1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6768 .5078 .5846 .0231 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6643 .3139 .4599 -.0688 3 ASP 3 -.5526 -.9533 999.9900 999.9900 .8104 -.2318 .6795 .3908 .5111 .0750 4 THR 4 -.3275 999.9900 -.8810 999.9900 .4476 -.2537 .6585 -.2547 .1258 -.0714 5 GLY 5 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .5837 .4762 .5240 .3004 6 GLU 6 -.6897 -.7009 999.9900 -1.0323 .6899 -.4333 .6773 .5225 .5870 -.0889 7 VAL 7 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .6617 .1202 .3458 .0876 8 GLN 8 -.3854 -1.0871 999.9900 1.3059 .5113 .0862 .6807 .5150 .5840 .2567 9 PHE 9 -.9952 -1.6164 999.9900 999.9900 .7573 -.6181 .6771 .0884 .3337 -.2178 10 MET 10 -.3503 -.5067 999.9900 .9587 .5203 .1555 .6740 .5110 .5789 .3012 11 LYS 11 -.7523 -2.9005 999.9900 -.4035 .7460 -.7428 .4808 .1667 .2975 -.4381 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5428 -.3687 .0111 .2495 13 PHE 13 .1032 -4.3038 999.9900 999.9900 .7573 -1.1478 .6789 .1099 .3470 -.5309 14 ILE 14 .3543 .4202 999.9900 999.9900 .6034 .4593 .6582 .0456 .3008 .4163 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6797 .5323 .5937 .2612 16 GLU 16 1.0761 -.4051 999.9900 -1.0323 .6899 .0821 .6711 .5182 .5819 .2530 17 LYS 17 -2.0221 -2.9005 999.9900 -.4035 .7460 -.9967 .6790 .1481 .3693 -.5938 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6748 .5255 .5877 .2588 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6770 .5299 .5912 .2642 20 LYS 20 -3.5196 -2.4344 999.9900 .6506 .7460 -.7814 .6825 .1548 .3747 -.4385 21 SER 21 -.4678 999.9900 -.7153 999.9900 .6705 -.1709 .6750 .5261 .5882 .1377 22 LEU 22 -.3112 -2.5464 999.9900 999.9900 .9565 -.6337 .6755 .1570 .3730 -.2137 23 GLU 23 -.7635 -.8834 999.9900 .3501 .6899 -.1517 .6822 .5220 .5887 .0995 24 ILE 24 -.1408 -.1188 999.9900 999.9900 .6034 .1146 .4693 .0416 .2198 .1709 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5568 -.3762 .0126 .2512 26 LEU 26 -.5228 -1.8410 999.9900 999.9900 .9565 -.4691 .6794 .1586 .3756 -.1139 27 GLY 27 .4759 999.9900 999.9900 999.9900 .7883 .6321 .5624 .4614 .5063 .5720 28 PHE 28 -1.7494 -2.3327 999.9900 999.9900 .7573 -1.1082 .6826 .1068 .3468 -.5071 29 ASN 29 1.1272 -.0726 999.9900 999.9900 .7518 .6021 .6814 .3853 .5087 .5746 30 GLU 30 -.2702 -2.8418 999.9900 -1.0323 .6899 -.8636 .6802 .5269 .5908 -.3746 31 TYR 31 .6431 -4.1972 999.9900 999.9900 .5630 -.9971 .6805 -.1711 .1837 -.4964 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4849 .1161 .2698 -.5498 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5281 -.3591 .0106 .2483 34 ALA 34 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .4631 .3293 .3851 .1936 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5388 -.3578 .0157 .2626 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .5004 .0941 .2634 -.2131 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5430 -.3685 .0113 .2030 38 ILE 38 -1.4270 -1.4972 999.9900 999.9900 .6034 -.7736 .6525 .0475 .2996 -.3242 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6621 -.2425 .1344 -.1145 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6628 .1202 .3463 .0854 41 ASP 41 -.5526 .7669 999.9900 999.9900 .8104 .3416 .6689 .3774 .4988 .4142 42 LEU 42 .1006 .3561 999.9900 999.9900 .9565 .4711 .6843 .1499 .3725 .4495 43 LEU 43 .0762 -1.4996 999.9900 999.9900 .9565 -.1556 .6767 .1561 .3730 .0732 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .8104 -1.1920 .6776 .3844 .5066 -.5028 45 TYR 45 -2.5417 -2.9749 999.9900 999.9900 .5630 -1.6512 .6767 -.1701 .1827 -.8894 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6793 .5287 .5914 -.4155 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5864 .4803 .5275 -.1508 48 ARG 48 -.5733 .4387 999.9900 .1593 .8581 .2084 .6767 .5148 .5823 .3191 49 SER 49 -.0526 999.9900 .6576 999.9900 .6705 .4252 .6723 .5398 .5950 .4975 50 TRP 50 -.2197 -.6490 999.9900 999.9900 .9378 .0230 .6758 .1857 .3899 .1861 51 THR 51 .4171 999.9900 -.8810 999.9900 .4476 -.0055 .6590 -.2547 .1260 .0776 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6546 .1182 .3417 .0834 53 ARG 53 -.4063 -2.8571 999.9900 .1593 .8581 -.4173 .6783 .5191 .5854 -.1271 54 MET 54 -.2520 .1642 999.9900 .9587 .5203 .3478 .6822 .5145 .5844 .4313 55 LYS 55 -.3223 -1.4228 999.9900 -.4035 .7460 -.3612 .6719 .1545 .3701 -.1400 56 LYS 56 -.3543 -.9566 999.9900 -.4035 .7460 -.2744 .6697 .1542 .3690 -.0783 57 ARG 57 -1.0405 -1.4154 999.9900 .6901 .8581 -.0435 .6793 .5193 .5860 .1401 58 GLY 58 -.0489 999.9900 999.9900 999.9900 .7883 .3697 .5809 .4687 .5186 .4472 59 GLU 59 -.5648 -1.4588 999.9900 -1.0323 .6899 -.5915 .6718 .5190 .5827 -.1959 60 LYS 60 -.4999 -2.9005 999.9900 -.4035 .7460 -.6923 .6770 .1702 .3814 -.3735 61 VAL 61 -.0463 999.9900 .2799 999.9900 .7810 .3382 .6587 .1163 .3423 .3579 62 PHE 62 -.3916 -3.3183 999.9900 999.9900 .7573 -.9842 .6739 .0946 .3359 -.4368 63 LEU 63 -.4065 -2.7185 999.9900 999.9900 .9565 -.7228 .6735 .1592 .3735 -.2672 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6627 -.2670 .1203 -.5766 65 VAL 65 -1.2071 999.9900 .4980 999.9900 .7810 .0240 .6620 .1291 .3512 .1726 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5803 .4777 .5233 -.1530 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6808 .1855 .3919 -.4548 68 GLU 68 .7157 -1.9198 999.9900 -1.0323 .6899 -.3866 .6776 .5181 .5846 -.0585 69 ASN 69 1.1117 .7181 999.9900 999.9900 .7518 .8605 .6721 .3806 .5020 .7269 70 PHE 70 .6259 -.4798 999.9900 999.9900 .7573 .3011 .6778 .1183 .3514 .3399 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6559 .1105 .3378 .2904 72 LYS 72 .6780 -2.4344 999.9900 -.4035 .7460 -.3635 .6761 .1494 .3689 -.1417 73 ASP 73 .9921 -3.1847 999.9900 999.9900 .8104 -.4607 .6793 .3847 .5075 -.0636 74 ASN 74 .0718 .5395 999.9900 999.9900 .7518 .4544 .6738 .3639 .4931 .4802 75 ASN 75 -.6067 -.3904 999.9900 999.9900 .7518 -.0818 .6727 .3718 .4972 .1598 76 LEU 76 -.0792 -.9358 999.9900 999.9900 .9565 -.0195 .6846 .1536 .3748 .1559 77 GLU 77 -1.2742 -2.8418 999.9900 .3501 .6899 -.7690 .6774 .5232 .5874 -.3126 78 ASP 78 -.9954 -3.7306 999.9900 999.9900 .8104 -1.3052 .6761 .3827 .5050 -.5714 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5768 .4782 .5220 -.1124 80 LYS 80 -.7292 -1.5020 999.9900 -.4035 .7460 -.4584 .6819 .1606 .3778 -.2071 81 TYR 81 .6005 .8376 999.9900 999.9900 .5630 .6670 .6778 -.1591 .1896 .5039 82 LEU 82 -.7369 -3.3760 999.9900 999.9900 .9565 -1.0521 .6812 .1445 .3681 -.4661 83 GLN 83 -.2750 -.6527 999.9900 2.7911 .5113 .5937 .6780 .5205 .5861 .5955 84 PHE 84 -.2457 -1.5308 999.9900 999.9900 .7573 -.3397 .6767 .0903 .3346 -.0505 85 ILE 85 .1597 -3.0500 999.9900 999.9900 .6034 -.7623 .6522 .0397 .2949 -.3190 86 TYR 86 .0406 -1.2283 999.9900 999.9900 .5630 -.2083 .6681 -.1793 .1738 -.0272 87 ASP 87 -1.1212 -2.1980 999.9900 999.9900 .8104 -.8363 .6784 .3764 .5023 -.2908 88 ARG 88 -1.9585 -1.8960 999.9900 .1593 .8581 -.5355 .6743 .5162 .5821 -.2125 89 ASP 89 -2.8635 .1030 999.9900 999.9900 .8104 -.6500 .6733 .3777 .5008 -.1798 90 ARG 90 -1.5415 -2.8571 999.9900 .6901 .8581 -.4321 .6830 .5237 .5901 -.1363 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6635 -.2494 .1310 -.0069 92 PHE 92 -.0168 .5589 999.9900 999.9900 .7573 .4332 .6732 .0924 .3344 .4130 93 TYR 93 -.0287 .3309 999.9900 999.9900 .5630 .2884 .6854 -.1752 .1834 .2751 94 VAL 94 .3372 999.9900 -.2457 999.9900 .7810 .2908 .6536 .1244 .3449 .3301 95 ILE 95 -.1241 -1.4255 999.9900 999.9900 .6034 -.3154 .6603 .0379 .2973 -.0496 96 ILE 96 -.1408 -.6139 999.9900 999.9900 .6034 -.0505 .6605 .0376 .2972 .1094 97 TYR 97 .0868 .0090 999.9900 999.9900 .5630 .2196 .6765 -.1752 .1797 .2320 98 GLY 98 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5936 .4871 .5344 .0226 99 HIS 99 -2.1861 -.3484 999.9900 999.9900 .6686 -.6220 .6727 .3230 .4687 -.1740 100 ASN 100 -3.4329 -2.3357 999.9900 999.9900 .7518 -1.6723 .6728 .3843 .5045 -.7919 101 MET 101 -.4670 -1.1064 999.9900 .9587 .5203 -.0236 .6754 .5199 .5847 .1835 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6722 .2390 .4246 .3469 Means: -.5852 -1.4682 -.5061 .0728 .7095 -.2895 .6518 .2118 .3960 -.0120 2.00 analyzed_8