303685910 6758 9 a-Alanine, conf. II
633190.5890 67.6559 -3.9950 3 1246.3798657 89503 303A94169 A84168 a-Alanine, conf. II
633204.8113333.2266 -4.3211 3 1461.6604789 89503 303D112B9 D012B8 a-Alanine, conf. II
633204.8113333.2266 -4.3211 3 1461.6604789 89503 303D113B9 D013B8 a-Alanine, conf. II
633308.1814140.2412 -4.2633 3 603.3584459 89503 303762947 752748 a-Alanine, conf. II
633316.9540122.7598 -4.2690 3 1413.5721741 89503 303C323A0 C22399 a-Alanine, conf. II
633316.9540122.7598 -4.2690 3 1413.5721741 89503 303C324A0 C22499 a-Alanine, conf. II
633424.6896 30.5409 -4.2443 3 692.4021489 89503 303813348 803149 a-Alanine, conf. II
633442.7541144.9326 -3.9753 3 1234.2087651 89503 303A84366 A74365 a-Alanine, conf. II
633490.1784 55.3894 -4.2343 3 535.7501435 89503 303722746 712547 a-Alanine, conf. II
633520.6516526.0527 -4.3296 3 1474.3500807 89503 303D4 8C6 D3 8C5 a-Alanine, conf. II
633520.6516526.0527 -4.3296 3 1474.3500807 89503 303D4 9C6 D3 9C5 a-Alanine, conf. II
633612.9165161.9914 -4.2704 3 1360.6508669 89503 303B15458 B05457 a-Alanine, conf. II
633612.9167161.9914 -4.2704 3 1360.6508669 89503 303B15457 B05456 a-Alanine, conf. II
633634.2516 85.1733 -4.1318 3 1322.9138687 89503 303B43679 B33678 a-Alanine, conf. II
633634.2565 85.1733 -4.1318 3 1322.9138687 89503 303B43579 B33578 a-Alanine, conf. II
633654.7433 25.2896 -4.0579 3 666.2972393 89503 3036563 2 6462 3 a-Alanine, conf. II
633654.7433 25.2896 -4.0579 3 666.2972393 89503 3036563 3 6462 2 a-Alanine, conf. II
633679.0582154.6557 -4.2976 3 1436.1300759 89503 303C619A7 C519A6 a-Alanine, conf. II
633679.0582154.6557 -4.2976 3 1436.1300759 89503 303C620A7 C520A6 a-Alanine, conf. II
633705.8204 14.0103 -4.1844 3 681.6967435 89503 303725418 715319 a-Alanine, conf. II
633705.8204 14.0103 -4.1844 3 681.6967435 89503 303725419 715318 a-Alanine, conf. II
633819.1753 9.4891 -4.2227 3 552.5009435 89503 303723241 713042 a-Alanine, conf. II
633832.0003793.2265 -4.3310 3 1483.4854825 89503 303D7 4D3 D6 4D2 a-Alanine, conf. II
633832.0003793.2265 -4.3310 3 1483.4854825 89503 303D7 5D3 D6 5D2 a-Alanine, conf. II
633834.2630 15.2066 -4.2887 3 701.5562459 89503 303764927 754828 a-Alanine, conf. II
633834.2630 15.2066 -4.2887 3 701.5562459 89503 303764928 754827 a-Alanine, conf. II
633938.8063 6.9047 -4.2600 3 467.6267393 89503 303653431 643232 a-Alanine, conf. II
633939.1328 6.9050 -4.2600 3 467.6266393 89503 303653432 643233 a-Alanine, conf. II
634033.5920105.1484 -4.2081 3 1370.3742711 89503 303B83088 B73087 a-Alanine, conf. II
634033.5920105.1484 -4.2081 3 1370.3742711 89503 303B83188 B73187 a-Alanine, conf. II
634036.9825235.6347 -4.3187 3 1455.0708777 89503 303C915B4 C815B3 a-Alanine, conf. II
634036.9825235.6347 -4.3187 3 1455.0708777 89503 303C916B4 C816B3 a-Alanine, conf. II
634039.8225196.5954 -4.0543 3 1269.4927657 89503 303A94664 A84663 a-Alanine, conf. II
634145.2559178.8460 -4.1404 3 1307.2049663 89503 303B04962 A94961 a-Alanine, conf. II
634148.9630179.0451 -4.1404 3 1307.2050663 89503 303B04961 A94960 a-Alanine, conf. II
634172.4918115.2797 -4.2510 3 1399.5000729 89503 303C12695 C02694 a-Alanine, conf. II
634172.4918115.2797 -4.2510 3 1399.5000729 89503 303C12795 C02794 a-Alanine, conf. II
634173.2164999.9999 -4.3253 3 1489.0699843 89503 303E0 0E0 D9 0D9 a-Alanine, conf. II
634173.2164999.9999 -4.3253 3 1489.0699843 89503 303E0 1E0 D9 1D9 a-Alanine, conf. II
634368.9072379.1902 -4.3326 3 1470.4338795 89503 303D211C1 D111C0 a-Alanine, conf. II
634368.9072379.1902 -4.3326 3 1470.4338795 89503 303D212C1 D112C0 a-Alanine, conf. II
634381.9298 17.4625 -4.1228 3 673.5643417 89503 303695811 685712 a-Alanine, conf. II
634381.9298 17.4625 -4.1228 3 673.5643417 89503 303695812 685711 a-Alanine, conf. II
634430.4371 90.3043 -4.1554 3 1337.1774693 89503 303B53581 B43580 a-Alanine, conf. II
634430.4373 90.3043 -4.1554 3 1337.1774693 89503 303B53481 B43480 a-Alanine, conf. II
634462.0865214.0875 -4.0537 3 1269.5076657 89503 303A94663 A84662 a-Alanine, conf. II
634493.3536128.9397 -4.2855 3 1424.8225747 89503 303C422A2 C322A1 a-Alanine, conf. II
634493.3536128.9397 -4.2855 3 1424.8225747 89503 303C423A2 C323A1 a-Alanine, conf. II
634548.7488 7.5797 -4.2361 3 501.8667411 89503 303683335 673136 a-Alanine, conf. II
634591.9368 7.6189 -4.2360 3 501.8652411 89503 303683336 673137 a-Alanine, conf. II
634680.9923591.6025 -4.3393 3 1482.2369813 89503 303D5 7C8 D4 7C7 a-Alanine, conf. II
634680.9923591.6025 -4.3393 3 1482.2369813 89503 303D5 8C8 D4 8C7 a-Alanine, conf. II
634701.3342165.7720 -4.2496 3 1353.7552669 89503 303B15359 B05358 a-Alanine, conf. II
634701.3360165.7721 -4.2496 3 1353.7552669 89503 303B15358 B05357 a-Alanine, conf. II
634849.1640 16.3708 -4.3183 3 709.3181465 89503 303774829 764730 a-Alanine, conf. II
634849.1640 16.3708 -4.3183 3 709.3181465 89503 303774830 764729 a-Alanine, conf. II
634856.3240171.5565 -4.3122 3 1446.4737765 89503 303C718A9 C618A8 a-Alanine, conf. II
634856.3240171.5565 -4.3122 3 1446.4737765 89503 303C719A9 C619A8 a-Alanine, conf. II
634879.0208 13.8116 -4.2076 3 687.8098441 89503 303735320 725221 a-Alanine, conf. II
634879.0208 13.8116 -4.2076 3 687.8098441 89503 303735321 725220 a-Alanine, conf. II
634922.5818 23.4346 -4.0734 3 669.6516399 89503 3036662 4 6561 5 a-Alanine, conf. II
634922.5818 23.4346 -4.0734 3 669.6516399 89503 3036662 5 6561 4 a-Alanine, conf. II
634967.8736 62.4219 -4.2323 3 553.2950441 89503 303732846 722647 a-Alanine, conf. II
634997.5913881.1520 -4.3390 3 1490.4870831 89503 303D8 3D5 D7 3D4 a-Alanine, conf. II
634997.5913881.1520 -4.3390 3 1490.4870831 89503 303D8 4D5 D7 4D4 a-Alanine, conf. II
635126.9937109.2057 -4.2282 3 1383.2971717 89503 303B92990 B82989 a-Alanine, conf. II
635126.9937109.2057 -4.2282 3 1383.2971717 89503 303B93090 B83089 a-Alanine, conf. II
635127.3299 62.3283 -4.2692 3 660.3225477 89503 303793346 783147 a-Alanine, conf. II
635206.4790268.6092 -4.3315 3 1464.5204783 89503 303D014B6 C914B5 a-Alanine, conf. II
635206.4790268.6092 -4.3315 3 1464.5204783 89503 303D015B6 C915B5 a-Alanine, conf. II
635326.9445 95.4607 -4.1781 3 1351.1576699 89503 303B63383 B53382 a-Alanine, conf. II
635326.9445 95.4607 -4.1781 3 1351.1576699 89503 303B63483 B53482 a-Alanine, conf. II
635332.4899118.8303 -4.2689 3 1411.4559735 89503 303C22597 C12596 a-Alanine, conf. II
635332.4899118.8303 -4.2689 3 1411.4559735 89503 303C22697 C12696 a-Alanine, conf. II
635348.3517 6.7507 -4.2895 3 447.5369381 89503 303633528 623329 a-Alanine, conf. II
635348.3554 6.7507 -4.2895 3 447.5369381 89503 303633529 623330 a-Alanine, conf. II
635431.8775 77.7448 -3.9913 3 1246.2084657 89503 303A94069 A84068 a-Alanine, conf. II
635432.2785 13.1707 -4.3328 3 441.8804405 89503 303671948 661749 a-Alanine, conf. II
635432.3236 13.1706 -4.3328 3 441.8804405 89503 303672048 661849 a-Alanine, conf. II
635530.9740430.2886 -4.3436 3 1478.9951801 89503 303D310C3 D210C2 a-Alanine, conf. II
635530.9740430.2886 -4.3436 3 1478.9951801 89503 303D311C3 D211C2 a-Alanine, conf. II
635612.2382 16.2868 -4.1423 3 678.4548423 89503 303705713 695614 a-Alanine, conf. II
635612.2382 16.2868 -4.1423 3 678.4548423 89503 303705714 695613 a-Alanine, conf. II
635670.5848137.1621 -4.3014 3 1435.8544753 89503 303C521A4 C421A3 a-Alanine, conf. II
635670.5848137.1621 -4.3014 3 1435.8544753 89503 303C522A4 C422A3 a-Alanine, conf. II
635698.9537 7.0385 -4.3243 3 428.5511369 89503 303613625 603426 a-Alanine, conf. II
635698.9537 7.0385 -4.3243 3 428.5511369 89503 303613626 603427 a-Alanine, conf. II
635701.5122294.8642 -3.8788 3 1189.1728639 89503 303A64264 A54263 a-Alanine, conf. II
635824.2871 27.3908 -4.2774 3 479.9695417 89503 303692247 682048 a-Alanine, conf. II
635832.6073 27.3639 -4.2774 3 479.9696417 89503 303692347 682148 a-Alanine, conf. II
635903.3027170.2931 -4.2291 3 1347.0682669 89503 303B15260 B05259 a-Alanine, conf. II
635903.3193170.2942 -4.2291 3 1347.0682669 89503 303B15259 B05258 a-Alanine, conf. II
636021.1064188.3854 -4.1213 3 1301.4030663 89503 303B04863 A94862 a-Alanine, conf. II
636028.1090 13.9527 -4.2321 3 694.2852447 89503 303745222 735123 a-Alanine, conf. II
636028.1090 13.9527 -4.2321 3 694.2852447 89503 303745223 735122 a-Alanine, conf. II
636031.1303192.4524 -4.3263 3 1456.6029771 89503 303C817B1 C717B0 a-Alanine, conf. II
636031.1303192.4524 -4.3263 3 1456.6029771 89503 303C818B1 C718B0 a-Alanine, conf. II
636046.0314189.6308 -4.1212 3 1301.4038663 89503 303B04862 A94861 a-Alanine, conf. II
636166.7687975.9006 -4.3466 3 1497.2772837 89503 303D9 2D7 D8 2D6 a-Alanine, conf. II
636166.7687975.9006 -4.3466 3 1497.2772837 89503 303D9 3D7 D8 3D6 a-Alanine, conf. II
636184.0532 21.6878 -4.0897 3 673.3491405 89503 3036761 6 6660 7 a-Alanine, conf. II
636184.0532 21.6878 -4.0897 3 673.3491405 89503 3036761 7 6660 6 a-Alanine, conf. II
636244.6171112.9496 -4.2478 3 1395.9817723 89503 303C02892 B92891 a-Alanine, conf. II
