1 MET 1 999.9900 .8879 999.9900 .9587 .7725 .8730 .4470 .4523 .4499 .7037 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .5367 -1.4640 .1857 .2349 .2144 -.6268 3 ASP 3 -.1512 -1.5469 999.9900 999.9900 .6310 -.3557 -.1239 .6007 .2988 -.1181 4 THR 4 -1.3548 999.9900 .2916 999.9900 .4476 -.2052 .4044 .5575 .4937 .0693 5 GLY 5 -2.9723 999.9900 999.9900 999.9900 .5943 -1.1890 -.1895 .5741 .2347 -.4983 6 GLU 6 -.7937 -.9977 999.9900 .3501 .0814 -.3400 -.0579 .4333 .2286 -.1641 7 VAL 7 -.0523 999.9900 -.2457 999.9900 .6025 .1015 -.0906 .6413 .3363 .1710 8 GLN 8 -.6834 1.1250 999.9900 1.3059 .0346 .4455 .0750 .5153 .3318 .3954 9 PHE 9 -.3209 .4845 999.9900 999.9900 .1482 .1039 .3884 .4653 .4333 .2331 10 MET 10 -.2651 1.0862 999.9900 .9587 .3104 .5225 .3931 .3264 .3542 .4683 11 LYS 11 -.6340 .4083 999.9900 .3240 -2.0338 -.3223 .2502 .5350 .4163 -.1180 12 PRO 12 -.7236 999.9900 999.9900 999.9900 -1.3105 -1.0171 .1161 .4259 .2968 -.3730 13 PHE 13 .1032 .8396 999.9900 999.9900 -.7419 .0669 .3954 .4595 .4328 .2111 14 ILE 14 -.4647 -3.0500 999.9900 999.9900 -1.7278 -1.7475 -.8342 -.0952 -.4031 -1.2344 15 SER 15 .8349 999.9900 -.7153 999.9900 .1597 .0931 .3654 .1533 .2417 .1596 16 GLU 16 .8733 .6046 999.9900 -1.0323 -1.2865 -.2102 .6149 .6268 .6219 .0668 17 LYS 17 -.6960 .7568 999.9900 .5368 .2547 .2778 .2792 .3590 .3257 .2896 18 SER 18 .8760 999.9900 -.7153 999.9900 .3749 .1785 .1435 .5771 .3965 .2512 19 SER 19 .8760 999.9900 .6576 999.9900 -.3096 .4080 .5453 .6441 .6029 .4827 20 LYS 20 -1.4447 -2.1617 999.9900 .4778 -.6710 -.6644 .4915 .0154 .2138 -.4021 21 SER 21 .0280 999.9900 .6576 999.9900 -1.6178 -.3107 .5511 .2470 .3737 -.0268 22 LEU 22 -.1596 -2.9612 999.9900 999.9900 -.8739 -1.3316 -.8866 -.0178 -.3798 -.9798 23 GLU 23 -.8365 -.6022 999.9900 1.7325 .3899 .1709 .4189 .3024 .3509 .2342 24 ILE 24 .2768 -2.2551 999.9900 999.9900 .1689 -.6032 .2743 .4392 .3705 -.2192 25 PRO 25 .1313 999.9900 999.9900 999.9900 -1.3105 -.5896 .4751 .4657 .4696 -.0596 26 LEU 26 .8786 -1.6805 999.9900 999.9900 .2381 -.1879 .3767 .5031 .4504 .0632 27 GLY 27 .2494 999.9900 999.9900 999.9900 -.3452 -.0479 .6441 .6742 .6608 .3056 28 PHE 28 -.0970 -.1288 999.9900 999.9900 .2172 -.0029 .5912 .5352 .5586 .2236 29 ASN 29 .1528 -.5009 999.9900 999.9900 -.4633 -.2705 .0748 .3034 .2081 -.0867 30 GLU 30 .3258 -2.8418 999.9900 1.1588 .0339 -.3308 -.1212 -.0784 -.0963 -.2538 31 TYR 31 -.4151 .5297 999.9900 999.9900 .4594 .1913 .1342 .6121 .4130 .2641 32 PHE 32 -.2457 .9147 999.9900 999.9900 .8629 .5106 .5347 .5941 .5694 .5322 33 PRO 33 -4.5055 999.9900 999.9900 999.9900 .5793 -1.9631 .5407 .2576 .3755 -.7820 34 ALA 34 -.6970 999.9900 999.9900 999.9900 .2908 -.2031 .4375 .5603 .5091 .1479 35 PRO 35 -.5836 999.9900 999.9900 999.9900 .2989 -.1423 .3836 .6449 .5361 .1860 36 PHE 36 -1.4107 .5902 999.9900 999.9900 -.4285 -.4163 .3336 .5711 .4722 -.0689 37 PRO 37 .1879 999.9900 999.9900 999.9900 .5793 .3836 .2748 .6056 .4678 .4119 38 ILE 38 -3.3732 -.0177 999.9900 999.9900 .4089 -.9940 .4363 .5201 .4852 -.4051 39 THR 39 .1260 999.9900 -.2947 999.9900 -1.1761 -.4483 .4285 .5864 .5206 -.0660 40 VAL 40 -.3909 999.9900 -.2457 999.9900 .6503 .0046 -.1310 -.2097 -.1769 -.0654 41 ASP 41 -1.0681 -1.5469 999.9900 999.9900 .7866 -.6095 .2540 .5539 .4289 -.2041 42 LEU 42 -.0536 .8730 999.9900 999.9900 .7348 .5181 .2128 .5453 .4067 .4624 43 LEU 43 .0762 -1.8410 999.9900 999.9900 .3648 -.4667 -2.0938 .5324 -.5619 -.5923 44 ASP 44 -.8144 -2.8653 999.9900 999.9900 -.1878 -1.2892 .5860 .0353 .2648 -.6492 45 TYR 45 -.3830 -.6802 999.9900 999.9900 .5127 -.1835 .4660 .3001 .3692 .0431 46 SER 46 -.0963 999.9900 .3727 999.9900 .7982 .3582 .5437 .5620 .5544 .4361 47 GLY 47 .1996 999.9900 999.9900 999.9900 -.1733 .0131 .2074 .7023 .4823 .2340 48 ARG 48 -.5733 1.1781 999.9900 .9503 -.0022 .5006 -.3434 .5913 .2018 .3930 49 SER 49 -.5771 999.9900 .6576 999.9900 .3088 .1298 .3498 .5885 .4891 .2655 50 TRP 50 -.1712 -1.4740 999.9900 999.9900 -.9146 -.8533 -.5988 .0879 -.1982 -.6141 51 THR 51 -.2319 999.9900 .7650 999.9900 -1.1761 -.2143 -.4213 .4393 .0807 -.1250 52 VAL 52 -.0951 999.9900 .4980 999.9900 -.3121 .0303 .0225 .5219 .3138 .1270 53 ARG 53 -.6502 1.1699 999.9900 .1593 -.3418 .0993 -.6039 .2936 -.0803 .0266 54 MET 54 -.2651 .4901 999.9900 .9587 -1.9874 -.2009 -.7518 .5395 .0015 -.1693 55 LYS 55 -.1919 1.1634 999.9900 .3240 -.8987 .1442 -.3688 .4806 .1267 .1190 56 LYS 56 -.3286 .1030 999.9900 -.0770 -.5755 -.1910 -3.7863 -.2640 -1.7316 -.7151 57 ARG 57 -.7879 .8024 999.9900 .5548 .7064 .3661 -.9894 .6013 -.0615 .2060 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 -.2133 -.7036 -2.2536 .6111 -.6621 -.7624 59 GLU 59 -1.0629 1.0525 999.9900 1.1588 -.7952 .0883 .0185 .4585 .2752 .1384 60 LYS 60 -.8010 1.1776 999.9900 -.0397 -.8987 -.1203 -.1779 .0860 -.0240 -.0991 61 VAL 61 .4158 999.9900 .3968 999.9900 .4989 .4372 -.7759 .0632 -.2864 .1198 62 PHE 62 .0900 .3647 999.9900 999.9900 -1.2178 -.2544 -.2091 .5123 .2118 -.0920 63 LEU 63 -.0792 .8730 999.9900 999.9900 -.9806 -.0623 .4267 .1247 .2505 .0729 64 THR 64 -3.6133 999.9900 -.8810 999.9900 -.7236 -1.7393 -.2003 -.2339 -.2199 -1.1304 65 VAL 65 -.6207 999.9900 -.0276 999.9900 -.0858 -.2447 .5514 .5517 .5516 .0738 66 GLY 66 -1.1938 999.9900 999.9900 999.9900 -.6865 -.9401 -.5497 .3675 -.0401 -.5156 67 TRP 67 .9492 -.3018 999.9900 999.9900 .4467 .3647 -.1176 .4013 .1851 .2755 68 GLU 68 .8733 .8332 999.9900 1.1588 .1264 .7479 .5547 .4736 .5074 .6700 69 ASN 69 1.1678 1.2520 999.9900 999.9900 .7518 1.0572 .2774 .5725 .4496 .8043 70 