1 GLU 1 999.9900 -2.8418 999.9900 -1.0323 .6899 -1.0614 .6729 .5052 .5815 -.4012 2 ALA 2 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .6669 .3234 .4665 .2431 3 GLU 3 -.5648 -1.7714 999.9900 1.7325 .6899 .0216 .6693 .5211 .5829 .2128 4 VAL 4 -.3909 999.9900 -.0276 999.9900 .7810 .1208 .6589 .1217 .3455 .2286 5 HIS 5 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6799 .3213 .4707 -.7915 6 ASN 6 -.7163 1.1389 999.9900 999.9900 .7518 .3915 .6782 .3785 .5034 .4462 7 GLN 7 -1.5899 -1.6169 999.9900 1.3059 .5113 -.3474 .6743 .5205 .5846 -.0325 8 LEU 8 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6759 .1545 .3718 -.1672 9 GLU 9 -.4497 -2.8418 999.9900 -1.0323 .6899 -.9085 .6735 .5211 .5846 -.4066 10 ILE 10 -.1366 .4202 999.9900 999.9900 .6034 .2957 .6578 .0325 .2930 .3155 11 LYS 11 -.1765 -.4196 999.9900 -.4035 .7460 -.1314 .6706 .1490 .3663 .0232 12 PHE 12 .0490 .5863 999.9900 999.9900 .7573 .4642 .6794 .0991 .3409 .4342 13 ARG 13 -.4343 -.2657 999.9900 .1593 .8581 .0954 .6715 .5117 .5783 .2371 14 LEU 14 -1.2495 -3.3760 999.9900 999.9900 .9565 -1.2230 .6721 .1583 .3724 -.5677 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6533 -.2455 .1290 .0909 16 ASP 16 .0771 -.5463 999.9900 999.9900 .8104 .1137 .6733 .3800 .5022 .2789 17 GLY 17 .8709 999.9900 999.9900 999.9900 .7883 .8296 .5893 .4791 .5281 .6819 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6706 .5268 .5867 .2887 19 ASP 19 -1.0681 -1.9171 999.9900 999.9900 .8104 -.7249 .6777 .3756 .5015 -.2243 20 ILE 20 -.2252 .9074 999.9900 999.9900 .6034 .4285 .6655 .0412 .3013 .3985 21 GLY 21 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .3479 .4703 .4159 .0855 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5489 -.3758 .0095 .2493 23 LYS 23 -.2799 -2.1617 999.9900 -.4035 .7460 -.5005 .6708 .1523 .3684 -.2399 24 ALA 24 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6671 .3181 .4635 .2380 25 PHE 25 -.0017 -.4548 999.9900 999.9900 .7573 .1003 .5059 .1103 .2751 .1834 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5442 -.3673 .0125 .2616 27 ASP 27 .2994 1.1318 999.9900 999.9900 .8104 .7472 .6774 .3851 .5069 .6608 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6648 .3274 .4680 .2158 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6521 -.2476 .1273 -.0827 30 THR 30 -.6341 999.9900 .0483 999.9900 .4476 -.0461 .6506 -.2582 .1205 .0508 31 VAL 31 -1.6906 999.9900 .8055 999.9900 .7810 -.0347 .6552 .1271 .3471 .1356 32 SER 32 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6755 .5306 .5910 .4138 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6649 .3155 .4611 .5225 34 LEU 34 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6845 .1611 .3792 -.1511 35 LYS 35 .9480 -.7918 999.9900 .3240 .7460 .3101 .6812 .1495 .3710 .3401 36 GLU 36 .6833 -1.0407 999.9900 .3501 .6899 .1706 .6775 .5188 .5849 .3131 37 THR 37 -.0953 999.9900 -.8810 999.9900 .4476 -.1762 .6594 -.2587 .1238 -.0256 38 VAL 38 .7683 999.9900 -1.0788 999.9900 .7810 .1569 .6604 .1281 .3499 .2518 39 ILE 39 .4667 .5691 999.9900 999.9900 .6034 .5464 .6521 .0483 .2999 .4679 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6737 .5297 .5897 .4069 41 GLU 41 .6833 -2.3808 999.9900 -1.0323 .6899 -.5100 .6748 .5297 .5901 -.1393 42 TRP 42 .1017 -3.3859 999.9900 999.9900 .9378 -.7821 .4773 .1909 .3102 -.3356 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5374 -.3718 .0071 -.1995 44 ARG 44 .2784 -.7463 999.9900 .1593 .8581 .1418 .6757 .5210 .5855 .2722 45 GLU 45 -.1289 -1.7714 999.9900 -1.0323 .6899 -.5607 .6841 .5278 .5930 -.1718 46 LYS 46 -3.5196 -1.9682 999.9900 .3240 .7460 -.8187 .6770 .1504 .3698 -.4666 47 GLU 47 -2.3953 -2.8418 999.9900 -1.0323 .6899 -1.3949 .6798 .5294 .5921 -.7284 48 ASN 48 .4497 -1.4522 999.9900 999.9900 .7518 -.0836 .6751 .3853 .5061 .1619 49 GLY 49 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .3362 .4621 .4061 -.0676 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5521 -.3647 .0173 -.4012 51 LYS 51 -3.5196 -.6840 999.9900 -.0770 .7460 -.7223 .6789 .1602 .3763 -.3961 52 THR 52 .2328 999.9900 .4804 999.9900 .4476 .3869 .6611 -.2382 .1365 .3167 53 VAL 53 .5660 999.9900 -.5532 999.9900 .7810 .2646 .6513 .1247 .3441 .3140 54 LYS 54 .1686 -1.2879 999.9900 .3546 .7460 .0672 .6793 .1551 .3735 .1672 55 GLU 55 -2.0601 -.6022 999.9900 -1.0323 .6899 -.7512 .6738 .5259 .5875 -.3008 56 VAL 56 -.0346 999.9900 -1.0788 999.9900 .7810 -.1108 .6597 .1280 .3495 .0911 57 LYS 57 -.2075 .9554 999.9900 -.0770 .7460 .2680 .6751 .1712 .3811 .3123 58 LEU 58 -.0977 -2.5464 999.9900 999.9900 .9565 -.5625 .6769 .1623 .3767 -.1697 59 ILE 59 -.2113 .6122 999.9900 999.9900 .6034 .3348 .6482 .0381 .2923 .3381 60 SER 60 -1.1635 999.9900 .8786 999.9900 .6705 .1285 .6744 .5378 .5947 .3196 61 ALA 61 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6628 .3082 .4559 -.0164 62 GLY 62 .5273 999.9900 999.9900 999.9900 .7883 .6578 .5862 .4711 .5222 .5932 63 LYS 63 -.1919 -1.0793 999.9900 -.4035 .7460 -.2664 .6736 .1561 .3717 -.0718 64 VAL 64 -.4485 999.9900 -1.0788 999.9900 .7810 -.2487 .6622 .1244 .3485 .0081 65 LEU 65 -.4371 .0414 999.9900 999.9900 .9565 .1869 .6801 .1546 .3736 .2791 66 GLU 66 -.7937 -1.3804 999.9900 .3501 .6899 -.2835 .6808 .5258 .5903 .0121 67 ASN 67 1.1678 -.5409 999.9900 999.9900 .7518 .4596 .6762 .3797 .5032 .4869 68 SER 68 .6370 999.9900 -.0289 999.9900 .6705 .4262 .6742 .5348 .5929 .4975 69 LYS 69 -.8010 -.1697 999.9900 -.4035 .7460 -.2064 .6754 .1607 .3751 -.0280 70 THR 70 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6541 -.2543 .1242 -.1389 71 VAL 71 .5660 999.9900 -.2457 999.9900 .7810 .3671 .6589 .1332 .3522 .3787 72 LYS 72 .6780 .8596 999.9900 .2495 .7460 .5565 .6719 .1522 .3688 .5153 73 ASP 73 1.1285 -2.1980 999.9900 999.9900 .8104 -.0864 .6774 .3871 .5080 .1611 74 TYR 74 -1.0449 -4.1972 999.9900 999.9900 .5630 -1.5597 .6717 -.1758 .1773 -.8367 75 ARG 75 -.9903 -1.7413 999.9900 .7862 .8581 -.0602 .6731 .5159 .5814 .1268 76 SER 76 .1093 999.9900 -.7153 999.9900 .6705 .0215 .4851 .5368 .5152 .2173 77 PRO 77 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5373 -.3773 .0038 .0783 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6579 .1250 .3470 -.7711 79 SER 79 -1.3485 999.9900 -.7153 999.9900 .6705 -.4644 .6818 .5350 .5961 -.0353 80 ASN 80 -2.3558 -1.5725 999.9900 999.9900 .7518 -1.0588 .6669 .3691 .4931 -.4281 81 LEU 81 -3.7702 -2.4128 999.9900 999.9900 .9565 -1.7422 .6784 .1541 .3726 -.8788 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6660 .3145 .4610 -.4346 83 GLY 83 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5863 .4744 .5241 -.2057 84 ALA 84 -.1637 999.9900 999.9900 999.9900 .7458 .2911 .6694 .3208 .4660 .3931 85 VAL 85 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6574 .1163 .3417 -.0379 86 THR 86 .4171 999.9900 -.8810 999.9900 .4476 -.0055 .6589 -.2678 .1183 .0750 87 THR 87 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6562 -.2487 .1283 .0335 88 MET 88 -.2651 -.6258 999.9900 .9587 .5203 .1470 .6805 .5172 .5852 .2976 89 HIS 89 -.4783 1.3256 999.9900 999.9900 .6686 .5053 .6737 .3183 .4664 .5016 90 VAL 90 -.0463 999.9900 .7395 999.9900 .7810 .4914 .6621 .1236 .3480 .4520 91 ILE 91 .2866 -3.0500 999.9900 999.9900 .6034 -.7200 .6627 .0295 .2933 -.2936 92 ILE 92 -.0022 -3.0500 999.9900 999.9900 .6034 -.8163 .6606 .0461 .3021 -.3484 93 GLN 93 -1.2769 -1.0287 999.9900 1.3059 .5113 -.1221 .6782 .5226 .5874 .1187 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4828 .3135 .3841 .1453 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5422 -.3633 .0140 .0830 96 VAL 96 -2.6451 999.9900 .3968 999.9900 .7810 -.4891 .6535 .1109 .3370 -.1406 97 THR 97 -3.6133 999.9900 -.8810 999.9900 .4476 -1.3489 .6609 -.2485 .1304 -.7269 98 GLU 98 -2.5676 -2.3808 999.9900 -1.0323 .6899 -1.3227 .6753 .5222 .5860 -.6822 99 LYS 99 -2.7709 -2.1617 999.9900 -.4035 .7460 -.9987 .6764 .1603 .3754 -.5938 100 GLU 100 -2.5676 -1.1891 999.9900 -1.0323 .6899 -1.0248 .6760 .5279 .5896 -.4825 101 LYS 101 999.9900 -1.9682 999.9900 .2495 999.9900 -.4897 .6709 -.0277 .2717 -.1652 Means: -.6268 -1.2898 -.4683 -.0315 .6979 -.2376 .6473 .2062 .3906 .0174 2.00 analyzed_4