636244.6171112.9496 -4.2478 3 1395.9817723 89503 303C02992 B92991 a-Alanine, conf. II
636296.7437100.4838 -4.2002 3 1364.8684705 89503 303B73285 B63284 a-Alanine, conf. II
636296.7437100.4838 -4.2002 3 1364.8684705 89503 303B73385 B63384 a-Alanine, conf. II
636329.5424345.8106 -3.9311 3 1213.7630645 89503 303A74364 A64363 a-Alanine, conf. II
636373.1356306.3252 -4.3439 3 1473.7574789 89503 303D113B8 D013B7 a-Alanine, conf. II
636373.1356306.3252 -4.3439 3 1473.7574789 89503 303D114B8 D014B7 a-Alanine, conf. II
636498.3387 75.2458 -4.0888 3 1299.2909675 89503 303B23974 B13973 a-Alanine, conf. II
636499.1093122.9082 -4.2864 3 1423.1876741 89503 303C32499 C22498 a-Alanine, conf. II
636499.1093122.9082 -4.2864 3 1423.1876741 89503 303C32599 C22598 a-Alanine, conf. II
636509.7397 75.2888 -4.0888 3 1299.2901675 89503 303B23874 B13873 a-Alanine, conf. II
636590.5414199.6292 -4.0361 3 1264.4919657 89503 303A94565 A84564 a-Alanine, conf. II
636669.1459 71.5113 -4.0602 3 1283.6256669 89503 303B14072 B04071 a-Alanine, conf. II
636729.7388 79.4886 -4.1158 3 1314.5536681 89503 303B33876 B23875 a-Alanine, conf. II
636730.5067 79.4938 -4.1158 3 1314.5535681 89503 303B33776 B23775 a-Alanine, conf. II
636748.1080 10.9432 -4.2272 3 566.6265441 89503 303733242 723043 a-Alanine, conf. II
636808.0710 71.7780 -4.0600 3 1283.6161669 89503 303B13972 B03971 a-Alanine, conf. II
636812.0589316.5486 -3.9832 3 1238.9147651 89503 303A84464 A74463 a-Alanine, conf. II
636829.5442 15.3437 -4.1627 3 683.6969429 89503 303715615 705516 a-Alanine, conf. II
636829.5442 15.3437 -4.1627 3 683.6969429 89503 303715616 705515 a-Alanine, conf. II
636847.4239148.0515 -4.3170 3 1446.6689759 89503 303C620A6 C520A5 a-Alanine, conf. II
636847.4239148.0515 -4.3170 3 1446.6689759 89503 303C621A6 C521A5 a-Alanine, conf. II
636864.6453 66.3105 -4.2321 3 571.0038447 89503 303742946 732747 a-Alanine, conf. II
637040.3844 85.9773 -3.9993 3 1250.9328657 89503 303A94268 A84267 a-Alanine, conf. II
637148.2986 14.4302 -4.2578 3 701.1269453 89503 303755124 745025 a-Alanine, conf. II
637148.2986 14.4302 -4.2578 3 701.1269453 89503 303755125 745024 a-Alanine, conf. II
637200.5948 92.9774 -3.8667 3 1186.1889639 89503 303A64165 A54164 a-Alanine, conf. II
637203.2088217.6376 -4.3401 3 1466.5182777 89503 303C916B3 C816B2 a-Alanine, conf. II
637203.2088217.6376 -4.3401 3 1466.5182777 89503 303C917B3 C817B2 a-Alanine, conf. II
637218.6064 69.1398 -4.0297 3 1267.5008663 89503 303B04170 A94169 a-Alanine, conf. II
637235.5283 84.2447 -4.1414 3 1329.4620687 89503 303B43778 B33777 a-Alanine, conf. II
637235.5721 84.2452 -4.1414 3 1329.4620687 89503 303B43678 B33677 a-Alanine, conf. II
637242.5682175.7951 -4.2091 3 1340.5986669 89503 303B15161 B05160 a-Alanine, conf. II
637242.7091175.8039 -4.2091 3 1340.5986669 89503 303B15160 B05159 a-Alanine, conf. II
637320.8764105.2553 -4.2216 3 1378.3208711 89503 303B83187 B73186 a-Alanine, conf. II
637320.8764105.2553 -4.2216 3 1378.3208711 89503 303B83287 B73286 a-Alanine, conf. II
637380.1108116.4740 -4.2668 3 1408.4326729 89503 303C12794 C02793 a-Alanine, conf. II
637380.1108116.4740 -4.2668 3 1408.4326729 89503 303C12894 C02893 a-Alanine, conf. II
637438.1238 20.0673 -4.1068 3 677.3910411 89503 3036860 8 6759 9 a-Alanine, conf. II
637438.1238 20.0673 -4.1068 3 677.3910411 89503 3036860 9 6759 8 a-Alanine, conf. II
637633.3672164.6729 -4.3428 3 1396.1116675 89503 303B25656 B15655 a-Alanine, conf. II
637633.3672164.6729 -4.3428 3 1396.1116675 89503 303B25657 B15656 a-Alanine, conf. II
637669.8493127.9800 -4.3034 3 1434.6973747 89503 303C423A1 C323A0 a-Alanine, conf. II
637669.8493127.9800 -4.3034 3 1434.6973747 89503 303C424A1 C324A0 a-Alanine, conf. II
637825.1663 42.7149 -4.2279 3 592.2473453 89503 303753145 742946 a-Alanine, conf. II
637925.7607 89.3681 -4.1660 3 1344.0495693 89503 303B53680 B43679 a-Alanine, conf. II
637925.7629 89.3682 -4.1660 3 1344.0495693 89503 303B53580 B43579 a-Alanine, conf. II
637942.5803 26.8401 -4.0624 3 675.2647393 89503 3036564 1 6463 2 a-Alanine, conf. II
637942.5803 26.8401 -4.0624 3 675.2647393 89503 3036564 2 6463 1 a-Alanine, conf. II
638022.7508 7.9132 -4.2379 3 515.0600417 89503 303693336 683137 a-Alanine, conf. II
638022.9647162.1887 -4.3321 3 1457.2673765 89503 303C719A8 C619A7 a-Alanine, conf. II
638022.9647162.1887 -4.3321 3 1457.2673765 89503 303C720A8 C620A7 a-Alanine, conf. II
638031.4814 14.6751 -4.1843 3 689.2930435 89503 303725517 715418 a-Alanine, conf. II
638031.4814 14.6751 -4.1843 3 689.2930435 89503 303725518 715417 a-Alanine, conf. II
638120.0586 7.9839 -4.2378 3 515.0566417 89503 303693337 683138 a-Alanine, conf. II
638176.5446 7.2203 -4.2592 3 480.1385399 89503 303663432 653233 a-Alanine, conf. II
638177.3918 7.2213 -4.2592 3 480.1385399 89503 303663433 653234 a-Alanine, conf. II
638207.8626199.7897 -4.1023 3 1295.8737663 89503 303B04764 A94763 a-Alanine, conf. II
638233.7009 15.2214 -4.2849 3 708.3394459 89503 303765026 754927 a-Alanine, conf. II
638233.7009 15.2214 -4.2849 3 708.3394459 89503 303765027 754926 a-Alanine, conf. II
638357.5749206.6803 -4.1021 3 1295.8787663 89503 303B04763 A94762 a-Alanine, conf. II
638385.6003109.7020 -4.2424 3 1391.5233717 89503 303B93089 B83088 a-Alanine, conf. II
638385.6003109.7020 -4.2424 3 1391.5233717 89503 303B93189 B83188 a-Alanine, conf. II
638522.0485 73.8411 -4.0276 3 1267.4041663 89503 303B04070 A94069 a-Alanine, conf. II
638528.5551119.9550 -4.2854 3 1420.6537735 89503 303C22696 C12695 a-Alanine, conf. II
638528.5551119.9550 -4.2854 3 1420.6537735 89503 303C22796 C12795 a-Alanine, conf. II
638572.8976271.3348 -4.0334 3 1264.5718657 89503 303A94564 A84563 a-Alanine, conf. II
638581.0289167.7425 -4.3212 3 1388.8497675 89503 303B25557 B15556 a-Alanine, conf. II
638581.0289167.7425 -4.3212 3 1388.8497675 89503 303B25558 B15557 a-Alanine, conf. II
638655.4911179.5642 -4.0195 3 1259.7992657 89503 303A94466 A84465 a-Alanine, conf. II
638683.5604 18.5970 -4.1249 3 681.7791417 89503 303695910 685811 a-Alanine, conf. II
638683.5604 18.5970 -4.1249 3 681.7791417 89503 303695911 685810 a-Alanine, conf. II
638744.6376 94.6629 -4.1896 3 1358.3397699 89503 303B63582 B53581 a-Alanine, conf. II
638744.6377 94.6629 -4.1896 3 1358.3397699 89503 303B63482 B53481 a-Alanine, conf. II
638751.7111182.6323 -4.1895 3 1334.3571669 89503 303B15062 B05061 a-Alanine, conf. II
638752.8120182.6967 -4.1895 3 1334.3572669 89503 303B15061 B05060 a-Alanine, conf. II
638842.7623134.6088 -4.3200 3 1445.9870753 89503 303C522A3 C422A2 a-Alanine, conf. II
638842.7623134.6088 -4.3200 3 1445.9870753 89503 303C523A3 C423A2 a-Alanine, conf. II
639009.0489 33.7152 -4.2696 3 497.0595423 89503 303702347 692148 a-Alanine, conf. II
639040.2841 33.6045 -4.2695 3 497.0596423 89503 303702447 692248 a-Alanine, conf. II
639051.0824132.3194 -4.0069 3 1255.3381657 89503 303A94367 A84366 a-Alanine, conf. II
639212.4558 24.9072 -4.0774 3 678.4694399 89503 3036663 3 6562 4 a-Alanine, conf. II
639212.4558 24.9072 -4.0774 3 678.4694399 89503 3036663 4 6562 3 a-Alanine, conf. II
639215.1997 14.3194 -4.2069 3 695.2460441 89503 303735419 725320 a-Alanine, conf. II
639215.1997 14.3194 -4.2069 3 695.2460441 89503 303735420 725319 a-Alanine, conf. II
639277.0091 16.2914 -4.3136 3 715.9279465 89503 303774928 764829 a-Alanine, conf. II
639277.0091 16.2914 -4.3136 3 715.9279465 89503 303774929 764828 a-Alanine, conf. II
639480.7000113.8026 -4.2626 3 1404.4827723 89503 303C02991 B92990 a-Alanine, conf. II
639480.7000113.8026 -4.2626 3 1404.4827723 89503 303C03091 B93090 a-Alanine, conf. II
639615.8957171.3340 -4.3001 3 1381.7858675 89503 303B25459 B15458 a-Alanine, conf. II
639615.8962171.3341 -4.3001 3 1381.7858675 89503 303B25458 B15457 a-Alanine, conf. II
639656.0740 99.9435 -4.2125 3 1372.3498705 89503 303B73384 B63383 a-Alanine, conf. II
639656.0740 99.9435 -4.2125 3 1372.3498705 89503 303B73484 B63483 a-Alanine, conf. II
639680.5692102.3532 -4.2604 3 708.6455495 89503 303823349 813150 a-Alanine, conf. II
639686.1123123.6653 -4.3034 3 1432.6483741 89503 303C32598 C22597 a-Alanine, conf. II
639686.1123123.6653 -4.3034 3 1432.6483741 89503 303C32698 C22697 a-Alanine, conf. II
639708.1421 17.4381 -4.3184 3 458.6312411 89503 303682048 671849 a-Alanine, conf. II
639708.3503 17.4376 -4.3184 3 458.6312411 89503 303682148 671949 a-Alanine, conf. II
639724.9662 68.8116 -4.2817 3 644.5855471 89503 303783345 773146 a-Alanine, conf. II
639918.8914 17.3075 -4.1439 3 686.5154423 89503 303705812 695713 a-Alanine, conf. II
639918.8914 17.3075 -4.1439 3 686.5154423 89503 303705813 695712 a-Alanine, conf. II
639931.7060 6.9571 -4.2865 3 459.6059387 89503 303643529 633330 a-Alanine, conf. II
639931.7166 6.9571 -4.2865 3 459.6059387 89503 303643530 633331 a-Alanine, conf. II
640015.4071 14.1702 -4.2329 3 580.9616447 89503 303743243 733044 a-Alanine, conf. II
640016.3469143.4189 -4.3361 3 1457.0581759 89503 303C621A5 C521A4 a-Alanine, conf. II
