1 MET 1 999.9900 -1.7864 999.9900 .9587 -.3043 -.3773 .0496 .5138 .3028 -.1137 2 ALA 2 -.7438 999.9900 999.9900 999.9900 .8152 .0357 -.8402 .4043 -.1142 -.0911 3 ASP 3 -.2609 -1.4542 999.9900 999.9900 .7866 -.3095 -1.3273 .2430 -.4113 -.4025 4 THR 4 -.6608 999.9900 .8779 999.9900 .7246 .3139 -.0505 .1745 .0808 .2131 5 GLY 5 -1.1293 999.9900 999.9900 999.9900 .7039 -.2127 -.3178 .5076 .1407 -.0589 6 GLU 6 -3.2255 .6046 999.9900 -1.0323 -1.5390 -1.2981 -.0911 .2362 .0999 -.8412 7 VAL 7 .0815 999.9900 -.2457 999.9900 -1.3636 -.5093 -.8452 .0906 -.2993 -.4565 8 GLN 8 -.4791 -.4838 999.9900 1.3059 -1.6155 -.3181 -.7016 .5739 .0424 -.2334 9 PHE 9 .2406 -.1460 999.9900 999.9900 -1.2178 -.3744 -.5411 .3451 -.0242 -.2638 10 MET 10 -.2520 -.2135 999.9900 1.7963 .6113 .4855 .2004 .6307 .4514 .4622 11 LYS 11 -.5771 .0381 999.9900 -.4035 -2.6618 -.8016 .1167 .4994 .3400 -.4845 12 PRO 12 -.2605 999.9900 999.9900 999.9900 .9143 .3269 -.9591 .4748 -.1226 .0424 13 PHE 13 .0900 .1164 999.9900 999.9900 .4513 .2192 .3227 .5162 .4356 .2993 14 ILE 14 -.0022 -3.0500 999.9900 999.9900 -1.4322 -1.4948 -.0082 .2268 .1289 -.8532 15 SER 15 .8349 999.9900 .3727 999.9900 .8558 .6878 .3494 .5320 .4559 .5889 16 GLU 16 1.0761 .7809 999.9900 -1.0323 .1264 .2378 .6200 .6139 .6164 .3642 17 LYS 17 -.8267 .8340 999.9900 .4411 -1.0384 -.0297 .4876 .6162 .5626 .1364 18 SER 18 -.5255 999.9900 -.7153 999.9900 -2.5979 -1.2796 .3874 .3645 .3740 -.6174 19 SER 19 .8760 999.9900 -.7153 999.9900 -.0703 .0301 -.1200 .3257 .1400 .0592 20 LYS 20 -3.5196 1.1188 999.9900 .1140 -.4892 -.5324 .6153 .2179 .3835 -.2612 21 SER 21 .1980 999.9900 .3727 999.9900 .1597 .2435 -.6736 .3953 -.0501 .0904 22 LEU 22 .1006 -1.4036 999.9900 999.9900 -.3982 -.5671 -.3816 .1781 -.0551 -.3809 23 GLU 23 -.5578 -2.8418 999.9900 -1.0323 .7566 -.9188 -1.1992 .1700 -.4005 -.7841 24 ILE 24 -.1408 .6227 999.9900 999.9900 .7362 .4060 .1365 .4398 .3134 .3589 25 PRO 25 -.3960 999.9900 999.9900 999.9900 .1827 -.1067 .3917 .4000 .3966 .1446 26 LEU 26 1.1349 -1.4036 999.9900 999.9900 .7753 .1688 .2017 .2643 .2382 .1945 27 GLY 27 .9829 999.9900 999.9900 999.9900 .6270 .8049 .5240 .6877 .6149 .7054 28 PHE 28 -.4427 .5902 999.9900 999.9900 .2815 .1430 .4799 .5290 .5085 .2876 29 ASN 29 1.1272 .2165 999.9900 999.9900 .3587 .5675 .6343 .6455 .6408 .5964 30 GLU 30 -.2702 -.2011 999.9900 -1.0323 .4526 -.2628 .5324 .3053 .3999 -.0356 31 TYR 31 .3981 -.1729 999.9900 999.9900 -.1498 .0251 .6097 .6118 .6109 .2594 32 PHE 32 -2.5364 -.9508 999.9900 999.9900 -2.2412 -1.9094 -.0540 .2348 .1145 -1.1095 33 PRO 33 -.2605 999.9900 999.9900 999.9900 -.4005 -.3305 -1.2801 .3068 -.3544 -.4086 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.4870 -.9403 .4553 .4465 .4502 -.2447 35 PRO 35 .6201 999.9900 999.9900 999.9900 .6931 .6566 .5956 .4160 .4908 .5812 36 PHE 36 -1.3242 -.7766 999.9900 999.9900 -1.2178 -1.1062 -.0576 .2810 .1399 -.6190 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .4021 -.3714 -.4768 .4839 .0836 -.1839 38 ILE 38 -1.9699 -2.2551 999.9900 999.9900 .4912 -1.2446 -.0383 .5507 .3053 -.6443 39 THR 39 .0643 999.9900 -.2947 999.9900 .9813 .2503 .4219 .5044 .4700 .3354 40 VAL 40 -.3909 999.9900 .3968 999.9900 .3189 .1082 .0365 -.6065 -.3386 -.0491 41 ASP 41 -1.5723 -1.0518 999.9900 999.9900 .0868 -.8458 .4514 .5229 .4931 -.3126 42 LEU 42 .1006 .8730 999.9900 999.9900 .9730 .6488 .1673 .5298 .3788 .5287 43 LEU 43 .0762 -1.8410 999.9900 999.9900 .6486 -.3721 -.5789 .5871 .1013 -.2216 44 ASP 44 -.8144 -2.8653 999.9900 999.9900 .3772 -1.1008 .4923 .3729 .4227 -.4874 45 TYR 45 .3981 .7834 999.9900 999.9900 .5127 .5647 .3576 .2719 .3076 .4647 46 SER 46 -.3100 999.9900 .6576 999.9900 .7576 .3684 .5836 .6599 .6281 .4698 47 GLY 47 1.0314 999.9900 999.9900 999.9900 .4101 .7207 -.0441 .6500 .3415 .5118 48 ARG 48 -.5733 .8761 999.9900 .9503 .5247 .5456 -2.1456 .5988 -.5447 .1688 49 SER 49 -.2734 999.9900 .3727 999.9900 -.4586 -.1198 .0052 .6637 .3893 .0619 50 TRP 50 .1337 -.0877 999.9900 999.9900 -.1614 -.0385 -.7008 .5150 .0084 -.0602 51 THR 51 .0164 999.9900 .0483 999.9900 -1.6680 -.5344 -.0502 .3525 .1847 -.2602 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 -.3121 -.5254 -1.1398 .6130 -.1174 -.4206 53 ARG 53 -.5160 1.0644 999.9900 .7862 -1.7309 .0780 .2695 .1781 .2162 .1196 54 MET 54 -.2651 -1.1990 999.9900 .9587 -.8385 -.3360 -.0200 .5642 .3208 -.1333 55 LYS 55 -.1919 -2.1617 999.9900 .1140 -2.6618 -.9575 .4750 .3583 .4070 -.5648 56 LYS 56 -1.0587 -.2831 999.9900 .1731 .2547 -.1482 -2.1868 -.0717 -.9530 -.4285 57 ARG 57 -1.4318 1.1699 999.9900 .1593 -.4506 -.0788 -1.1123 .2061 -.3432 -.1857 58 GLY 58 -1.0699 999.9900 999.9900 999.9900 -.6865 -.8782 -.1448 .6423 .2925 -.3147 59 GLU 59 -.4382 -.2670 999.9900 -1.0323 -.6780 -.6039 .1388 .5750 .3933 -.2836 60 LYS 60 -.1715 .1761 999.9900 .5368 -.4892 .1178 -.8170 .6332 .0289 .0579 61 VAL 61 .0482 999.9900 -.2457 999.9900 -.8010 -.3328 -.6318 .3496 -.0593 -.2562 62 PHE 62 .1032 .9147 999.9900 999.9900 -2.2412 -.4078 -.6754 .4346 -.0279 -.2928 63 LEU 63 -.7094 .9108 999.9900 999.9900 -.9806 -.2597 -.9155 .1904 -.2704 -.3009 64 THR 64 -4.2065 999.9900 -.2947 999.9900 -1.0006 -1.8339 .4819 .5105 .4986 -.9019 65 VAL 65 -1.2071 999.9900 -.5532 999.9900 -2.9040 -1.5548 -.6921 .4023 -.0537 -.9908 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 -1.5458 -1.4654 -.8122 .1687 -.2672 -.8936 67 TRP 67 .9492 .0052 999.9900 999.9900 -.9146 .0133 .1883 .5574 .4036 .1571 68 GLU 68 .4426 -.3402 999.9900 -1.0323 .3223 -.1519 .0818 -.3981 -.1981 -.1540 69 ASN 69 1.1117 1.0524 999.9900 999.9900 .9106 1.0249 .1118 .6004 .3968 .7574 70 PHE 70 -.0803 .7639 999.9900 999.9900 -1.2178 -.1781 .5187 .3834 .4398 .0736 71 VAL 71 1.0462 999.9900 -.5532 999.9900 .6025 .3652 .3387 .5619 .4689 .3992 72 LYS 72 .8536 -.2562 999.9900 .4411 -1.2036 .0552 .3242 .3996 .3682 .1428 73 ASP 73 .9921 -.7325 999.9900 999.9900 .8104 .3567 .1511 .2941 .2345 .3030 74 ASN 74 -.6931 -.0024 999.9900 999.9900 -.5831 -.4262 .5803 .4921 .5289 -.0412 75 ASN 75 -1.8173 .1037 999.9900 999.9900 .3127 -.4670 -.2880 .1270 -.0459 -.3124 76 LEU 76 -.4552 -2.9612 999.9900 999.9900 -1.3910 -1.6025 -1.0966 -.1536 -.5465 -1.2115 77 GLU 77 -1.9801 -1.4588 999.9900 -1.0323 -.3984 -1.2174 .0177 .3498 .2114 -.7504 78 ASP 78 -.9954 -1.1348 999.9900 999.9900 -1.3622 -1.1641 -.4041 .3666 .0455 -.7060 79 GLY 79 -2.4582 999.9900 999.9900 999.9900 -1.7465 -2.1023 .2681 .4911 .3920 -.8614 80 LYS 80 -.3811 .2165 999.9900 .2868 -.6710 -.0524 .3347 -.0283 .1229 .0063 81 TYR 81 .2568 .8258 999.9900 999.9900 -.1498 .3109 -.8967 .4640 -.1030 .1000 82 LEU 82 -.7369 -2.4128 999.9900 999.9900 .4774 -.8908 -.6496 .3183 -.0850 -.6007 83 GLN 83 -.3854 -.5630 999.9900 1.3059 .6605 .2545 -.2847 .5194 .1844 .2088 84 PHE 84 .0058 .1357 999.9900 999.9900 -1.2178 -.3588 -.3705 .5165 .1469 -.1861 85 ILE 85 -.0022 -2.2551 999.9900 999.9900 .3195 -.6459 -1.1240 .2619 -.3156 -.5600 86 TYR 86 .2641 .6919 999.9900 999.9900 -.2672 .2296 -.7043 .5325 .0172 .1034 87 ASP 87 -.8696 -.2599 999.9900 999.9900 .5733 -.1854 .5349 -.0854 .1731 -.0213 88 ARG 88 -2.5097 -.3921 999.9900 .1593 -.2445 -.5655 .4100 .1731 .2718 -.3206 89 ASP 89 -3.3417 -.7325 999.9900 999.9900 .6026 -1.1572 -1.3128 -.1423 -.6300 -.9854 90 ARG 90 -1.8488 .8761 999.9900 .1593 .2455 -.0817 .1306 .1371 .1344 -.0201 91 THR 91 .1937 999.9900 .4804 999.9900 .5490 .4077 .2933 .2801 .2856 .3593 92 PHE 92 .1032 .1608 999.9900 999.9900 .3981 .2207 .0857 .5947 .3826 .2685 93 TYR 93 -.0287 .8258 999.9900 999.9900 -.1498 .2158 .2105 .5838 .4282 .2883 94 VAL 94 .3116 999.9900 -1.0788 999.9900 .1768 -.1968 .1161 .5959 .3960 .0243 95 ILE 95 .3408 -.0177 999.9900 999.9900 .4509 .2580 .1432 .6300 .4272 .3094 96 ILE 96 .0718 -1.0451 999.9900 999.9900 .3195 -.2179 -.3337 .5308 .1706 -.0913 97 TYR 97 .0500 -.9230 999.9900 999.9900 -1.0119 -.6283 -.8018 -.8444 -.8267 -.7062 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -1.5458 -2.5161 .1289 -.9134 -.4502 -1.4542 99 HIS 99 -3.0884 -.6348 999.9900 999.9900 -1.6368 -1.7866 .1742 -.4408 -.1846 -1.1253 100 ASN 100 -3.4329 -.3237 999.9900 999.9900 .6605 -1.0320 -.5318 -.1330 -.2992 -.7522 101 MET 101 -.3503 .5321 999.9900 .9587 .6113 .4379 .2256 .2412 .2347 .3698 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2638 .5482 .4263 .3139 Means: -.5089 -.3690 -.1088 .2024 -.2850 -.3028 -.1420 .3449 .1411 -.1471 2.00 refined_3