PHE 70 .6259 .5747 999.9900 999.9900 -.0075 .3977 .3926 .6497 .5426 .4471 71 VAL 71 1.0462 999.9900 .1416 999.9900 -.3121 .2919 .3246 -.2197 .0071 .1961 72 LYS 72 .6780 -2.1617 999.9900 .4405 -.5755 -.2356 -.1896 -.1754 -.1813 -.2205 73 ASP 73 .3915 -.3515 999.9900 999.9900 .5431 .1944 .4673 .1479 .2810 .2397 74 ASN 74 .3429 -.8278 999.9900 999.9900 -.8850 -.4566 .3313 .1481 .2244 -.1781 75 ASN 75 -2.3558 -.2034 999.9900 999.9900 -.2632 -.9408 .3802 .1432 .2420 -.4598 76 LEU 76 -2.2364 -1.5262 999.9900 999.9900 .3346 -1.1427 -1.5559 -2.9924 -2.3939 -1.5953 77 GLU 77 -.6897 .6231 999.9900 -1.0323 .3899 -.1773 .1002 -.0247 .0273 -.1056 78 ASP 78 -.7312 -1.2276 999.9900 999.9900 .6026 -.4521 .1740 .5142 .3725 -.1336 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -.0291 -.6658 .2568 .5205 .4033 -.1386 80 LYS 80 -.2741 .9683 999.9900 .7184 .0525 .4367 .2140 .5267 .3964 .4178 81 TYR 81 .6005 .8258 999.9900 999.9900 .6556 .6939 -.4311 .5684 .1519 .4438 82 LEU 82 .0291 .8730 999.9900 999.9900 -.6084 .0979 -.5533 .6078 .1240 .0696 83 GLN 83 -.1966 .6267 999.9900 1.3059 .0346 .4427 -.6881 .4235 -.0397 .2510 84 PHE 84 -.2255 .1033 999.9900 999.9900 -.7419 -.2880 -.4537 .5805 .1496 -.1474 85 ILE 85 -.3198 -.4893 999.9900 999.9900 -.3927 -.4006 -.7945 -.0002 -.3311 -.3993 86 TYR 86 -.0287 .0807 999.9900 999.9900 -1.3683 -.4388 -.6038 .4990 .0395 -.2842 87 ASP 87 -.5648 -.3515 999.9900 999.9900 .1786 -.2459 .2142 .0119 .0962 -.1023 88 ARG 88 -2.9267 -1.7413 999.9900 .7862 -1.7309 -.9653 .3235 .2215 .2640 -.6116 89 ASP 89 -2.8635 -1.1062 999.9900 999.9900 .8336 -1.0454 -1.9561 -.6485 -1.1933 -1.1481 90 ARG 90 -.8418 .7037 999.9900 .9503 -.4506 .2624 .3312 -.1528 .0489 .2129 91 THR 91 .1937 999.9900 .8779 999.9900 .1092 .3936 .0978 .3796 .2622 .3317 92 PHE 92 .0966 .1608 999.9900 999.9900 -.0075 .0833 .1875 .3956 .3089 .1666 93 TYR 93 .3730 -.2907 999.9900 999.9900 -.5629 -.1602 .3057 .2991 .3018 .0248 94 VAL 94 .4158 999.9900 -1.0788 999.9900 -1.1891 -.6173 .3202 .4594 .4014 -.2145 95 ILE 95 -.1366 -3.0500 999.9900 999.9900 -1.2029 -1.4632 .0216 -.2038 -.1099 -.9143 96 ILE 96 .4877 -3.0500 999.9900 999.9900 -.4906 -1.0176 -.1854 .6252 .2874 -.5226 97 TYR 97 .5504 -.3906 999.9900 999.9900 -.1498 .0033 -.1558 .0113 -.0583 -.0269 98 GLY 98 -1.7079 999.9900 999.9900 999.9900 -.5578 -1.1328 .0813 -.2097 -.0804 -.5985 99 HIS 99 -1.4902 -.4813 999.9900 999.9900 -.1902 -.7206 .2928 .3146 .3055 -.3109 100 ASN 100 -.9637 -1.4522 999.9900 999.9900 .6279 -.5960 .1762 .6782 .4690 -.1867 101 MET 101 -1.8017 -1.5870 999.9900 .9587 .7725 -.4144 .3839 .5112 .4582 -.1271 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .2735 .3505 .3175 .2512 Means: -.4772 -.3281 .0654 .5680 -.1672 -.1947 -.0186 .3172 .1766 -.0626 2.00 refined_17