640016.3469143.4189 -4.3361 3 1457.0581759 89503 303C622A5 C522A4 a-Alanine, conf. II
640104.9974 64.6164 -4.2354 3 588.8738453 89503 303753046 742847 a-Alanine, conf. II
640377.2524 14.3028 -4.2306 3 701.5592447 89503 303745321 735222 a-Alanine, conf. II
640377.2524 14.3028 -4.2306 3 701.5592447 89503 303745322 735221 a-Alanine, conf. II
640476.2104191.2937 -4.1701 3 1328.3577669 89503 303B14963 B04962 a-Alanine, conf. II
640476.3966 23.0780 -4.0933 3 682.0162405 89503 3036762 5 6661 6 a-Alanine, conf. II
640476.3966 23.0780 -4.0933 3 682.0162405 89503 3036762 6 6661 5 a-Alanine, conf. II
640484.0598191.7226 -4.1701 3 1328.3580669 89503 303B14962 B04961 a-Alanine, conf. II
640520.2941 7.0938 -4.3189 3 440.1919375 89503 303623626 613427 a-Alanine, conf. II
640520.2942 7.0938 -4.3189 3 440.1919375 89503 303623627 613428 a-Alanine, conf. II
640598.4358117.5954 -4.2823 3 1417.2045729 89503 303C12893 C02892 a-Alanine, conf. II
640598.4358117.5954 -4.2823 3 1417.2045729 89503 303C12993 C02992 a-Alanine, conf. II
640631.6866 59.4345 -3.9044 3 1207.4436645 89503 303A74166 A64165 a-Alanine, conf. II
640635.5131105.0576 -4.2346 3 1386.0930711 89503 303B83286 B73285 a-Alanine, conf. II
640635.5131105.0576 -4.2346 3 1386.0930711 89503 303B83386 B73385 a-Alanine, conf. II
640637.4904 78.9082 -4.1235 3 1320.5222681 89503 303B33975 B23974 a-Alanine, conf. II
640643.1178 78.9342 -4.1235 3 1320.5218681 89503 303B33875 B23874 a-Alanine, conf. II
640698.7745 74.9480 -4.0951 3 1304.8626675 89503 303B24073 B14072 a-Alanine, conf. II
640701.1526209.4577 -4.0837 3 1290.6420663 89503 303B04665 A94664 a-Alanine, conf. II
640735.0986106.9301 -4.2628 3 585.2491453 89503 303752847 742648 a-Alanine, conf. II
640753.1939175.5882 -4.2794 3 1374.9266675 89503 303B25360 B15359 a-Alanine, conf. II
640753.1983175.5885 -4.2794 3 1374.9266675 89503 303B25359 B15358 a-Alanine, conf. II
640771.1849 75.1121 -4.0950 3 1304.8577675 89503 303B23973 B13972 a-Alanine, conf. II
640849.7789127.9862 -4.3210 3 1444.4189747 89503 303C424A0 C32499 a-Alanine, conf. II
640849.7789127.9862 -4.3210 3 1444.4189747 89503 303C425A0 C32599 a-Alanine, conf. II
640944.4100 83.4036 -4.1504 3 1335.7926687 89503 303B43877 B33876 a-Alanine, conf. II
640944.7729 83.4065 -4.1504 3 1335.7926687 89503 303B43777 B33776 a-Alanine, conf. II
641136.9914184.0625 -4.2797 3 689.6768489 89503 303813249 803050 a-Alanine, conf. II
641142.3585 16.2358 -4.1638 3 691.6018429 89503 303715714 705615 a-Alanine, conf. II
641142.3585 16.2358 -4.1638 3 691.6018429 89503 303715715 705614 a-Alanine, conf. II
641196.1751 71.7310 -4.0648 3 1288.7561669 89503 303B14171 B04170 a-Alanine, conf. II
641249.9730 8.2926 -4.2406 3 528.4724423 89503 303703337 693138 a-Alanine, conf. II
641456.9989 79.4088 -4.0336 3 1272.1822663 89503 303B04269 A94268 a-Alanine, conf. II
641462.9368 8.3782 -4.2403 3 528.4650423 89503 303703338 693139 a-Alanine, conf. II
641484.4802241.9567 -4.0826 3 1290.6710663 89503 303B04664 A94663 a-Alanine, conf. II
641498.0817 88.3979 -4.1760 3 1350.7179693 89503 303B53779 B43778 a-Alanine, conf. II
641498.1016 88.3981 -4.1760 3 1350.7179693 89503 303B53679 B43678 a-Alanine, conf. II
641513.4505 14.6320 -4.2556 3 708.2361453 89503 303755223 745124 a-Alanine, conf. II
641513.4505 14.6320 -4.2556 3 708.2361453 89503 303755224 745123 a-Alanine, conf. II
641665.5572109.8945 -4.2561 3 1399.5796717 89503 303B93188 B83187 a-Alanine, conf. II
641665.5572109.8945 -4.2561 3 1399.5796717 89503 303B93288 B83287 a-Alanine, conf. II
641705.1980 41.1736 -4.2638 3 514.3413429 89503 303712447 702248 a-Alanine, conf. II
641732.8591121.1905 -4.3014 3 1429.6933735 89503 303C22795 C12794 a-Alanine, conf. II
641732.8591121.1905 -4.3014 3 1429.6933735 89503 303C22895 C12894 a-Alanine, conf. II
641733.4729 21.3685 -4.1100 3 685.9067411 89503 3036861 7 6760 8 a-Alanine, conf. II
641733.4729 21.3685 -4.1100 3 685.9067411 89503 3036861 8 6760 7 a-Alanine, conf. II
641815.3962 40.7513 -4.2637 3 514.3415429 89503 303712547 702348 a-Alanine, conf. II
641931.2636 73.7583 -4.0636 3 1288.7030669 89503 303B14071 B04070 a-Alanine, conf. II
642012.8259180.7050 -4.2591 3 1368.2797675 89503 303B25261 B15260 a-Alanine, conf. II
642012.8645180.7076 -4.2591 3 1368.2797675 89503 303B25260 B15259 a-Alanine, conf. II
642017.2066133.4084 -4.3382 3 1455.9677753 89503 303C523A2 C423A1 a-Alanine, conf. II
642017.2066133.4084 -4.3382 3 1455.9677753 89503 303C524A2 C424A1 a-Alanine, conf. II
642219.2830 93.7211 -4.2005 3 1365.3284699 89503 303B63681 B53680 a-Alanine, conf. II
642219.2840 93.7211 -4.2005 3 1365.3284699 89503 303B63581 B53580 a-Alanine, conf. II
642229.1194 28.4518 -4.0674 3 684.3783393 89503 3036565 0 6464 1 a-Alanine, conf. II
642229.1194 28.4518 -4.0674 3 684.3783393 89503 3036565 1 6464 0 a-Alanine, conf. II
642302.0850 7.5626 -4.2592 3 492.8589405 89503 303673433 663234 a-Alanine, conf. II
642304.2244 7.5653 -4.2592 3 492.8589405 89503 303673434 663235 a-Alanine, conf. II
642310.5522170.3301 -4.2879 3 636.6029471 89503 303783048 772849 a-Alanine, conf. II
642351.8568 15.4238 -4.1847 3 697.0407435 89503 303725616 715517 a-Alanine, conf. II
642351.8568 15.4238 -4.1847 3 697.0407435 89503 303725617 715516 a-Alanine, conf. II
642475.9378202.1861 -4.1510 3 1322.6184669 89503 303B14864 B04863 a-Alanine, conf. II
642526.4421204.7466 -4.1510 3 1322.6200669 89503 303B14863 B04862 a-Alanine, conf. II
642618.6711 15.2929 -4.2819 3 715.2810459 89503 303765125 755026 a-Alanine, conf. II
642618.6711 15.2929 -4.2819 3 715.2810459 89503 303765126 755025 a-Alanine, conf. II
642733.4980114.3903 -4.2770 3 1412.8175723 89503 303C03090 B93089 a-Alanine, conf. II
642733.4980114.3903 -4.2770 3 1412.8175723 89503 303C03190 B93189 a-Alanine, conf. II
642879.3518124.7833 -4.3201 3 1441.9528741 89503 303C32697 C22696 a-Alanine, conf. II
642879.3518124.7833 -4.3201 3 1441.9528741 89503 303C32797 C22796 a-Alanine, conf. II
642895.3588 88.9978 -3.9446 3 1228.8128651 89503 303A84167 A74166 a-Alanine, conf. II
642982.5773 19.8003 -4.1275 3 690.1424417 89503 3036960 9 685910 a-Alanine, conf. II
642982.5773 19.8003 -4.1275 3 690.1424417 89503 303696010 6859 9 a-Alanine, conf. II
643058.5292 99.1732 -4.2242 3 1379.6459705 89503 303B73483 B63482 a-Alanine, conf. II
643058.5292 99.1732 -4.2242 3 1379.6459705 89503 303B73583 B63582 a-Alanine, conf. II
643196.6328205.4203 -4.0658 3 1285.7263663 89503 303B04566 A94565 a-Alanine, conf. II
643421.5886186.9770 -4.2392 3 1361.8547675 89503 303B25162 B15161 a-Alanine, conf. II
643421.9055186.9971 -4.2392 3 1361.8547675 89503 303B25161 B15160 a-Alanine, conf. II
643429.6650239.8782 -3.9055 3 1210.3775645 89503 303A74265 A64264 a-Alanine, conf. II
643500.8552 26.4417 -4.0820 3 687.4336399 89503 3036664 2 6563 3 a-Alanine, conf. II
643500.8552 26.4417 -4.0820 3 687.4336399 89503 3036664 3 6563 2 a-Alanine, conf. II
643544.8597 14.9127 -4.2067 3 702.8348441 89503 303735518 725419 a-Alanine, conf. II
643544.8597 14.9127 -4.2067 3 702.8348441 89503 303735519 725418 a-Alanine, conf. II
643686.6025 16.2553 -4.3096 3 722.6986465 89503 303775027 764928 a-Alanine, conf. II
643686.6025 16.2553 -4.3096 3 722.6986465 89503 303775028 764927 a-Alanine, conf. II
643719.1872 22.3482 -4.3067 3 475.5874417 89503 303692148 681949 a-Alanine, conf. II
643720.0919 22.3454 -4.3067 3 475.5874417 89503 303692248 682049 a-Alanine, conf. II
643742.7575 50.3275 -4.2601 3 531.8094435 89503 303722547 712348 a-Alanine, conf. II
643829.8338118.5349 -4.2973 3 1425.8134729 89503 303C12992 C02991 a-Alanine, conf. II
643829.8338118.5349 -4.2973 3 1425.8134729 89503 303C13092 C03091 a-Alanine, conf. II
643880.5033 20.3165 -4.2402 3 595.4981453 89503 303753244 743045 a-Alanine, conf. II
643983.3373104.5725 -4.2472 3 1393.6864711 89503 303B83385 B73384 a-Alanine, conf. II
643983.3373104.5725 -4.2472 3 1393.6864711 89503 303B83485 B73484 a-Alanine, conf. II
644106.8622 48.8405 -4.2596 3 531.8099435 89503 303722647 712448 a-Alanine, conf. II
644161.0014 8.8671 -4.2442 3 542.1078429 89503 303713338 703139 a-Alanine, conf. II
644176.1952 80.1247 -4.2594 3 567.2745447 89503 303742747 732548 a-Alanine, conf. II
644222.3908 18.4013 -4.1460 3 694.7250423 89503 303705911 695812 a-Alanine, conf. II
644222.3908 18.4013 -4.1460 3 694.7250423 89503 303705912 695811 a-Alanine, conf. II
644295.3278118.0656 -4.0397 3 1276.6545663 89503 303B04368 A94367 a-Alanine, conf. II
644327.9263 59.5036 -4.2838 3 629.1114465 89503 303773344 763145 a-Alanine, conf. II
644438.6820 7.2123 -4.2845 3 471.8792393 89503 303653530 643331 a-Alanine, conf. II
644438.7118 7.2123 -4.2845 3 471.8792393 89503 303653531 643332 a-Alanine, conf. II
644613.2259 8.8185 -4.2436 3 542.0921429 89503 303713339 703140 a-Alanine, conf. II
644665.8297108.0862 -3.9850 3 1250.2575657 89503 303A94168 A84167 a-Alanine, conf. II
644718.3242 14.7356 -4.2299 3 708.9870447 89503 303745420 735321 a-Alanine, conf. II
