1 MET 1 999.9900 -2.5481 999.9900 1.7963 -.8385 -.5301 .2828 .4898 .3957 -.1635 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 -.7624 -1.3808 .2167 .6593 .4749 -.4714 3 ASP 3 -1.1787 -1.3712 999.9900 999.9900 -1.8780 -1.4760 -.6651 .0412 -.2531 -1.0104 4 THR 4 -2.0799 999.9900 -.8810 999.9900 -.4170 -1.1260 .2763 .0350 .1356 -.6133 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 -.6865 -2.0864 .1663 -.2557 -.0682 -1.0656 6 GLU 6 -2.8104 .6046 999.9900 -1.0323 -2.5035 -1.4354 .1319 .0344 .0750 -.9292 7 VAL 7 -.0463 999.9900 -.5532 999.9900 .6959 .0321 -.6165 .1733 -.1558 -.0694 8 GLN 8 -.3431 -.5355 999.9900 1.3059 .5636 .2477 -.9692 .3813 -.1814 .0671 9 PHE 9 .2406 .8308 999.9900 999.9900 .2172 .4295 -.5906 .5410 .0695 .2478 10 MET 10 -.5247 1.0862 999.9900 1.7963 .6113 .7423 -1.3958 .4566 -.3152 .3383 11 LYS 11 -.3223 .7114 999.9900 -.0770 -1.0384 -.1607 -.0504 .0879 .0302 -.1094 12 PRO 12 -.0828 999.9900 999.9900 999.9900 .4021 .1596 -1.3286 .0103 -.5476 -.2498 13 PHE 13 .0966 -.1460 999.9900 999.9900 .2172 .0559 -.1220 -.1595 -.1439 -.0227 14 ILE 14 .2866 -.0177 999.9900 999.9900 -1.0155 -.2489 .3999 .2925 .3372 -.0109 15 SER 15 1.0911 999.9900 1.2119 999.9900 .3425 .8818 .3821 .4662 .4311 .6987 16 GLU 16 .4426 1.0525 999.9900 -1.0323 -1.0906 -.1570 .3306 .3967 .3692 .0166 17 LYS 17 -1.4779 -.2695 999.9900 .4996 .1791 -.1138 .2089 .5419 .4032 .0259 18 SER 18 .1386 999.9900 -.7153 999.9900 .3088 -.0893 -.2213 .4413 .1652 -.0096 19 SER 19 .9506 999.9900 .3727 999.9900 .1597 .4943 .5698 .5671 .5682 .5240 20 LYS 20 -2.4227 .9554 999.9900 1.3578 .6340 .3765 -.4941 .1573 -.1141 .2208 21 SER 21 -.2454 999.9900 -.7153 999.9900 -.8619 -.6075 -1.2740 .4600 -.2625 -.5273 22 LEU 22 -.4065 -2.3037 999.9900 999.9900 .6258 -.6948 -.4865 .0796 -.1563 -.4983 23 GLU 23 -.4497 -.6022 999.9900 .3501 .7127 .0027 -.2359 .5392 .2163 .0524 24 ILE 24 .0718 -.3653 999.9900 999.9900 .1689 -.0415 .5108 .5376 .5264 .1848 25 PRO 25 .4197 999.9900 999.9900 999.9900 -.1935 .1131 .2087 .6246 .4513 .2649 26 LEU 26 .2872 .8730 999.9900 999.9900 -.0758 .3615 .6265 .4776 .5397 .4377 27 GLY 27 1.2494 999.9900 999.9900 999.9900 .2296 .7395 .2823 .6360 .4788 .5993 28 PHE 28 .8041 -1.8165 999.9900 999.9900 .1482 -.2881 .4917 -.1906 .0937 -.1126 29 ASN 29 1.3908 .2165 999.9900 999.9900 .4840 .6971 .4571 .6605 .5757 .6418 30 GLU 30 .0468 .8332 999.9900 -1.0323 .6424 .1225 -.1038 .6066 .3106 .1655 31 TYR 31 .3338 .5582 999.9900 999.9900 .2769 .3897 .2913 .5051 .4160 .3931 32 PHE 32 -.0970 .8160 999.9900 999.9900 .2172 .3121 .4684 .4362 .4496 .3682 33 PRO 33 -2.7614 999.9900 999.9900 999.9900 .1827 -1.2893 .4209 .6632 .5622 -.3737 34 ALA 34 .0470 999.9900 999.9900 999.9900 -.1129 -.0330 -.6272 -.2010 -.3786 -.2235 35 PRO 35 -.0828 999.9900 999.9900 