1 MET 1 999.9900 .8879 999.9900 .9587 -.8385 .3360 -.1720 .4118 .1464 .2496 2 ALA 2 -1.9174 999.9900 999.9900 999.9900 -.8374 -1.3774 -.1587 .4348 .1875 -.6197 3 ASP 3 -1.5723 -1.1062 999.9900 999.9900 -1.0225 -1.2337 -1.0470 .4965 -.1466 -.8503 4 THR 4 -.4891 999.9900 -.2947 999.9900 .6695 -.0381 -.0277 .3405 .1871 .0397 5 GLY 5 -2.1575 999.9900 999.9900 999.9900 .2782 -.9396 -.4382 .5532 .1125 -.4411 6 GLU 6 -.9196 -.3402 999.9900 -1.0323 -.4821 -.6936 -.4183 .6339 .1955 -.4264 7 VAL 7 -.0463 999.9900 -.0276 999.9900 .6734 .1998 -1.4486 .4062 -.3666 -.0886 8 GLN 8 -.3746 -1.0871 999.9900 1.3059 .2680 .0280 -.6974 -.2337 -.4269 -.1365 9 PHE 9 -.3209 .1164 999.9900 999.9900 .6382 .1446 .4094 .6565 .5535 .2999 10 MET 10 -.3815 .0095 999.9900 .9587 -1.9874 -.3502 .2119 .5772 .4250 -.1019 11 LYS 11 -.7523 -2.4344 999.9900 .2495 -1.4057 -.8187 -.1571 -.6925 -.4694 -.7061 12 PRO 12 .4011 999.9900 999.9900 999.9900 -1.0436 -.3212 -.4168 .3953 .0569 -.1660 13 PHE 13 -.2770 -3.6820 999.9900 999.9900 .4513 -1.1692 -.4194 .4777 .1039 -.6899 14 ILE 14 -.0879 -2.2551 999.9900 999.9900 -2.1444 -1.4958 -.3410 .3750 .0767 -.8907 15 SER 15 .6370 999.9900 -.7153 999.9900 .3425 .0880 .5487 .2986 .4028 .2223 16 GLU 16 .8733 .4305 999.9900 .3501 .2865 .4851 .5619 .5738 .5689 .5127 17 LYS 17 -.4760 -2.1617 999.9900 1.2407 -.4892 -.1291 -.0934 -.1800 -.1439 -.1312 18 SER 18 .1386 999.9900 -.7153 999.9900 -.3810 -.3192 .4406 .4488 .4454 -.0137 19 SER 19 .9506 999.9900 .6576 999.9900 .7151 .7744 .0877 .5817 .3759 .5985 20 LYS 20 -3.5196 .9554 999.9900 .5131 .0525 -.2971 .1511 -.0638 .0258 -.1997 21 SER 21 .0280 999.9900 .3727 999.9900 -.0193 .1271 -.0919 .5198 .2649 .1619 22 LEU 22 -.4108 -1.4036 999.9900 999.9900 .5293 -.4284 -1.8242 .1138 -.6937 -.5991 23 GLU 23 -1.3222 .1870 999.9900 -1.0323 .2101 -.4893 -1.0000 .4399 -.1601 -.4196 24 ILE 24 .0718 .6227 999.9900 999.9900 .2717 .3221 -.0727 .3520 .1750 .2491 25 PRO 25 .3725 999.9900 999.9900 999.9900 .4949 .4337 .6381 .6357 .6367 .5353 26 LEU 26 .8475 -1.4036 999.9900 999.9900 .5293 -.0089 .3089 .3082 .3085 .1180 27 GLY 27 .9829 999.9900 999.9900 999.9900 -.2551 .3639 .5919 .5600 .5742 .4699 28 PHE 28 1.2230 -.6308 999.9900 999.9900 .5949 .3957 .5635 .1263 .3085 .3754 29 ASN 29 1.3908 -1.4522 999.9900 999.9900 .5940 .1776 .5958 .6641 .6356 .3585 30 GLU 30 1.0761 .7809 999.9900 .3501 -.6780 .3823 .4063 .5041 .4634 .4066 31 TYR 31 .6431 .4609 999.9900 999.9900 -.1498 .3180 .4216 .3844 .3999 .3520 32 PHE 32 -1.9971 .1164 999.9900 999.9900 -2.2412 -1.3740 .3792 .3239 .3469 -.6837 33 PRO 33 .0120 999.9900 999.9900 999.9900 -.4005 -.1943 -3.6742 -.3072 -1.7101 -1.0925 34 ALA 34 -.6925 999.9900 999.9900 999.9900 -.3587 -.5256 -.0666 .4837 .2544 -.1585 35 PRO 35 .4049 999.9900 999.9900 999.9900 .5793 .4921 .0007 .3821 .2232 .3418 36 PHE 36 -1.3662 -.3506 999.9900 999.9900 .5949 -.3740 -.4247 .3331 .0174 -.2427 37 PRO 37 -1.9661 999.9900 999.9900 999.9900 .9143 -.5259 .1714 .6728 .4639 -.0519 38 ILE 38 .3698 -.0177 999.9900 999.9900 .2717 .2079 .4865 .5982 .5517 .3417 39 THR 39 .2564 999.9900 -.8810 999.9900 .9813 .1189 -.5921 .5242 .0591 .0578 40 VAL 40 -.0523 999.9900 .7395 999.9900 .2505 .3126 -.6029 -.2739 -.4110 .0122 41 ASP 41 -1.5723 -.4801 999.9900 999.9900 .2216 -.6103 .1490 .4153 .3044 -.2533 42 LEU 42 .1006 .5280 999.9900 999.9900 .3942 .3409 -.1678 .3749 .1488 .2460 43 LEU 43 .0762 -1.8410 999.9900 999.9900 -1.0998 -.9549 -.5468 .5166 .0735 -.5790 44 ASP 44 -.6569 -.5059 999.9900 999.9900 -.3226 -.4952 -.1337 .3618 .1553 -.2515 45 TYR 45 -1.0449 .5297 999.9900 999.9900 -1.3683 -.6278 .6628 .2181 .4034 -.2005 46 SER 46 .4341 999.9900 -.7153 999.9900 -.5437 -.2750 .4196 .4975 .4650 .0184 47 GLY 47 -1.2283 999.9900 999.9900 999.9900 -.2990 -.7637 .5827 .2293 .3864 -.1788 48 ARG 48 -.4155 .8164 999.9900 .1593 -.0022 .1435 .2952 .1140 .1895 .1609 49 SER 49 .2241 999.9900 .3727 999.9900 .5991 .3986 .3767 .3541 .3635 .3854 50 TRP 50 -.1712 -.2441 999.9900 999.9900 .5918 .0588 -.1473 .4897 .2243 .1038 51 THR 51 .0164 999.9900 1.0667 999.9900 -1.6680 -.1950 .0413 .3768 .2370 -.0334 52 VAL 52 -.0582 999.9900 -.5532 999.9900 -.0858 -.2324 .4884 .2729 .3627 .0128 53 ARG 53 -.4063 1.1781 999.9900 1.3169 .4407 .7693 .5085 .5749 .5472 .7042 54 MET 54 -.3206 .2906 999.9900 1.7963 -.8385 .2320 -.1200 .1861 .0586 .1657 55 LYS 55 -.1919 1.1488 999.9900 -.4035 -1.2036 -.2107 .0361 .4664 .2871 -.0787 56 LYS 56 -.6050 .4083 999.9900 .3546 .6340 .2293 -5.1411 .0383 -2.1198 -.5652 57 ARG 57 -2.0927 .8164 999.9900 1.2696 .5640 .3654 -.5915 .4965 .0432 .2474 58 GLY 58 -1.5840 999.9900 999.9900 999.9900 -.9224 -1.2532 -.2253 .6889 .2826 -.5107 59 GLU 59 -.4382 .6231 999.9900 .3501 .2491 .1960 .5654 .6602 .6207 .3349 60 LYS 60 -.6340 1.1488 999.9900 1.3578 -.0430 .6375 .2601 .6618 .4945 .5871 61 VAL 61 -.0346 999.9900 -.5532 999.9900 .8960 .1028 -.2524 .4373 .1499 .0986 62 PHE 62 -.1586 .8396 999.9900 999.9900 -.0962 .1949 -1.8779 .5687 -.4507 -.1449 63 LEU 63 -.4108 -1.4036 999.9900 999.9900 -3.2047 -1.6730 -.7078 -.6766 -.6896 -1.2807 64 THR 64 -3.6133 999.9900 .4804 999.9900 -1.6680 -1.6003 .3098 .1033 .1893 -.8776 65 VAL 65 -.5725 999.9900 -.2457 999.9900 -.6089 -.4757 .2757 .4086 .3532 -.1486 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 .8277 -.2787 -.2446 .6353 .2442 -.0417 67 TRP 67 .2222 .5502 999.9900 999.9900 -1.6678 -.2984 -.0025 .6466 .3762 -.0502 68 GLU 68 .3258 -.2533 999.9900 -1.0323 .3899 -.1425 .0648 -.0443 .0012 -.0916 69 ASN 69 .9310 1.0524 999.9900 999.9900 .4442 .8092 .4149 .5264 .4800 .6738 70 PHE 70 .6259 -.1636 999.9900 999.9900 .5949 .3524 .2672 .3489 .3149 .3347 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 -.3121 -.1149 .2992 .4602 .3931 .0829 72 LYS 72 1.0838 1.1634 999.9900 .4778 -2.0338 .2338 .5075 .4860 .4950 .3089 73 ASP 73 .2706 -.4551 999.9900 999.9900 .4469 .0875 .3566 .2426 .2901 .1723 74 ASN 74 -.1320 -1.5725 999.9900 999.9900 -2.3288 -1.3444 .3139 .4103 .3701 -.6618 75 ASN 75 -1.7258 -.4258 999.9900 999.9900 .5222 -.5431 -.0856 .0195 -.0243 -.3391 76 LEU 76 .0291 -3.3760 999.9900 999.9900 -.2242 -1.1904 -2.5546 -.2987 -1.2387 -1.2849 77 GLU 77 -1.2742 1.0525 999.9900 .3501 .4526 .1452 -.2713 .4145 .1288 .1207 78 ASP 78 -.5899 -.9304 999.9900 999.9900 .4469 -.3578 .3742 .6053 .5090 -.0188 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 .4101 -.8737 .4803 .6296 .5632 -.1594 80 LYS 80 -.3414 1.1188 999.9900 -.4035 -1.4057 -.2871 .4761 .5282 .5065 -.0616 81 TYR 81 .0017 .5297 999.9900 999.9900 .2066 .2460 -.9488 .5419 -.0792 .0662 82 LEU 82 .0291 -1.4996 999.9900 999.9900 .9730 -.1658 -.9784 .2777 -.2457 -.2396 83 GLN 83 -.1966 .6816 999.9900 1.3059 .9038 .6737 -1.0751 .5192 -.1451 .3565 84 PHE 84 -.2255 .8396 999.9900 999.9900 .2815 .2985 -.7558 .6280 .0514 .1535 85 ILE 85 .1597 .2838 999.9900 999.9900 .2717 .2384 -.1956 .5346 .2303 .2108 86 TYR 86 .3730 .5582 999.9900 999.9900 -.1498 .2605 .4616 .5603 .5192 .3607 87 ASP 87 -3.3417 -.7868 999.9900 999.9900 -1.5875 -1.9054 .3234 .3306 .3276 -1.0124 88 ARG 88 -2.5097 .1897 999.9900 .1593 -1.0907 -.6184 .0834 -.3921 -.1939 -.4858 89 ASP 89 -1.3872 -1.6521 999.9900 999.9900 .5121 -.8424 -3.5438 .2674 -1.3206 -1.1607 90 ARG 90 -2.0927 -2.8571 999.9900 .1593 -.0022 -.9267 .1157 .3672 .2624 -.5930 91 THR 91 .0102 999.9900 .8779 999.9900 -1.6680 -.2599 .0776 .4120 .2726 -.0581 92 PHE 92 .1161 .0967 999.9900 999.9900 -.3041 -.0304 -.4626 .0433 -.1675 -.1021 93 TYR 93 .0500 .2608 999.9900 999.9900 -.4027 -.0306 .4735 .3491 .4009 .1461 94 VAL 94 .3372 999.9900 -.5532 999.9900 -.3121 -.1760 .6036 .6910 .6546 .1533 95 ILE 95 .2866 .6227 999.9900 999.9900 -.7199 .0631 .4953 .5969 .5546 .2563 96 ILE 96 .0718 -2.2551 999.9900 999.9900 .4912 -.5641 -.3707 .4890 .1308 -.3148 97 TYR 97 -.1387 .8492 999.9900 999.9900 .5127 .4077 .1026 .6148 .4014 .3881 98 GLY 98 -1.1938 999.9900 999.9900 999.9900 .3466 -.4236 -.0789 .4856 .2347 -.1101 99 HIS 99 -.9818 .8055 999.9900 999.9900 .5185 .1141 -.2192 .1763 .0115 .0598 100 ASN 100 -2.5793 .1235 999.9900 999.9900 .3127 -.7144 .0194 .4028 .2430 -.3442 101 MET 101 -.8637 -2.5481 999.9900 .9587 -.8385 -.8229 -.7776 .2689 -.1671 -.6334 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .3082 .4987 .4171 .3122 Means: -.4292 -.2594 -.0861 .4741 -.1793 -.1893 -.1832 .3580 .1315 -.0813 2.00 refined_14