644718.3242 14.7356 -4.2299 3 708.9870447 89503 303745421 735320 a-Alanine, conf. II
644754.1423 78.5368 -4.1303 3 1326.2340681 89503 303B34074 B24073 a-Alanine, conf. II
644767.0363 24.5311 -4.0974 3 690.8304405 89503 3036763 4 6662 5 a-Alanine, conf. II
644767.0363 24.5311 -4.0974 3 690.8304405 89503 3036763 5 6662 4 a-Alanine, conf. II
644785.6269172.2658 -4.0505 3 1281.1025663 89503 303B04467 A94466 a-Alanine, conf. II
644789.0754 62.4367 -4.2584 3 549.4568441 89503 303732647 722448 a-Alanine, conf. II
644791.3118 78.6412 -4.1302 3 1326.2315681 89503 303B33974 B23973 a-Alanine, conf. II
644794.8997 82.7340 -4.1585 3 1341.8915687 89503 303B43976 B33975 a-Alanine, conf. II
644797.6456 82.7494 -4.1585 3 1341.8913687 89503 303B43876 B33875 a-Alanine, conf. II
644801.8536214.2904 -4.1321 3 1317.1620669 89503 303B14765 B04764 a-Alanine, conf. II
644947.3335122.3805 -4.3171 3 1438.5726735 89503 303C22894 C12893 a-Alanine, conf. II
644947.3335122.3805 -4.3171 3 1438.5726735 89503 303C22994 C12993 a-Alanine, conf. II
644971.3294109.7730 -4.2694 3 1407.4623717 89503 303B93287 B83286 a-Alanine, conf. II
644971.3294109.7730 -4.2694 3 1407.4623717 89503 303B93387 B83386 a-Alanine, conf. II
645016.6048194.8313 -4.2196 3 1355.6636675 89503 303B25063 B15062 a-Alanine, conf. II
645018.9897194.9733 -4.2196 3 1355.6637675 89503 303B25062 B15061 a-Alanine, conf. II
645090.0535227.6726 -4.1318 3 1317.1720669 89503 303B14764 B04763 a-Alanine, conf. II
645158.8930 74.8903 -4.1002 3 1310.1441675 89503 303B24172 B14171 a-Alanine, conf. II
645168.8126 87.4879 -4.1853 3 1357.1722693 89503 303B53878 B43877 a-Alanine, conf. II
645168.9825 87.4894 -4.1853 3 1357.1722693 89503 303B53778 B43777 a-Alanine, conf. II
645285.6453 7.1999 -4.3146 3 452.0337381 89503 303633627 623428 a-Alanine, conf. II
645285.6456 7.1999 -4.3146 3 452.0337381 89503 303633628 623429 a-Alanine, conf. II
645451.3409 17.2063 -4.1654 3 699.6565429 89503 303715813 705714 a-Alanine, conf. II
645451.3409 17.2063 -4.1654 3 699.6565429 89503 303715814 705713 a-Alanine, conf. II
645485.5409354.8216 -3.9555 3 1234.9887651 89503 303A84365 A74364 a-Alanine, conf. II
645563.2814 75.7954 -4.0996 3 1310.1155675 89503 303B24072 B14071 a-Alanine, conf. II
645633.6573181.2361 -4.3304 3 1403.1211681 89503 303B35460 B25459 a-Alanine, conf. II
645633.6585181.2362 -4.3304 3 1403.1211681 89503 303B35459 B25458 a-Alanine, conf. II
645663.4393 76.6567 -4.0687 3 1293.5789669 89503 303B14270 B04269 a-Alanine, conf. II
645693.7372369.6057 -4.0091 3 1260.1564657 89503 303A94465 A84464 a-Alanine, conf. II
645727.0365 56.2062 -4.2448 3 606.9104459 89503 303763146 752947 a-Alanine, conf. II
645765.1085 92.7170 -4.2109 3 1372.1160699 89503 303B63780 B53779 a-Alanine, conf. II
645765.1175 92.7171 -4.2109 3 1372.1160699 89503 303B63680 B53679 a-Alanine, conf. II
645868.5686 14.9089 -4.2541 3 715.5008453 89503 303755322 745223 a-Alanine, conf. II
645868.5686 14.9089 -4.2541 3 715.5008453 89503 303755323 745222 a-Alanine, conf. II
645908.7941 57.6506 -4.2571 3 549.4586441 89503 303732747 722548 a-Alanine, conf. II
646006.5027114.6722 -4.2910 3 1420.9832723 89503 303C03189 B93188 a-Alanine, conf. II
646006.5027114.6722 -4.2910 3 1420.9832723 89503 303C03289 B93288 a-Alanine, conf. II
646026.8250 22.7346 -4.1136 3 694.5699411 89503 3036862 6 6761 7 a-Alanine, conf. II
646026.8250 22.7346 -4.1136 3 694.5699411 89503 3036862 7 6761 6 a-Alanine, conf. II
646302.8888 7.9231 -4.2601 3 505.7893411 89503 303683434 673235 a-Alanine, conf. II
646308.1480 7.9302 -4.2601 3 505.7891411 89503 303683435 673236 a-Alanine, conf. II
646514.0573 98.2339 -4.2355 3 1386.7506705 89503 303B73682 B63681 a-Alanine, conf. II
646514.0577 98.2339 -4.2355 3 1386.7506705 89503 303B73582 B63581 a-Alanine, conf. II
646546.8609105.6705 -4.0247 3 1271.7612663 89503 303B04169 A94168 a-Alanine, conf. II
646564.3844323.0681 -4.0612 3 1285.8723663 89503 303B04565 A94564 a-Alanine, conf. II
646646.8845 10.0839 -4.2488 3 555.9719435 89503 303723339 713140 a-Alanine, conf. II
646667.5503 16.2558 -4.1858 3 704.9392435 89503 303725715 715616 a-Alanine, conf. II
646667.5503 16.2558 -4.1858 3 704.9392435 89503 303725716 715615 a-Alanine, conf. II
646823.0179186.0293 -4.3098 3 1396.2998681 89503 303B35361 B25360 a-Alanine, conf. II
646823.0282186.0300 -4.3098 3 1396.2998681 89503 303B35360 B25359 a-Alanine, conf. II
646849.3228204.8061 -4.2004 3 1349.7217675 89503 303B24964 B14963 a-Alanine, conf. II
646865.6454205.7125 -4.2003 3 1349.7222675 89503 303B24963 B14962 a-Alanine, conf. II
646991.1151 15.4282 -4.2797 3 722.3798459 89503 303765224 755125 a-Alanine, conf. II
646991.1151 15.4282 -4.2797 3 722.3798459 89503 303765225 755124 a-Alanine, conf. II
647077.0847119.2160 -4.3120 3 1434.2568729 89503 303C13091 C03090 a-Alanine, conf. II
647077.0847119.2160 -4.3120 3 1434.2568729 89503 303C13191 C03190 a-Alanine, conf. II
647279.2250 21.0715 -4.1307 3 698.6536417 89503 3036961 8 6860 9 a-Alanine, conf. II
647279.2250 21.0715 -4.1307 3 698.6536417 89503 3036961 9 6860 8 a-Alanine, conf. II
647343.7885 66.3454 -4.2560 3 567.2807447 89503 303742847 732648 a-Alanine, conf. II
647371.5885103.8372 -4.2592 3 1401.0960711 89503 303B83484 B73483 a-Alanine, conf. II
647371.5885103.8372 -4.2592 3 1401.0960711 89503 303B83584 B73583 a-Alanine, conf. II
647374.1513221.0228 -4.1137 3 1312.0135669 89503 303B14666 B04665 a-Alanine, conf. II
647427.2496 27.9780 -4.2974 3 492.7455423 89503 303702248 692049 a-Alanine, conf. II
647430.9601 27.9652 -4.2974 3 492.7455423 89503 303702348 692149 a-Alanine, conf. II
647577.0039 9.3185 -4.2476 3 555.9393435 89503 303723340 713141 a-Alanine, conf. II
647707.7083 43.8709 -4.2782 3 613.9262459 89503 303763343 753144 a-Alanine, conf. II
647787.8688 28.0381 -4.0870 3 696.5442399 89503 3036665 1 6564 2 a-Alanine, conf. II
647787.8688 28.0381 -4.0870 3 696.5442399 89503 3036665 2 6564 1 a-Alanine, conf. II
647868.7725 15.5923 -4.2072 3 710.5754441 89503 303735617 725518 a-Alanine, conf. II
647868.7725 15.5923 -4.2072 3 710.5754441 89503 303735618 725517 a-Alanine, conf. II
648080.4811 16.2699 -4.3065 3 729.6286465 89503 303775126 765027 a-Alanine, conf. II
648080.4811 16.2699 -4.3065 3 729.6286465 89503 303775127 765026 a-Alanine, conf. II
648144.5393191.8309 -4.2896 3 1389.6949681 89503 303B35262 B25261 a-Alanine, conf. II
648144.6278191.8370 -4.2896 3 1389.6949681 89503 303B35261 B25260 a-Alanine, conf. II
648308.3530109.3495 -4.2822 3 1415.1674717 89503 303B93386 B83385 a-Alanine, conf. II
648308.3530109.3495 -4.2822 3 1415.1674717 89503 303B93486 B83485 a-Alanine, conf. II
648523.0518 19.5671 -4.1487 3 703.0833423 89503 303706010 695911 a-Alanine, conf. II
648523.0518 19.5671 -4.1487 3 703.0833423 89503 303706011 695910 a-Alanine, conf. II
648536.7876 12.9442 -4.2545 3 570.0726441 89503 303733340 723141 a-Alanine, conf. II
648616.3599 29.8900 -4.2499 3 610.2254459 89503 303763245 753046 a-Alanine, conf. II
648784.9870279.1420 -4.1118 3 1312.0686669 89503 303B14665 B04664 a-Alanine, conf. II
648788.2821 73.0929 -4.2562 3 585.2691453 89503 303752947 742748 a-Alanine, conf. II
648834.5393 82.2804 -4.1658 3 1347.7407687 89503 303B44075 B34074 a-Alanine, conf. II
648853.3553 82.3465 -4.1658 3 1347.7395687 89503 303B43975 B33974 a-Alanine, conf. II
648853.8789 94.9325 -4.0634 3 1293.3277669 89503 303B14170 B04169 a-Alanine, conf. II
648862.8410 7.5130 -4.2834 3 484.3575399 89503 303663531 653332 a-Alanine, conf. II
648862.9226 7.5131 -4.2834 3 484.3575399 89503 303663532 653333 a-Alanine, conf. II
648967.9288 86.7296 -4.1939 3 1363.3996693 89503 303B53977 B43976 a-Alanine, conf. II
648969.2544 86.7383 -4.1939 3 1363.3995693 89503 303B53877 B43876 a-Alanine, conf. II
648982.1041217.0436 -4.1813 3 1344.0491675 89503 303B24865 B14864 a-Alanine, conf. II
649052.3117 15.2539 -4.2297 3 716.5679447 89503 303745519 735420 a-Alanine, conf. II
649052.3117 15.2539 -4.2297 3 716.5679447 89503 303745520 735419 a-Alanine, conf. II
649056.0926 26.0473 -4.1019 3 699.7912405 89503 3036764 3 6663 4 a-Alanine, conf. II
649056.0926 26.0473 -4.1019 3 699.7912405 89503 3036764 4 6663 3 a-Alanine, conf. II
649082.4032222.1933 -4.1812 3 1344.0523675 89503 303B24864 B14863 a-Alanine, conf. II
649129.0941 78.3560 -4.1360 3 1331.6643681 89503 303B34173 B24172 a-Alanine, conf. II
649183.7067104.6173 -4.0737 3 1298.1459669 89503 303B14369 B04368 a-Alanine, conf. II
649303.9004114.6320 -4.3045 3 1428.9762723 89503 303C03288 B93287 a-Alanine, conf. II
649303.9004114.6320 -4.3045 3 1428.9762723 89503 303C03388 B93387 a-Alanine, conf. II
649346.9501 78.8093 -4.1356 3 1331.6491681 89503 303B34073 B24072 a-Alanine, conf. II
649401.2392 91.7446 -4.2206 3 1378.6927699 89503 303B63879 B53878 a-Alanine, conf. II
649401.3181 91.7454 -4.2206 3 1378.6927699 89503 303B63779 B53778 a-Alanine, conf. II