999.9900 -1.3105 -.6967 -.1122 .4055 .1898 -.2750 36 PHE 36 -.0970 -.9090 999.9900 999.9900 -.4285 -.4782 -.4756 .5854 .1433 -.2649 37 PRO 37 .4011 999.9900 999.9900 999.9900 .2426 .3219 -.1767 .6009 .2769 .2670 38 ILE 38 -.7823 -.0177 999.9900 999.9900 -.1449 -.3150 .3007 .5758 .4612 -.0137 39 THR 39 .0643 999.9900 .0483 999.9900 .6112 .2412 .0338 .4400 .2707 .2395 40 VAL 40 -.3161 999.9900 .4980 999.9900 .8960 .3593 .1646 -.2798 -.0946 .1925 41 ASP 41 -.9091 -.9533 999.9900 999.9900 .4469 -.4718 .2651 .4862 .3941 -.1328 42 LEU 42 -.1897 -1.5832 999.9900 999.9900 .4774 -.4318 -.0039 .4544 .2635 -.1690 43 LEU 43 -.8682 -1.8410 999.9900 999.9900 -.7775 -1.1622 -.9747 .4448 -.1467 -.8033 44 ASP 44 -.5058 -.5889 999.9900 999.9900 .8104 -.0948 -.0433 -.3380 -.2152 -.1331 45 TYR 45 -1.7762 -.0292 999.9900 999.9900 .0463 -.5864 .5433 .6065 .5802 -.1219 46 SER 46 .7489 999.9900 -.7153 999.9900 .5215 .1850 .2474 .3535 .3093 .2312 47 GLY 47 .6821 999.9900 999.9900 999.9900 .3016 .4919 -.3825 .6106 .1692 .3030 48 ARG 48 -.4155 .7158 999.9900 .5548 -.0022 .2815 -.0515 .6038 .3307 .2800 49 SER 49 -.3484 999.9900 1.2119 999.9900 .5215 .4617 -.6228 .5470 .0596 .2618 50 TRP 50 -.6038 -.8273 999.9900 999.9900 .2792 -.3840 -1.7202 .4712 -.4419 -.4802 51 THR 51 -1.0713 999.9900 .0483 999.9900 -.0562 -.3597 -.1957 .0291 -.0646 -.2492 52 VAL 52 -.3637 999.9900 -.2457 999.9900 -.3781 -.3292 -.9154 .5905 -.0370 -.2625 53 ARG 53 -.5160 1.0644 999.9900 .7862 .7064 .5654 -.1833 .4739 .2001 .4454 54 MET 54 -.3206 .5321 999.9900 .9587 -1.9874 -.2043 -.7213 .5323 .0100 -.1677 55 LYS 55 -.3414 1.1488 999.9900 1.2081 -.3378 .5772 .1834 .6307 .4443 .5286 56 LYS 56 -.8010 .0031 999.9900 .4405 .5595 .1285 -2.1690 -.6174 -1.2639 -.3062 57 ARG 57 -1.2588 .7158 999.9900 .7862 -2.3710 -.2683 -.4744 .2901 -.0284 -.2180 58 GLY 58 -1.4300 999.9900 999.9900 999.9900 -.2551 -.8426 .1084 .4392 .2922 -.2844 59 GLU 59 -1.0162 .6194 999.9900 -1.0323 -1.2865 -.6789 .1150 .6697 .4386 -.3218 60 LYS 60 -.2512 -.2970 999.9900 .2495 .0060 -.0086 -.0327 .4372 .2414 .0516 61 VAL 61 .1037 999.9900 -.5532 999.9900 .6503 .0670 .5616 .5958 .5816 .2717 62 PHE 62 .1414 .8396 999.9900 999.9900 -2.2412 -.4201 .4031 .3842 .3921 -.0946 63 LEU 63 -.5127 -1.6805 999.9900 999.9900 -1.3910 -1.1947 -.0138 .0684 .0342 -.7059 64 THR 64 -4.2065 999.9900 .0483 999.9900 -.7236 -1.6273 .2892 .4889 .4057 -.8208 65 VAL 65 -.3161 999.9900 .4980 999.9900 .2505 .1441 -.0929 .5329 .2721 .1745 66 GLY 66 -.8931 999.9900 999.9900 999.9900 .2782 -.3074 -.9936 -.0711 -.4811 -.4199 67 TRP 67 .1793 .1308 999.9900 999.9900 -.1614 .0496 -.7092 .3167 -.1108 -.0488 68 GLU 68 .4426 .0559 999.9900 1.1588 .2865 .4859 .3877 -.2165 .0353 .3525 69 ASN 69 .1214 .1037 999.9900 999.9900 .1006 .1086 .4028 .6362 .5389 .2729 70 PHE 70 .6259 -.4798 999.9900 999.9900 -.0075 .0462 .4430 .4491 .4466 .2062 71 VAL 71 .8065 999.9900 -1.0788 999.9900 .8778 .2018 -1.5461 .5361 -.3314 -.0809 72 LYS 72 .3654 -.2562 999.9900 1.0822 .5850 .5717 .1994 .0086 .0881 .4381 73 ASP 73 .9921 -.4551 999.9900 999.9900 .7118 .4163 .3753 -.0800 .1097 .3088 74 ASN 74 .0718 -.0024 999.9900 999.9900 .9106 .3267 .3832 .5560 .4840 .3838 75 ASN 75 -2.0408 .1619 999.9900 999.9900 -.5831 -.8207 -.7148 -.8525 -.7951 -.8059 76 LEU 76 -2.8468 -1.8410 999.9900 999.9900 .1315 -1.5188 -.6802 -.0604 -.3186 -1.0594 77 GLU 77 -1.2742 -.8169 999.9900 .3501 .3899 -.3378 -.3949 .3836 .0592 -.2271 78 ASP 78 -.6028 -1.2611 999.9900 999.9900 -.5661 -.8100 .4120 .5590 .4977 -.2918 79 GLY 79 -1.5840 999.9900 999.9900 999.9900 .0351 -.7744 .3898 .6071 .5105 -.1380 80 LYS 80 -.3543 .9683 999.9900 .2495 -.3378 .1550 -.2873 .4902 .1662 .1397 81 TYR 81 -.6610 .2322 999.9900 999.9900 .1301 -.0995 -.0295 .2536 .1356 -.0149 82 LEU 82 -.3571 -2.7185 999.9900 999.9900 .8331 -.7475 -.8298 .1732 -.2447 -.5798 83 GLN 83 -.1966 .6267 999.9900 1.3059 .7486 .6211 -.8790 .5211 -.0623 .3544 84 PHE 84 .0900 .5589 999.9900 999.9900 -2.2412 -.5308 -.8035 .2936 -.1635 -.4204 85 ILE 85 -.3198 .6227 999.9900 999.9900 -2.8566 -.8512 -2.0261 -.5668 -1.1748 -1.0293 86 TYR 86 -.1271 .4609 999.9900 999.9900 -1.0119 -.2260 -.2145 -.5493 -.4098 -.2884 87 ASP 87 -2.8635 -1.4116 999.9900 999.9900 .3772 -1.2993 .1167 -.2487 -.0964 -.8060 88 ARG 88 -2.9267 -1.5080 999.9900 .6901 -2.3710 -1.0851 .3782 -1.2383 -.5648 -.8980 89 ASP 89 -1.7533 -.7325 999.9900 999.9900 -.4783 -.9880 -.2598 .2281 .0248 -.5991 90 ARG 90 -.5979 -.4122 999.9900 .1593 -.0761 -.1535 .1514 .5278 .3710 -.0126 91 THR 91 .4548 999.9900 -.8810 999.9900 -1.0006 -.4756 -.0744 .1194 .0386 -.2764 92 PHE 92 .2013 .9147 999.9900 999.9900 .1482 .4214 .1513 .6317 .4315 .4094 93 TYR 93 -.1387 .5582 999.9900 999.9900 .6984 .3726 -.7020 .5813 .0466 .1994 94 VAL 94 -.1853 999.9900 .2799 999.9900 -.2503 -.0519 -.8425 .4038 -.1155 -.1189 95 ILE 95 .0187 -1.0451 999.9900 999.9900 .5300 -.1655 -.1657 .4439 .1899 -.0436 96 ILE 96 -.3198 -.0177 999.9900 999.9900 .8537 .1721 .0349 .6045 .3672 .2311 97 TYR 97 .2641 -.4266 999.9900 999.9900 .6984 .1787 -.0457 .0910 .0340 .1162 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -.2551 -1.8708 .1684 .6200 .4193 -.7383 99 HIS 99 -.5497 .3416 999.9900 999.9900 -.6493 -.2858 .3795 .5819 .4976 .0208 100 ASN 100 -.5668 -1.4522 999.9900 999.9900 -.2632 -.7607 .2403 .6442 .4759 -.2796 101 MET 101 -.3657 .5321 999.9900 .9587 -.3043 .2052 .1264 .5845 .3936 .2553 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 .4795 .4245 .4481 .7320 Means: -.5037 -.1898 -.0437 .5596 -.1377 -.1719 -.1569 .3088 .1139 -.0757 2.00 refined_11