1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6775 .5115 .5870 .0240 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6646 .3252 .4666 -.1763 3 ASP 3 -1.3872 -.8452 999.9900 999.9900 .8104 -.4740 .6790 .3861 .5081 -.0714 4 THR 4 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6647 -.2583 .1263 -.8467 5 GLY 5 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5823 .4639 .5165 -.0274 6 GLU 6 -3.2255 -1.4588 999.9900 -1.0323 .6899 -1.2567 .6772 .5257 .5888 -.6373 7 VAL 7 .0815 999.9900 -.0276 999.9900 .7810 .2783 .6627 .1359 .3554 .3267 8 GLN 8 -.6834 -1.9601 999.9900 1.3059 .5113 -.2066 .6743 .5304 .5903 .0631 9 PHE 9 .2569 -.4306 999.9900 999.9900 .7573 .1945 .6774 .1059 .3440 .2734 10 MET 10 -.1559 .0266 999.9900 .9587 .5203 .3374 .6788 .5210 .5868 .4249 11 LYS 11 -.7523 -1.5020 999.9900 -.4035 .7460 -.4631 .4944 .1539 .2957 -.2382 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5394 -.3694 .0093 .2485 13 PHE 13 -.2457 -1.9363 999.9900 999.9900 .7573 -.4749 .6843 .1064 .3472 -.1268 14 ILE 14 .2866 -.2165 999.9900 999.9900 .6034 .2245 .6537 .0315 .2908 .2717 15 SER 15 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6738 .5325 .5914 .3821 16 GLU 16 .4426 -2.8418 999.9900 1.1588 .6899 -.1376 .6804 .5267 .5907 .1094 17 LYS 17 -2.0221 -2.1617 999.9900 -.4035 .7460 -.8490 .6720 .1600 .3733 -.4875 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6760 .5303 .5910 .2061 19 SER 19 .7360 999.9900 -.0289 999.9900 .6705 .4592 .6746 .5404 .5963 .5185 20 LYS 20 -3.5196 -1.3520 999.9900 .2868 .7460 -.7104 .6763 .1672 .3793 -.3869 21 SER 21 .1304 999.9900 -.7153 999.9900 .6705 .0285 .6770 .5300 .5913 .2585 22 LEU 22 -.4552 -2.3037 999.9900 999.9900 .9565 -.6008 .6811 .1630 .3789 -.1917 23 GLU 23 -.6163 -1.2470 999.9900 -1.0323 .6899 -.5514 .6822 .5226 .5891 -.1668 24 ILE 24 .0813 -.1471 999.9900 999.9900 .6034 .1792 .4755 .0288 .2149 .2084 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5580 -.3385 .0351 .2722 26 LEU 26 .8475 -2.9612 999.9900 999.9900 .9565 -.3857 .6751 .1520 .3699 -.0660 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5878 .4795 .5276 .6499 28 PHE 28 -.5116 -4.3038 999.9900 999.9900 .7573 -1.3527 .6736 .0989 .3384 -.6571 29 ASN 29 1.1678 -.1227 999.9900 999.9900 .7518 .5990 .6705 .3709 .4958 .5677 30 GLU 30 -.2702 .5461 999.9900 -1.0323 .6899 -.0166 .6785 .5278 .5906 .1900 31 TYR 31 -.5975 -4.1972 999.9900 999.9900 .5630 -1.4106 .6768 -.1743 .1803 -.7458 32 PHE 32 -3.0756 -2.3327 999.9900 999.9900 .7573 -1.5503 .4958 .1057 .2682 -.8099 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5464 -.3662 .0140 .0833 34 ALA 34 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .4852 .3219 .3899 .2795 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5437 -.3742 .0082 .2597 36 PHE 36 -.8715 -2.2382 999.9900 999.9900 .7573 -.7841 .4943 .1116 .2710 -.3493 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5365 -.3745 .0051 .1999 38 ILE 38 -1.5193 -1.6252 999.9900 999.9900 .6034 -.8470 .6599 .0383 .2973 -.3686 39 THR 39 .1631 999.9900 -.2947 999.9900 .4476 .1053 .6472 -.2657 .1147 .1395 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6609 .1178 .3441 .0180 41 ASP 41 -.5526 .6610 999.9900 999.9900 .8104 .3062 .6766 .3884 .5085 .3967 42 LEU 42 -.5178 -2.0611 999.9900 999.9900 .9565 -.5408 .6752 .1556 .3721 -.1583 43 LEU 43 -1.2966 -1.8410 999.9900 999.9900 .9565 -.7270 .6768 .1441 .3660 -.2720 44 ASP 44 -.5058 -1.9171 999.9900 999.9900 .8104 -.5375 .6768 .3790 .5031 -.1113 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6785 -.1829 .1760 -1.3677 46 SER 46 -.2118 999.9900 -.7153 999.9900 .6705 -.0855 .6747 .5255 .5876 .1887 47 GLY 47 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .5911 .4681 .5228 .1362 48 ARG 48 -.5733 -.8157 999.9900 .1593 .8581 -.0424 .6781 .5153 .5831 .1402 49 SER 49 -.5771 999.9900 -.7153 999.9900 .6705 -.2073 .6767 .5432 .5989 .1196 50 TRP 50 -.6038 -3.3859 999.9900 999.9900 .9378 -1.0173 .6722 .1959 .3944 -.4367 51 THR 51 -.2319 999.9900 .9776 999.9900 .4476 .3978 .6547 -.2615 .1203 .3173 52 VAL 52 -.9687 999.9900 .7395 999.9900 .7810 .1840 .6545 .1256 .3460 .2664 53 ARG 53 -.0990 -1.8960 999.9900 .1593 .8581 -.1636 .6788 .5113 .5811 .0531 54 MET 54 -.3206 -1.5870 999.9900 .9587 .5203 -.1071 .6810 .5151 .5842 .1279 55 LYS 55 -.2799 -1.9682 999.9900 -.4035 .7460 -.4618 .6758 .1490 .3685 -.2121 56 LYS 56 -.7885 -2.9005 999.9900 -.4035 .7460 -.7500 .6769 .1554 .3727 -.4168 57 ARG 57 -1.5415 -2.8571 999.9900 .6901 .8581 -.4321 .6776 .5216 .5866 -.1373 58 GLY 58 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5898 .4687 .5225 -.1529 59 GLU 59 -1.0162 -1.1891 999.9900 -1.0323 .6899 -.6369 .6771 .5199 .5854 -.2251 60 LYS 60 -.6439 -1.9682 999.9900 -.4035 .7460 -.5346 .6798 .1577 .3752 -.2622 61 VAL 61 -.0951 999.9900 .6672 999.9900 .7810 .4510 .6619 .1207 .3462 .4271 62 PHE 62 -.1316 -2.1527 999.9900 999.9900 .7573 -.5090 .6831 .1053 .3460 -.1477 63 LEU 63 -.3855 -2.0611 999.9900 999.9900 .9565 -.4967 .6731 .1370 .3603 -.1360 64 THR 64 -4.2065 999.9900 1.0667 999.9900 .4476 -.8974 .6569 -.2677 .1175 -.4606 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6651 .1155 .3445 -.1448 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5768 .4632 .5137 -.0290 67 TRP 67 .4280 -3.3859 999.9900 999.9900 .9378 -.6733 .6793 .1926 .3954 -.2296 68 GLU 68 .8733 -2.1111 999.9900 -1.0323 .6899 -.3951 .6726 .5198 .5835 -.0647 69 ASN 69 .1294 -.4258 999.9900 999.9900 .7518 .1518 .6774 .3861 .5075 .3038 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6721 .0931 .3344 -.3954 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6524 .1273 .3461 .2931 72 LYS 72 .3654 -2.9005 999.9900 -.0397 .7460 -.3737 .6733 .1537 .3702 -.1488 73 ASP 73 1.3227 -3.7306 999.9900 999.9900 .8104 -.5325 .6765 .3830 .5053 -.1076 74 ASN 74 .3429 -2.3357 999.9900 999.9900 .7518 -.4137 .6723 .3924 .5090 -.0353 75 ASN 75 -2.3558 .0199 999.9900 999.9900 .7518 -.5280 .6778 .3871 .5082 -.1038 76 LEU 76 -2.2364 -1.6805 999.9900 999.9900 .9565 -.9868 .6757 .1534 .3710 -.4263 77 GLU 77 -1.2742 .8034 999.9900 -1.0323 .6899 -.2033 .6743 .5159 .5819 .0628 78 ASP 78 -1.5212 -.6983 999.9900 999.9900 .8104 -.4697 .6786 .3833 .5063 -.0694 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5813 .4595 .5136 -.1159 80 LYS 80 -.7292 .9554 999.9900 -.0770 .7460 .1636 .6778 .1651 .3787 .2373 81 TYR 81 -.6610 -4.1972 999.9900 999.9900 .5630 -1.4317 .6750 -.1776 .1777 -.7596 82 LEU 82 .0291 .8710 999.9900 999.9900 .9565 .6189 .6766 .1671 .3794 .5401 83 GLN 83 -1.0957 -2.6982 999.9900 1.3059 .5113 -.4942 .6685 .5268 .5858 -.1302 84 PHE 84 -.2255 -4.3038 999.9900 999.9900 .7573 -1.2573 .6781 .1003 .3411 -.5987 85 ILE 85 -.2299 -1.5368 999.9900 999.9900 .6034 -.3878 .6566 .0547 .3055 -.0904 86 TYR 86 .4225 -4.1972 999.9900 999.9900 .5630 -1.0706 .6764 -.1655 .1853 -.5402 87 ASP 87 -1.6275 -2.3194 999.9900 999.9900 .8104 -1.0455 .6721 .3721 .4971 -.4185 88 ARG 88 -2.9267 -.8157 999.9900 .1593 .8581 -.5131 .6793 .5154 .5837 -.1958 89 ASP 89 -2.1057 -1.7735 999.9900 999.9900 .8104 -1.0229 .6739 .3765 .5004 -.4037 90 ARG 90 -1.7561 -2.8571 999.9900 .1593 .8581 -.6873 .6763 .5183 .5842 -.3203 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6627 -.2645 .1218 .0619 92 PHE 92 .0058 -2.3327 999.9900 999.9900 .7573 -.5232 .6797 .1043 .3441 -.1571 93 TYR 93 .3730 -.3906 999.9900 999.9900 .5630 .1818 .6786 -.1752 .1806 .2098 94 VAL 94 -.0951 999.9900 .1416 999.9900 .7810 .2758 .6532 .1285 .3471 .3218 95 ILE 95 -.9405 -1.7297 999.9900 999.9900 .6034 -.6889 .6583 .0444 .3002 -.2728 96 ILE 96 -.4035 -2.2551 999.9900 999.9900 .6034 -.6851 .6547 .0426 .2976 -.2716 97 TYR 97 .0868 .2608 999.9900 999.9900 .5630 .3035 .6760 -.1858 .1733 .2801 98 GLY 98 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .5908 .4797 .5291 .2357 99 HIS 99 -.2950 .2436 999.9900 999.9900 .6686 .2057 .6766 .3193 .4682 .3226 100 ASN 100 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6746 .3806 .5031 -.7405 101 MET 101 -2.6662 -2.0676 999.9900 .9587 .5203 -.8137 .6764 .5228 .5868 -.3426 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6694 .2401 .4241 .3464 Means: -.7210 -1.8009 -.2739 .0095 .7095 -.3949 .6522 .2122 .3963 -.0769 2.00 analyzed_9