649414.8907 29.2669 -4.2697 3 599.0335453 89503 303753342 743143 a-Alanine, conf. II
649574.1067 18.9208 -4.2615 3 584.4213447 89503 303743341 733142 a-Alanine, conf. II
649576.8814158.6654 -3.9369 3 1231.8400651 89503 303A84266 A74265 a-Alanine, conf. II
649628.5858198.9967 -4.2698 3 1383.3169681 89503 303B35163 B25162 a-Alanine, conf. II
649629.2870199.0421 -4.2698 3 1383.3170681 89503 303B35162 B25161 a-Alanine, conf. II
649680.3906206.5107 -4.0965 3 1307.1810669 89503 303B14567 B04566 a-Alanine, conf. II
649728.0562 76.9094 -4.1044 3 1315.1159675 89503 303B24271 B14270 a-Alanine, conf. II
649756.8960 18.2537 -4.1676 3 707.8608429 89503 303715912 705813 a-Alanine, conf. II
649756.8960 18.2537 -4.1676 3 707.8608429 89503 303715913 705812 a-Alanine, conf. II
649991.0185 7.3595 -4.3114 3 464.0773387 89503 303643628 633429 a-Alanine, conf. II
649991.0193 7.3595 -4.3114 3 464.0773387 89503 303643629 633430 a-Alanine, conf. II
650035.5598 97.2041 -4.2461 3 1393.6564705 89503 303B73781 B63780 a-Alanine, conf. II
650035.5638 97.2041 -4.2461 3 1393.6564705 89503 303B73681 B63680 a-Alanine, conf. II
650163.5392 8.2928 -4.2618 3 518.9311417 89503 303693435 683236 a-Alanine, conf. II
650176.1254 8.3097 -4.2618 3 518.9307417 89503 303693436 683237 a-Alanine, conf. II
650214.9199 15.2659 -4.2533 3 722.9199453 89503 303755421 745322 a-Alanine, conf. II
650214.9199 15.2659 -4.2533 3 722.9199453 89503 303755422 745321 a-Alanine, conf. II
650318.3398 24.1654 -4.1177 3 703.3802411 89503 3036863 5 6762 6 a-Alanine, conf. II
650318.3398 24.1654 -4.1177 3 703.3802411 89503 3036863 6 6762 5 a-Alanine, conf. II
650343.4796119.5908 -4.3262 3 1442.5317729 89503 303C13190 C03189 a-Alanine, conf. II
650343.4796119.5908 -4.3262 3 1442.5317729 89503 303C13290 C03289 a-Alanine, conf. II
650384.6568 9.8841 -4.2523 3 570.0075441 89503 303733341 723142 a-Alanine, conf. II
650607.1867160.0924 -4.0826 3 1302.6102669 89503 303B14468 B04467 a-Alanine, conf. II
650781.3446 34.4506 -4.2903 3 510.1017429 89503 303712348 702149 a-Alanine, conf. II
650795.6986 34.3958 -4.2902 3 510.1017429 89503 303712448 702249 a-Alanine, conf. II
650809.3963102.9083 -4.2708 3 1408.3160711 89503 303B83683 B73682 a-Alanine, conf. II
650809.3964102.9083 -4.2708 3 1408.3160711 89503 303B83583 B73582 a-Alanine, conf. II
650826.9437200.3350 -4.3119 3 670.6929483 89503 303803149 792950 a-Alanine, conf. II
650971.1162 75.1832 -4.2586 3 603.4183459 89503 303763047 752848 a-Alanine, conf. II
650979.0790 17.1697 -4.1874 3 712.9880435 89503 303725814 715715 a-Alanine, conf. II
650979.0790 17.1697 -4.1874 3 712.9880435 89503 303725815 715714 a-Alanine, conf. II
651317.4793208.0327 -4.2504 3 1377.1790681 89503 303B35064 B25063 a-Alanine, conf. II
651322.5576208.3404 -4.2504 3 1377.1792681 89503 303B35063 B25062 a-Alanine, conf. II
651352.6660 15.6337 -4.2781 3 729.6347459 89503 303765323 755224 a-Alanine, conf. II
651352.6660 15.6337 -4.2781 3 729.6347459 89503 303765324 755223 a-Alanine, conf. II
651407.1345135.1313 -4.2907 3 618.0745465 89503 303772948 762749 a-Alanine, conf. II
651430.7506179.7270 -4.3023 3 724.9765501 89503 303833350 823151 a-Alanine, conf. II
651439.6883228.9508 -4.1625 3 1338.6703675 89503 303B24766 B14765 a-Alanine, conf. II
651573.7125 22.4099 -4.1344 3 707.3126417 89503 3036962 7 6861 8 a-Alanine, conf. II
651573.7125 22.4099 -4.1344 3 707.3126417 89503 3036962 8 6861 7 a-Alanine, conf. II
651635.4041 86.5352 -4.1013 3 1314.9711675 89503 303B24171 B14170 a-Alanine, conf. II
651644.2989 22.0943 -4.3014 3 727.6095501 89503 303833449 823250 a-Alanine, conf. II
651683.3344108.6563 -4.2946 3 1422.6900717 89503 303B93485 B83484 a-Alanine, conf. II
651683.3344108.6563 -4.2946 3 1422.6900717 89503 303B93585 B83584 a-Alanine, conf. II
651981.2474254.2133 -4.1618 3 1338.6899675 89503 303B24765 B14764 a-Alanine, conf. II
652073.5702 29.6970 -4.0924 3 705.8008399 89503 3036666 0 6565 1 a-Alanine, conf. II
652073.5702 29.6970 -4.0924 3 705.8008399 89503 3036666 1 6565 0 a-Alanine, conf. II
652187.5979 16.3579 -4.2083 3 718.4672441 89503 303735716 725617 a-Alanine, conf. II
652187.5979 16.3579 -4.2083 3 718.4672441 89503 303735717 725616 a-Alanine, conf. II
652460.7639 16.3423 -4.3042 3 736.7165465 89503 303775225 765126 a-Alanine, conf. II
652460.7639 16.3423 -4.3042 3 736.7165465 89503 303775226 765125 a-Alanine, conf. II
652630.7648114.2763 -4.3177 3 1436.7926723 89503 303C03387 B93386 a-Alanine, conf. II
652630.7648114.2763 -4.3177 3 1436.7926723 89503 303C03487 B93486 a-Alanine, conf. II
652821.1448 20.8037 -4.1519 3 711.5900423 89503 3037061 9 696010 a-Alanine, conf. II
652821.1448 20.8037 -4.1519 3 711.5900423 89503 303706110 6960 9 a-Alanine, conf. II
652937.8440 86.1859 -4.2016 3 1369.3835693 89503 303B54076 B44075 a-Alanine, conf. II
652947.2476 86.2268 -4.2016 3 1369.3829693 89503 303B53976 B43975 a-Alanine, conf. II
653104.7446 10.5611 -4.2576 3 584.2960447 89503 303743342 733143 a-Alanine, conf. II
653118.9356 82.0227 -4.1720 3 1353.3169687 89503 303B44174 B34173 a-Alanine, conf. II
653154.1642 90.9001 -4.2295 3 1385.0468699 89503 303B63978 B53977 a-Alanine, conf. II
653154.7977 90.9049 -4.2295 3 1385.0468699 89503 303B63878 B53877 a-Alanine, conf. II
653196.8768 7.8540 -4.2833 3 497.0419405 89503 303673532 663333 a-Alanine, conf. II
653197.0943 7.8543 -4.2833 3 497.0419405 89503 303673533 663334 a-Alanine, conf. II
653221.0100 65.5211 -4.3147 3 711.0628495 89503 303823448 813249 a-Alanine, conf. II
653234.1846 82.2804 -4.1718 3 1353.3090687 89503 303B44074 B34073 a-Alanine, conf. II
653268.4759219.4656 -4.2312 3 1371.2983681 89503 303B34965 B24964 a-Alanine, conf. II
653301.7938221.3437 -4.2311 3 1371.2993681 89503 303B34964 B24963 a-Alanine, conf. II
653343.6671 27.6266 -4.1070 3 708.8985405 89503 3036765 2 6664 3 a-Alanine, conf. II
653343.6671 27.6266 -4.1070 3 708.8985405 89503 3036765 3 6664 2 a-Alanine, conf. II
653380.0569 15.8595 -4.2302 3 724.3011447 89503 303745618 735519 a-Alanine, conf. II
653380.0569 15.8595 -4.2302 3 724.3011447 89503 303745619 735518 a-Alanine, conf. II
653640.1942 96.1764 -4.2562 3 1400.3544705 89503 303B73880 B63879 a-Alanine, conf. II
653640.2305 96.1768 -4.2562 3 1400.3544705 89503 303B73780 B63779 a-Alanine, conf. II
653707.7735 41.9721 -4.2852 3 527.6515435 89503 303722448 712249 a-Alanine, conf. II
653710.1949 79.0275 -4.1405 3 1336.7885681 89503 303B34272 B24271 a-Alanine, conf. II
653755.2001 94.2484 -4.1088 3 1319.8004675 89503 303B24370 B14369 a-Alanine, conf. II
653760.0782 41.7552 -4.2851 3 527.6515435 89503 303722548 712349 a-Alanine, conf. II
653864.3372 8.6641 -4.2644 3 532.2861423 89503 303703436 693237 a-Alanine, conf. II
653893.6572 8.7009 -4.2643 3 532.2851423 89503 303703437 693238 a-Alanine, conf. II
653991.8464 81.0641 -3.9732 3 1253.5076657 89503 303A94267 A84266 a-Alanine, conf. II
653999.3468319.1238 -3.9815 3 1256.5197657 89503 303A94366 A84365 a-Alanine, conf. II
654020.6304229.8926 -4.1443 3 1333.6076675 89503 303B24667 B14666 a-Alanine, conf. II
654059.3709 19.3765 -4.1703 3 716.2139429 89503 303716011 705912 a-Alanine, conf. II
654059.3709 19.3765 -4.1703 3 716.2139429 89503 303716012 705911 a-Alanine, conf. II
654300.3558203.7414 -4.3207 3 1411.3147687 89503 303B45263 B35262 a-Alanine, conf. II
654300.5558203.7555 -4.3207 3 1411.3147687 89503 303B45262 B35261 a-Alanine, conf. II
654308.5017101.8609 -4.2818 3 1415.3392711 89503 303B83782 B73781 a-Alanine, conf. II
654308.5035101.8609 -4.2818 3 1415.3392711 89503 303B83682 B73681 a-Alanine, conf. II
654463.4224 42.6872 -4.2627 3 625.1323465 89503 303773246 763047 a-Alanine, conf. II
654553.5808 15.7070 -4.2532 3 730.4925453 89503 303755520 745421 a-Alanine, conf. II
654553.5808 15.7070 -4.2532 3 730.4925453 89503 303755521 745420 a-Alanine, conf. II
654608.1532 25.6607 -4.1223 3 712.3375411 89503 3036864 4 6763 5 a-Alanine, conf. II
654608.1532 25.6607 -4.1223 3 712.3375411 89503 3036864 5 6763 4 a-Alanine, conf. II
654616.0696 67.4589 -4.3040 3 744.3021507 89503 303843450 833251 a-Alanine, conf. II
654632.0167 7.5738 -4.3091 3 476.3234393 89503 303653629 643430 a-Alanine, conf. II
654632.0192 7.5738 -4.3091 3 476.3234393 89503 303653630 643431 a-Alanine, conf. II
654810.3101 83.3645 -4.1388 3 1336.7074681 89503 303B34172 B24171 a-Alanine, conf. II
654907.2692 70.2097 -4.2653 3 621.7278465 89503 303773147 762948 a-Alanine, conf. II
654918.1857404.1622 -4.0347 3 1281.6945663 89503 303B04466 A94465 a-Alanine, conf. II
655104.6759107.7459 -4.3064 3 1430.0246717 89503 303B93684 B83683 a-Alanine, conf. II
655104.6760107.7459 -4.3064 3 1430.0246717 89503 303B93584 B83583 a-Alanine, conf. II
655116.0843383.8604 -4.0888 3 1307.4393669 89503 303B14566 B04565 a-Alanine, conf. II
655286.8865 18.1643 -4.1896 3 721.1865435 89503 303725913 715814 a-Alanine, conf. II
655286.8865 18.1643 -4.1896 3 721.1865435 89503 303725914 715813 a-Alanine, conf. II
655540.4179232.8162 -4.2122 3 1365.6968681 89503 303B34866 B24865 a-Alanine, conf. II
655704.7046 15.9156 -4.2773 3 737.0446459 89503 303765422 755323 a-Alanine, conf. II
655704.7046 15.9156 -4.2773 3 737.0446459 89503 303765423 755322 a-Alanine, conf. II
655735.4417242.9318 -4.2119 3 1365.7034681 89503 303B34865 B24864 a-Alanine, conf. II
655857.9335 11.6426 -4.2636 3 598.8027453 89503 303753343 743144 a-Alanine, conf. II
655866.2182 23.8150 -4.1385 3 716.1190417 89503 3036963 6 6862 7 a-Alanine, conf. II
655866.2182 23.8150 -4.1385 3 716.1190417 89503 3036963 7 6862 6 a-Alanine, conf. II
655866.2519211.9470 -4.3010 3 1404.9862687 89503 303B45164 B35163 a-Alanine, conf. II
655867.7784212.0475 -4.3010 3 1404.9863687 89503 303B45163 B35162 a-Alanine, conf. II
655968.2903201.8500 -4.1281 3 1328.8520675 89503 303B24568 B14567 a-Alanine, conf. II
656075.7347144.5831 -4.1160 3 1324.3121675 89503 303B24469 B14468 a-Alanine, conf. II
656087.0714 50.9385 -4.2821 3 545.3898441 89503 303732548 722349 a-Alanine, conf. II
656266.1643 50.1427 -4.2818 3 545.3900441 89503 303732648 722449 a-Alanine, conf. II
656447.7228101.0238 -4.2855 3 599.6664459 89503 303762848 752649 a-Alanine, conf. II
656474.4724328.8349 -4.1411 3 1333.7097675 89503 303B24666 B14665 a-Alanine, conf. II
656501.9013 17.2088 -4.2099 3 726.5097441 89503 303735815 725716 a-Alanine, conf. II
656501.9013 17.2088 -4.2099 3 726.5097441 89503 303735816 725715 a-Alanine, conf. II
656829.2313 16.4797 -4.3026 3 743.9611465 89503 303775324 765225 a-Alanine, conf. II
656829.2313 16.4797 -4.3026 3 743.9611465 89503 303775325 765224 a-Alanine, conf. II
656899.1981 77.4706 -4.0133 3 1275.3224663 89503 303B04268 A94267 a-Alanine, conf. II
657061.3843 90.2612 -4.2377 3 1391.1632699 89503 303B64077 B54076 a-Alanine, conf. II
657066.0284 90.2859 -4.2377 3 1391.1629699 89503 303B63977 B53976 a-Alanine, conf. II
657116.9014 22.1102 -4.1556 3 720.2446423 89503 3037062 8 6961 9 a-Alanine, conf. II
657116.9014 22.1102 -4.1556 3 720.2446423 89503 3037062 9 6961 8 a-Alanine, conf. II
657133.6566 85.8564 -4.2083 3 1375.1026693 89503 303B54175 B44174 a-Alanine, conf. II
657193.6459 86.0152 -4.2082 3 1375.0986693 89503 303B54075 B44074 a-Alanine, conf. II
657351.4552 95.2500 -4.2655 3 1406.8337705 89503 303B73979 B63978 a-Alanine, conf. II
657351.7551 95.2527 -4.2655 3 1406.8337705 89503 303B73879 B63878 a-Alanine, conf. II
657378.8694 9.0361 -4.2678 3 545.8563429 89503 303713437 703238 a-Alanine, conf. II
657432.4157 8.2287 -4.2841 3 509.9333411 89503 303683533 673334 a-Alanine, conf. II
657432.9806 8.2296 -4.2840 3 509.9333411 89503 303683534 673335 a-Alanine, conf. II
657445.3340 9.1064 -4.2677 3 545.8540429 89503 303713438 703239 a-Alanine, conf. II
657629.8444 29.2693 -4.1125 3 718.1520405 89503 3036766 1 6665 2 a-Alanine, conf. II
657629.8444 29.2693 -4.1125 3 718.1520405 89503 3036766 2 6665 1 a-Alanine, conf. II
657655.2668 82.1365 -4.1771 3 1358.5940687 89503 303B44273 B34272 a-Alanine, conf. II
657657.9671222.3440 -4.2816 3 1398.9047687 89503 303B45065 B35064 a-Alanine, conf. II
657668.5939222.9984 -4.2816 3 1398.9050687 89503 303B45064 B35063 a-Alanine, conf. II
657699.5177 62.2100 -4.2809 3 563.3107447 89503 303742648 732449 a-Alanine, conf. II
657702.2800 16.5532 -4.2312 3 732.1860447 89503 303745717 735618 a-Alanine, conf. II
657702.2800 16.5532 -4.2312 3 732.1860447 89503 303745718 735617 a-Alanine, conf. II
657884.3631100.7858 -4.2922 3 1422.1575711 89503 303B83881 B73880 a-Alanine, conf. II
657884.3796100.7860 -4.2922 3 1422.1575711 89503 303B83781 B73780 a-Alanine, conf. II
658070.2465 88.2086 -4.1447 3 1341.6073681 89503 303B34371 B24370 a-Alanine, conf. II
658105.3327242.8974 -4.1935 3 1360.4000681 89503 303B34767 B24766 a-Alanine, conf. II
658105.8112 77.7011 -4.2819 3 581.4063453 89503 303752748 742549 a-Alanine, conf. II
658272.1721 84.0032 -4.1761 3 1358.5495687 89503 303B44173 B34172 a-Alanine, conf. II
658273.2313 59.5181 -4.2802 3 563.3115447 89503 303742748 732549 a-Alanine, conf. II
658359.0636 20.5733 -4.1735 3 724.7157429 89503 303716110 706011 a-Alanine, conf. II
658359.0636 20.5733 -4.1735 3 724.7157429 89503 303716111 706010 a-Alanine, conf. II
658825.3461 14.0422 -4.2705 3 613.5229459 89503 303763344 753145 a-Alanine, conf. II
658857.7701113.7762 -4.0551 3 1297.2342669 89503 303B14269 B04268 a-Alanine, conf. II
658885.4692 16.2352 -4.2536 3 738.2180453 89503 303755619 745520 a-Alanine, conf. II
658885.4692 16.2352 -4.2536 3 738.2180453 89503 303755620 745519 a-Alanine, conf. II
658896.3799 27.2205 -4.1274 3 721.4414411 89503 3036865 3 6764 4 a-Alanine, conf. II
658896.3799 27.2205 -4.1274 3 721.4414411 89503 3036865 4 6764 3 a-Alanine, conf. II
659096.1017289.0321 -4.1922 3 1360.4376681 89503 303B34766 B24765 a-Alanine, conf. II
659203.7678 7.8419 -4.3078 3 488.7726399 89503 303663630 653431 a-Alanine, conf. II
659203.7748 7.8419 -4.3078 3 488.7726399 89503 303663631 653432 a-Alanine, conf. II
659591.3540 19.2379 -4.1923 3 729.5343435 89503 303726012 715913 a-Alanine, conf. II
659591.3540 19.2379 -4.1923 3 729.5343435 89503 303726013 715912 a-Alanine, conf. II
659737.1773235.3101 -4.2625 3 1393.0890687 89503 303B44966 B34965 a-Alanine, conf. II
659803.8915239.1208 -4.2624 3 1393.0911687 89503 303B44965 B34964 a-Alanine, conf. II
659811.8714 69.4185 -4.2799 3 581.4093453 89503 303752848 742649 a-Alanine, conf. II
660048.4034 16.2789 -4.2771 3 744.6087459 89503 303765521 755422 a-Alanine, conf. II
660048.4034 16.2789 -4.2771 3 744.6087459 89503 303765522 755421 a-Alanine, conf. II
660156.8942 25.2864 -4.1432 3 725.0725417 89503 3036964 5 6863 6 a-Alanine, conf. II
660156.8942 25.2864 -4.1432 3 725.0725417 89503 3036964 6 6863 5 a-Alanine, conf. II
660556.6016125.7294 -4.0966 3 1319.2113675 89503 303B24270 B14269 a-Alanine, conf. II
660586.3448234.4439 -4.1758 3 1355.4234681 89503 303B34668 B24667 a-Alanine, conf. II
660669.7603 9.4344 -4.2720 3 559.6444435 89503 303723438 713239 a-Alanine, conf. II
660812.1682 18.1440 -4.2121 3 734.7023441 89503 303735914 725815 a-Alanine, conf. II
660812.1682 18.1440 -4.2121 3 734.7023441 89503 303735915 725814 a-Alanine, conf. II
660816.2927 9.5378 -4.2718 3 559.6394435 89503 303723439 713240 a-Alanine, conf. II
661086.4843 78.5109 -4.2809 3 599.6763459 89503 303762948 752749 a-Alanine, conf. II
661174.2679 89.8520 -4.2449 3 1397.0223699 89503 303B64176 B54175 a-Alanine, conf. II
661177.6880128.1885 -4.1506 3 1346.1965681 89503 303B34470 B24469 a-Alanine, conf. II
661187.3874 16.6885 -4.3017 3 751.3615465 89503 303775423 765324 a-Alanine, conf. II
661187.3874 16.6885 -4.3017 3 751.3615465 89503 303775424 765323 a-Alanine, conf. II
661202.4088 94.5138 -4.2741 3 1413.0804705 89503 303B74078 B64077 a-Alanine, conf. II
661204.6770 94.5283 -4.2741 3 1413.0802705 89503 303B73978 B63977 a-Alanine, conf. II
661205.0395 89.9526 -4.2449 3 1397.0202699 89503 303B64076 B54075 a-Alanine, conf. II
661208.4996242.4010 -4.0111 3 1278.3348663 89503 303B04367 A94366 a-Alanine, conf. II
661410.5199 23.4857 -4.1598 3 729.0468423 89503 3037063 7 6962 8 a-Alanine, conf. II
661410.5199 23.4857 -4.1598 3 729.0468423 89503 3037063 8 6962 7 a-Alanine, conf. II
661557.9077 99.7833 -4.3019 3 1428.7606711 89503 303B83980 B73979 a-Alanine, conf. II
661558.0484 99.7847 -4.3019 3 1428.7606711 89503 303B83880 B73879 a-Alanine, conf. II
661559.7367 8.6291 -4.2857 3 523.0330417 89503 303693534 683335 a-Alanine, conf. II
661561.1658 8.6315 -4.2857 3 523.0329417 89503 303693535 683336 a-Alanine, conf. II
661582.3147 57.9609 -4.2790 3 640.2078471 89503 303783247 773048 a-Alanine, conf. II
661594.1920 85.7474 -4.2139 3 1380.5310693 89503 303B54274 B44273 a-Alanine, conf. II
661914.6951 30.9758 -4.1184 3 727.5516405 89503 3036767 0 6666 1 a-Alanine, conf. II
661914.6951 30.9758 -4.1184 3 727.5516405 89503 3036767 1 6666 0 a-Alanine, conf. II
661932.2274 86.5956 -4.2134 3 1380.5071693 89503 303B54174 B44173 a-Alanine, conf. II
661987.1995191.2233 -4.1608 3 1350.7328681 89503 303B34569 B24568 a-Alanine, conf. II
662019.5984 17.3351 -4.2329 3 740.2219447 89503 303745816 735717 a-Alanine, conf. II
662019.5984 17.3351 -4.2329 3 740.2219447 89503 303745817 735716 a-Alanine, conf. II
662147.6889249.1379 -4.2436 3 1387.5633687 89503 303B44867 B34866 a-Alanine, conf. II
662198.0968 86.2975 -4.1813 3 1363.5581687 89503 303B44372 B34371 a-Alanine, conf. II
662244.2501 19.2389 -4.2786 3 628.4495465 89503 303773345 763146 a-Alanine, conf. II
662463.5123 35.1899 -4.3113 3 523.2924435 89503 303722349 712150 a-Alanine, conf. II
662470.0136 35.1632 -4.3113 3 523.2924435 89503 303722449 712250 a-Alanine, conf. II
662513.9032117.3312 -4.1372 3 1341.2451681 89503 303B34271 B24270 a-Alanine, conf. II
662518.4364268.4996 -4.2431 3 1387.5764687 89503 303B44866 B34865 a-Alanine, conf. II
662603.9700 84.2936 -4.2834 3 618.1057465 89503 303773048 762849 a-Alanine, conf. II
662656.2302 21.8429 -4.1772 3 733.3657429 89503 3037162 9 706110 a-Alanine, conf. II
662656.2302 21.8429 -4.1772 3 733.3657429 89503 303716210 7061 9 a-Alanine, conf. II
663183.1168 28.8449 -4.1330 3 730.6917411 89503 3036866 2 6765 3 a-Alanine, conf. II
663183.1168 28.8449 -4.1330 3 730.6917411 89503 3036866 3 6765 2 a-Alanine, conf. II
663211.3697 16.8525 -4.2547 3 746.0956453 89503 303755718 745619 a-Alanine, conf. II
663211.3697 16.8525 -4.2547 3 746.0956453 89503 303755719 745618 a-Alanine, conf. II
663681.3522 9.9672 -4.2770 3 573.6538441 89503 303733439 723240 a-Alanine, conf. II
663700.8425 8.1611 -4.3075 3 501.4258405 89503 303673631 663432 a-Alanine, conf. II
663700.8623 8.1611 -4.3075 3 501.4258405 89503 303673632 663433 a-Alanine, conf. II
663892.8091 20.3892 -4.1956 3 738.0310435 89503 303726111 716012 a-Alanine, conf. II
663892.8091 20.3892 -4.1956 3 738.0310435 89503 303726112 716011 a-Alanine, conf. II
663952.2939396.4995 -4.0609 3 1303.5402669 89503 303B14467 B04466 a-Alanine, conf. II
663995.2629 10.0156 -4.2766 3 573.6428441 89503 303733440 723241 a-Alanine, conf. II
664184.0423439.4687 -4.1160 3 1329.2917675 89503 303B24567 B14566 a-Alanine, conf. II
664384.7617 16.7277 -4.2775 3 752.3261459 89503 303765620 755521 a-Alanine, conf. II
664384.7617 16.7277 -4.2775 3 752.3261459 89503 303765621 755520 a-Alanine, conf. II
664445.8699 26.8240 -4.1483 3 734.1728417 89503 3036965 4 6864 5 a-Alanine, conf. II
664445.8699 26.8240 -4.1483 3 734.1728417 89503 3036965 5 6864 4 a-Alanine, conf. II
664673.5611391.9041 -4.1702 3 1355.6074681 89503 303B34667 B24666 a-Alanine, conf. II
664770.2054254.8229 -4.2251 3 1382.3520687 89503 303B44768 B34767 a-Alanine, conf. II
664941.4967104.5030 -4.1768 3 1363.3442687 89503 303B44272 B34271 a-Alanine, conf. II
665118.8163 19.1621 -4.2149 3 743.0445441 89503 303736013 725914 a-Alanine, conf. II
665118.8163 19.1621 -4.2149 3 743.0445441 89503 303736014 725913 a-Alanine, conf. II
665228.1203 83.6427 -4.2886 3 636.6932471 89503 303783148 772949 a-Alanine, conf. II
665239.4682 94.0147 -4.2818 3 1419.0767705 89503 303B74177 B64176 a-Alanine, conf. II
665255.0425 94.0780 -4.2818 3 1419.0756705 89503 303B74077 B64076 a-Alanine, conf. II
665536.5080 16.9748 -4.3015 3 758.9166465 89503 303775522 765423 a-Alanine, conf. II
665536.5080 16.9748 -4.3015 3 758.9166465 89503 303775523 765422 a-Alanine, conf. II
665545.6006 89.6388 -4.2510 3 1402.5994699 89503 303B64275 B54274 a-Alanine, conf. II
665567.3564 9.0460 -4.2881 3 536.3421423 89503 303703535 693336 a-Alanine, conf. II
665570.8793 9.0523 -4.2881 3 536.3420423 89503 303703536 693337 a-Alanine, conf. II
665581.6128 42.8393 -4.3070 3 541.1092441 89503 303732449 722250 a-Alanine, conf. II
665606.0353 42.7302 -4.3069 3 541.1093441 89503 303732549 722350 a-Alanine, conf. II
665702.1701 24.9298 -4.1645 3 737.9963423 89503 3037064 6 6963 7 a-Alanine, conf. II
665702.1701 24.9298 -4.1645 3 737.9963423 89503 3037064 7 6963 6 a-Alanine, conf. II
665727.2138 90.0724 -4.2508 3 1402.5868699 89503 303B64175 B54174 a-Alanine, conf. II
665932.6914113.7118 -4.1863 3 1368.2510687 89503 303B44471 B34470 a-Alanine, conf. II
666204.9196 87.3468 -4.2185 3 1385.6467693 89503 303B54373 B44372 a-Alanine, conf. II
666257.7033252.2793 -4.2944 3 1415.0955693 89503 303B54967 B44966 a-Alanine, conf. II
666327.5490 10.9773 -4.2830 3 587.8889447 89503 303743440 733241 a-Alanine, conf. II
666332.5424 18.2044 -4.2351 3 748.4083447 89503 303745915 735816 a-Alanine, conf. II
666332.5424 18.2044 -4.2351 3 748.4083447 89503 303745916 735815 a-Alanine, conf. II
666385.9291 28.3375 -4.2887 3 643.5732471 89503 303783346 773147 a-Alanine, conf. II
666388.6310259.8419 -4.2942 3 1415.0998693 89503 303B54966 B44965 a-Alanine, conf. II
666527.8605335.6874 -4.2228 3 1382.4227687 89503 303B44767 B34766 a-Alanine, conf. II
666726.4685144.9105 -4.0457 3 1300.3904669 89503 303B14368 B04367 a-Alanine, conf. II
666951.0902 23.1845 -4.1815 3 742.1636429 89503 3037163 8 7062 9 a-Alanine, conf. II
666951.0902 23.1845 -4.1815 3 742.1636429 89503 3037163 9 7062 8 a-Alanine, conf. II
666980.0957 10.5607 -4.2822 3 587.8661447 89503 303743441 733242 a-Alanine, conf. II
667003.2472233.1755 -4.2082 3 1377.4582687 89503 303B44669 B34668 a-Alanine, conf. II
667468.4450 30.5342 -4.1390 3 740.0882411 89503 3036867 1 6766 2 a-Alanine, conf. II
667468.4450 30.5342 -4.1390 3 740.0882411 89503 3036867 2 6766 1 a-Alanine, conf. II
667531.9556 17.5597 -4.2563 3 754.1246453 89503 303755817 745718 a-Alanine, conf. II
667531.9556 17.5597 -4.2563 3 754.1246453 89503 303755818 745717 a-Alanine, conf. II
667677.3852175.5811 -4.1948 3 1372.8143687 89503 303B44570 B34569 a-Alanine, conf. II
667828.0660 96.3993 -4.2159 3 1385.5243693 89503 303B54273 B44272 a-Alanine, conf. II
668191.5338 21.6166 -4.1993 3 746.6762435 89503 303726210 716111 a-Alanine, conf. II
668191.5338 21.6166 -4.1993 3 746.6762435 89503 303726211 716110 a-Alanine, conf. II
668473.1184 13.3183 -4.2900 3 602.3564453 89503 303753441 743242 a-Alanine, conf. II
668714.6339 17.2652 -4.2785 3 760.1961459 89503 303765719 755620 a-Alanine, conf. II
668714.6339 17.2652 -4.2785 3 760.1961459 89503 303765720 755619 a-Alanine, conf. II
668733.2549 28.4276 -4.1539 3 743.4198417 89503 3036966 3 6865 4 a-Alanine, conf. II
668733.2549 28.4276 -4.1539 3 743.4198417 89503 3036966 4 6865 3 a-Alanine, conf. II
668793.9542265.3026 -4.2755 3 1409.6501693 89503 303B54868 B44867 a-Alanine, conf. II
669422.2049 20.2615 -4.2181 3 751.5359441 89503 303736112 726013 a-Alanine, conf. II
669422.2049 20.2615 -4.2181 3 751.5359441 89503 303736113 726012 a-Alanine, conf. II
669441.3796 9.4698 -4.2914 3 549.8622429 89503 303713536 703337 a-Alanine, conf. II
669449.8416 9.4849 -4.2914 3 549.8619429 89503 303713537 703338 a-Alanine, conf. II
669481.6335301.2866 -4.2747 3 1409.6756693 89503 303B54867 B44866 a-Alanine, conf. II
669519.0704 93.7275 -4.2885 3 1424.7996705 89503 303B74276 B64275 a-Alanine, conf. II
669614.9715 93.9766 -4.2883 3 1424.7930705 89503 303B74176 B64175 a-Alanine, conf. II
669786.6135 11.1791 -4.2884 3 602.3103453 89503 303753442 743243 a-Alanine, conf. II
669877.6802 17.3438 -4.3019 3 766.6256465 89503 303775621 765522 a-Alanine, conf. II
669877.6802 17.3438 -4.3019 3 766.6256465 89503 303775622 765521 a-Alanine, conf. II
669909.3818 18.4935 -4.2982 3 617.0659459 89503 303763442 753243 a-Alanine, conf. II
669991.9968 26.4419 -4.1696 3 747.0930423 89503 3037065 5 6964 6 a-Alanine, conf. II
669991.9968 26.4419 -4.1696 3 747.0930423 89503 3037065 6 6964 5 a-Alanine, conf. II
670020.2855 74.5681 -4.2990 3 655.4420477 89503 303793248 783049 a-Alanine, conf. II
670145.7165 90.1114 -4.2560 3 1407.8689699 89503 303B64374 B54373 a-Alanine, conf. II
670388.4316103.4190 -4.2230 3 1390.4641693 89503 303B54472 B44471 a-Alanine, conf. II
670534.8656 76.4261 -4.0848 3 1322.6300675 89503 303B24369 B14368 a-Alanine, conf. II
670641.5686 19.1603 -4.2378 3 756.7446447 89503 303746014 735915 a-Alanine, conf. II
670641.5686 19.1603 -4.2378 3 756.7446447 89503 303746015 735914 a-Alanine, conf. II
671075.2867 94.1007 -4.2546 3 1407.8006699 89503 303B64274 B54273 a-Alanine, conf. II
671243.8321 24.5970 -4.1862 3 751.1091429 89503 3037164 7 7063 8 a-Alanine, conf. II
671243.8321 24.5970 -4.1862 3 751.1091429 89503 3037164 8 7063 7 a-Alanine, conf. II
671390.3648263.0404 -4.2574 3 1404.5264693 89503 303B54769 B44768 a-Alanine, conf. II
671752.4321 32.2885 -4.1455 3 749.6307411 89503 3036868 0 6767 1 a-Alanine, conf. II
671752.4321 32.2885 -4.1455 3 749.6307411 89503 3036868 1 6767 0 a-Alanine, conf. II
671847.8055 18.3571 -4.2585 3 762.3045453 89503 303755916 745817 a-Alanine, conf. II
671847.8055 18.3571 -4.2585 3 762.3045453 89503 303755917 745816 a-Alanine, conf. II
672083.5560336.8999 -4.0894 3 1325.6872675 89503 303B24468 B14467 a-Alanine, conf. II
672460.9420 11.8687 -4.2952 3 616.9756459 89503 303763443 753244 a-Alanine, conf. II
672487.7706 22.9191 -4.2036 3 755.4696435 89503 3037263 9 716210 a-Alanine, conf. II
672487.7706 22.9191 -4.2036 3 755.4696435 89503 303726310 7162 9 a-Alanine, conf. II
672989.0089105.0110 -4.1270 3 1344.9966681 89503 303B34370 B24369 a-Alanine, conf. II
673004.5004157.0740 -4.2299 3 1395.0856693 89503 303B54571 B44570 a-Alanine, conf. II
673019.1416 30.0974 -4.1600 3 752.8131417 89503 3036967 2 6866 3 a-Alanine, conf. II
673019.1416 30.0974 -4.1600 3 752.8131417 89503 3036967 3 6866 2 a-Alanine, conf. II
673038.7529 17.8934 -4.2802 3 768.2179459 89503 303765818 755719 a-Alanine, conf. II
673038.7529 17.8934 -4.2802 3 768.2179459 89503 303765819 755718 a-Alanine, conf. II
673164.4296 9.8919 -4.2955 3 563.5947435 89503 303723537 713338 a-Alanine, conf. II
673184.2335 9.9251 -4.2955 3 563.5941435 89503 303723538 713339 a-Alanine, conf. II
673196.6416225.2001 -4.2415 3 1399.7070693 89503 303B54670 B44669 a-Alanine, conf. II
673441.3919463.8375 -4.1431 3 1351.4465681 89503 303B34568 B24567 a-Alanine, conf. II
673444.1611461.1054 -4.1991 3 1377.7785687 89503 303B44668 B34667 a-Alanine, conf. II
673722.6437 21.4408 -4.2219 3 760.1761441 89503 303736211 726112 a-Alanine, conf. II
673722.6437 21.4408 -4.2219 3 760.1761441 89503 303736212 726111 a-Alanine, conf. II
674061.0110 93.7519 -4.2940 3 1430.2226705 89503 303B74375 B64374 a-Alanine, conf. II
674280.1233 28.0218 -4.1753 3 756.3364423 89503 3037066 4 6965 5 a-Alanine, conf. II
674280.1233 28.0218 -4.1753 3 756.3364423 89503 3037066 5 6965 4 a-Alanine, conf. II
674395.1711397.3026 -4.2535 3 1404.6557693 89503 303B54768 B44767 a-Alanine, conf. II
674579.7235 95.4766 -4.2932 3 1430.1853705 89503 303B74275 B64274 a-Alanine, conf. II
674609.8169 98.1537 -4.2605 3 1412.8259699 89503 303B64473 B54472 a-Alanine, conf. II
674729.3980139.3204 -4.1701 3 1367.4451687 89503 303B44371 B34370 a-Alanine, conf. II
674947.0704 20.2012 -4.2411 3 765.2305447 89503 303746113 736014 a-Alanine, conf. II
674947.0704 20.2012 -4.2411 3 765.2305447 89503 303746114 736013 a-Alanine, conf. II
675534.6173 26.0799 -4.1914 3 760.2018429 89503 3037165 6 7064 7 a-Alanine, conf. II
675534.6173 26.0799 -4.1914 3 760.2018429 89503 3037165 7 7064 6 a-Alanine, conf. II
676159.4174 19.2443 -4.2612 3 770.6347453 89503 303756015 745916 a-Alanine, conf. II
676159.4174 19.2443 -4.2612 3 770.6347453 89503 303756016 745915 a-Alanine, conf. II
676419.7847142.6572 -4.2126 3 1389.9516693 89503 303B54372 B44371 a-Alanine, conf. II
676781.7280 24.2954 -4.2083 3 764.4107435 89503 3037264 8 7163 9 a-Alanine, conf. II
676781.7280 24.2954 -4.2083 3 764.4107435 89503 3037264 9 7163 8 a-Alanine, conf. II
677303.6079 31.8334 -4.1665 3 762.3526417 89503 3036968 1 6867 2 a-Alanine, conf. II
677303.6079 31.8334 -4.1665 3 762.3526417 89503 3036968 2 6867 1 a-Alanine, conf. II
677357.7488 18.6136 -4.2824 3 776.3911459 89503 303765917 755818 a-Alanine, conf. II
677357.7488 18.6136 -4.2824 3 776.3911459 89503 303765918 755817 a-Alanine, conf. II
677906.1900265.7313 -4.2906 3 1426.9215699 89503 303B64770 B54769 a-Alanine, conf. II
677966.6061138.6991 -4.2662 3 1417.5346699 89503 303B64572 B54571 a-Alanine, conf. II
678020.3996 22.6985 -4.2262 3 768.9647441 89503 303736310 726211 a-Alanine, conf. II
678020.3996 22.6985 -4.2262 3 768.9647441 89503 303736311 726210 a-Alanine, conf. II
678477.2420128.9621 -4.2541 3 1412.5146699 89503 303B64373 B54372 a-Alanine, conf. II
678566.6544 29.6693 -4.1814 3 765.7263423 89503 3037067 3 6966 4 a-Alanine, conf. II
678566.6544 29.6693 -4.1814 3 765.7263423 89503 3037067 4 6966 3 a-Alanine, conf. II
678722.9051236.8997 -4.1221 3 1348.1055681 89503 303B34469 B24468 a-Alanine, conf. II
679096.6435210.7260 -4.2760 3 1422.1624699 89503 303B64671 B54670 a-Alanine, conf. II
679249.3872 21.3259 -4.2449 3 773.8654447 89503 303746212 736113 a-Alanine, conf. II
679249.3872 21.3259 -4.2449 3 773.8654447 89503 303746213 736112 a-Alanine, conf. II
679823.5840 27.6326 -4.1971 3 769.4415429 89503 3037166 5 7065 6 a-Alanine, conf. II
679823.5840 27.6326 -4.1971 3 769.4415429 89503 3037166 6 7065 5 a-Alanine, conf. II
680467.2212 20.2201 -4.2645 3 779.1148453 89503 303756114 746015 a-Alanine, conf. II
680467.2212 20.2201 -4.2645 3 779.1148453 89503 303756115 746014 a-Alanine, conf. II
681073.5852 25.7447 -4.2136 3 773.4993435 89503 3037265 7 7164 8 a-Alanine, conf. II
681073.5852 25.7447 -4.2136 3 773.4993435 89503 3037265 8 7164 7 a-Alanine, conf. II
681586.7182 33.6358 -4.1734 3 772.0380417 89503 3036969 0 6868 1 a-Alanine, conf. II
681586.7182 33.6358 -4.1734 3 772.0380417 89503 3036969 1 6868 0 a-Alanine, conf. II
681672.1645 19.4259 -4.2851 3 784.7149459 89503 303766016 755917 a-Alanine, conf. II
681672.1645 19.4259 -4.2851 3 784.7149459 89503 303766017 755916 a-Alanine, conf. II
682259.8890433.5973 -4.1714 3 1373.9100687 89503 303B44569 B34568 a-Alanine, conf. II
682315.7027 24.0333 -4.2309 3 777.9013441 89503 3037364 9 726310 a-Alanine, conf. II
682315.7027 24.0333 -4.2309 3 777.9013441 89503 303736410 7263 9 a-Alanine, conf. II
682656.1303514.9346 -4.2277 3 1400.2422693 89503 303B54669 B44668 a-Alanine, conf. II
682809.3654472.4891 -4.2840 3 1427.1511699 89503 303B64769 B54768 a-Alanine, conf. II
682851.6784 31.3845 -4.1879 3 775.2626423 89503 3037068 2 6967 3 a-Alanine, conf. II
682851.6784 31.3845 -4.1879 3 775.2626423 89503 3037068 3 6967 2 a-Alanine, conf. II
683548.8119 22.5326 -4.2492 3 782.6491447 89503 303746311 736212 a-Alanine, conf. II
683548.8119 22.5326 -4.2492 3 782.6491447 89503 303746312 736211 a-Alanine, conf. II
683607.6769126.9795 -4.1597 3 1370.7453687 89503 303B44470 B34469 a-Alanine, conf. II
684110.8498 29.2548 -4.2032 3 778.8279429 89503 3037167 4 7066 5 a-Alanine, conf. II
684110.8498 29.2548 -4.2032 3 778.8279429 89503 3037167 5 7066 4 a-Alanine, conf. II
684771.5881 21.2833 -4.2683 3 787.7443453 89503 303756213 746114 a-Alanine, conf. II
684771.5881 21.2833 -4.2683 3 787.7443453 89503 303756214 746113 a-Alanine, conf. II
685363.4959 27.2663 -4.2193 3 782.7352435 89503 3037266 6 7165 7 a-Alanine, conf. II
685363.4959 27.2663 -4.2193 3 782.7352435 89503 3037266 7 7165 6 a-Alanine, conf. II
686608.7510 25.4441 -4.2362 3 786.9857441 89503 3037365 8 7264 9 a-Alanine, conf. II
686608.7510 25.4441 -4.2362 3 786.9857441 89503 3037365 9 7264 8 a-Alanine, conf. II
686852.2890 88.4636 -4.2014 3 1393.5480693 89503 303B54471 B44470 a-Alanine, conf. II
687135.2698 33.1674 -4.1949 3 784.9450423 89503 3037069 1 6968 2 a-Alanine, conf. II
687135.2698 33.1674 -4.1949 3 784.9450423 89503 3037069 2 6968 1 a-Alanine, conf. II
687845.5974 23.8201 -4.2540 3 791.5810447 89503 303746410 736311 a-Alanine, conf. II
687845.5974 23.8201 -4.2540 3 791.5810447 89503 303746411 736310 a-Alanine, conf. II
688396.5147 30.9463 -4.2098 3 788.3609429 89503 3037168 3 7067 4 a-Alanine, conf. II
688396.5147 30.9463 -4.2098 3 788.3609429 89503 3037168 4 7067 3 a-Alanine, conf. II
688931.9995137.7993 -4.2454 3 1416.4589699 89503 303B64472 B54471 a-Alanine, conf. II
689072.8386 22.4325 -4.2726 3 796.5228453 89503 303756312 746213 a-Alanine, conf. II
689072.8386 22.4325 -4.2726 3 796.5228453 89503 303756313 746212 a-Alanine, conf. II
689651.5917 28.8595 -4.2255 3 792.1180435 89503 3037267 5 7166 6 a-Alanine, conf. II
689651.5917 28.8595 -4.2255 3 792.1180435 89503 3037267 6 7166 5 a-Alanine, conf. II
689932.9034346.4815 -4.2026 3 1396.6678693 89503 303B54570 B44569 a-Alanine, conf. II
690899.7150 26.9300 -4.2419 3 796.2175441 89503 3037366 7 7265 8 a-Alanine, conf. II
690899.7150 26.9300 -4.2419 3 796.2175441 89503 3037366 8 7265 7 a-Alanine, conf. II
691417.4904 35.0182 -4.2024 3 794.7733423 89503 3037070 0 6969 1 a-Alanine, conf. II
691417.4904 35.0182 -4.2024 3 794.7733423 89503 3037070 1 6969 0 a-Alanine, conf. II
691865.4572522.3846 -4.2565 3 1423.0131699 89503 303B64670 B54669 a-Alanine, conf. II
692139.9621 25.1869 -4.2593 3 800.6609447 89503 3037465 9 736410 a-Alanine, conf. II
692139.9621 25.1869 -4.2593 3 800.6609447 89503 303746510 7364 9 a-Alanine, conf. II
692680.6634 32.7071 -4.2168 3 798.0401429 89503 3037169 2 7068 3 a-Alanine, conf. II
692680.6634 32.7071 -4.2168 3 798.0401429 89503 3037169 3 7068 2 a-Alanine, conf. II
693937.9851 30.5240 -4.2321 3 801.6474435 89503 3037268 4 7167 5 a-Alanine, conf. II
693937.9851 30.5240 -4.2321 3 801.6474435 89503 3037268 5 7167 4 a-Alanine, conf. II
695188.7412 28.4900 -4.2481 3 805.5965441 89503 3037367 6 7266 7 a-Alanine, conf. II
695188.7412 28.4900 -4.2481 3 805.5965441 89503 3037367 7 7266 6 a-Alanine, conf. II
695968.8329222.9305 -4.2383 3 1419.6815699 89503 303B64571 B54570 a-Alanine, conf. II
696432.0944 26.6319 -4.2650 3 809.8885447 89503 3037466 8 7365 9 a-Alanine, conf. II
696432.0944 26.6319 -4.2650 3 809.8885447 89503 3037466 9 7365 8 a-Alanine, conf. II
696963.3670 34.5370 -4.2243 3 807.8654429 89503 3037170 1 7069 2 a-Alanine, conf. II
696963.3670 34.5370 -4.2243 3 807.8654429 89503 3037170 2 7069 1 a-Alanine, conf. II
698222.7716 32.2595 -4.2392 3 811.3233435 89503 3037269 3 7168 4 a-Alanine, conf. II
698222.7716 32.2595 -4.2392 3 811.3233435 89503 3037269 4 7168 3 a-Alanine, conf. II
699475.9552 30.1236 -4.2548 3 815.1223441 89503 3037368 5 7267 6 a-Alanine, conf. II
699475.9552 30.1236 -4.2548 3 815.1223441 89503 3037368 6 7267 5 a-Alanine, conf. II
701244.6848 36.4364 -4.2323 3 817.8365429 89503 3037171 0 7070 1 a-Alanine, conf. II
701244.6848 36.4364 -4.2323 3 817.8365429 89503 3037171 1 7070 0 a-Alanine, conf. II
702506.0322 34.0658 -4.2467 3 821.1454435 89503 3037270 2 7169 3 a-Alanine, conf. II
702506.0322 34.0658 -4.2467 3 821.1454435 89503 3037270 3 7169 2 a-Alanine, conf. II
706787.8351 35.9429 -4.2547 3 831.1135435 89503 3037271 1 7170 2 a-Alanine, conf. II
706787.8351 35.9429 -4.2547 3 831.1135435 89503 3037271 2 7170 1 a-Alanine, conf. II