1 MET 1 999.9900 -.1452 999.9900 .9587 .9122 .5752 .5849 .5658 .5744 .5752 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .0212 -1.7217 .5250 .1762 .3215 -.6856 3 ASP 3 -.9091 -1.6521 999.9900 999.9900 .7118 -.6164 -.2009 .4004 .1499 -.3300 4 THR 4 -4.2065 999.9900 .7650 999.9900 .5164 -.9751 -.7362 .5850 .0345 -.6153 5 GLY 5 -.5702 999.9900 999.9900 999.9900 .4101 -.0801 .0581 .2722 .1770 .0425 6 GLU 6 -3.2255 -1.4588 999.9900 -1.0323 .2865 -1.3575 -.1018 .0987 .0151 -.9055 7 VAL 7 .3116 999.9900 -.0276 999.9900 -.6089 -.1083 -.2070 .4727 .1895 -.0118 8 GLN 8 -.4424 -2.2325 999.9900 1.3059 -.9446 -.5784 -.8502 .6767 .0405 -.4145 9 PHE 9 .1414 -.3078 999.9900 999.9900 .5949 .1428 -.7583 .4057 -.0793 .0152 10 MET 10 -.0824 .5321 999.9900 .9587 .0476 .3640 .0719 .6549 .4119 .3638 11 LYS 11 -.7523 -2.9005 999.9900 1.2950 -.5755 -.3277 -.3727 -.1523 -.2441 -.3090 12 PRO 12 .6201 999.9900 999.9900 999.9900 .2989 .4595 -.0377 .3934 .2137 .3186 13 PHE 13 .0900 .7639 999.9900 999.9900 1.0159 .6233 .4498 .6271 .5532 .5893 14 ILE 14 -.1796 .6227 999.9900 999.9900 -1.0155 -.1908 -.1473 .3483 .1418 -.0743 15 SER 15 .8349 999.9900 -.0289 999.9900 -.1819 .2080 -.0475 .5359 .2928 .2225 16 GLU 16 1.0761 .8332 999.9900 -1.0323 .0339 .2277 .2773 .4698 .3896 .2763 17 LYS 17 -2.0221 -.2970 999.9900 .3546 -.6710 -.4562 .1238 .4901 .3375 -.2381 18 SER 18 -.5255 999.9900 -.0289 999.9900 -1.9795 -.8446 .1272 .3181 .2386 -.4177 19 SER 19 .6980 999.9900 -.0289 999.9900 .5215 .3969 .4716 .3414 .3957 .4007 20 LYS 20 -2.7709 .0381 999.9900 .4411 -.1497 -.4000 .4657 .5954 .5414 -.1341 21 SER 21 .2875 999.9900 .6576 999.9900 .6705 .5385 .2038 .5040 .3789 .4647 22 LEU 22 -.4108 -2.3037 999.9900 999.9900 .4774 -.7457 -.3481 .1237 -.0729 -.4923 23 GLU 23 -.4497 -.1645 999.9900 -1.0323 .3223 -.3311 -.2338 .3277 .0937 -.2051 24 ILE 24 .2768 -.3653 999.9900 999.9900 .3195 .0770 .4570 .4871 .4746 .2350 25 PRO 25 .6201 999.9900 999.9900 999.9900 .4949 .5575 .5187 .5418 .5321 .5439 26 LEU 26 .8475 -1.2835 999.9900 999.9900 .5787 .0476 .3160 .3406 .3303 .1599 27 GLY 27 .9829 999.9900 999.9900 999.9900 .4101 .6965 .5365 .6475 .5981 .6442 28 PHE 28 .8041 .4845 999.9900 999.9900 -.0075 .4271 .6559 .3492 .4770 .4573 29 ASN 29 1.1678 -1.2512 999.9900 999.9900 .3587 .0918 .6234 .6349 .6301 .3067 30 GLU 30 .0468 .8793 999.9900 -1.0323 .5390 .1082 .2237 .5077 .3894 .1940 31 TYR 31 -.7788 .4609 999.9900 999.9900 -.5629 -.2936 .1139 .2794 .2105 -.0975 32 PHE 32 -3.6149 .0697 999.9900 999.9900 -2.2412 -1.9288 -.0680 .0838 .0205 -1.1541 33 PRO 33 -2.4417 999.9900 999.9900 999.9900 .5793 -.9312 -3.5780 .5627 -1.1626 -1.2194 34 ALA 34 -.9755 999.9900 999.9900 999.9900 -1.6579 -1.3167 .3481 .1844 .2526 -.5252 35 PRO 35 .4049 999.9900 999.9900 999.9900 -1.6867 -.6409 .6206 .2757 .4194 -.0964 36 PHE 36 -1.5081 -.1118 999.9900 999.9900 .5949 -.3417 .5742 .6727 .6317 .0444 37 PRO 37 -1.3581 999.9900 999.9900 999.9900 .4949 -.4316 -.8744 .6626 .0222 -.2687 38 ILE 38 -.2490 -.0177 999.9900 999.9900 -.7199 -.3289 .3016 .4385 .3815 -.0493 39 THR 39 .3976 999.9900 .0483 999.9900 .6695 .3718 -.0880 .6412 .3373 .3337 40 VAL 40 -.0582 999.9900 .7395 999.9900 .7394 .4736 -.0979 .1701 .0584 .2986 41 ASP 41 -.5526 -.7868 999.9900 999.9900 .2628 -.3589 -.2709 .5058 .1822 -.1684 42 LEU 42 -.1897 .8730 999.9900 999.9900 .3346 .3393 -.9491 .4349 -.1418 .1007 43 LEU 43 -.3896 -1.5832 999.9900 999.9900 .5293 -.4812 -.4110 .3720 .0457 -.2965 44 ASP 44 -1.0941 -.5889 999.9900 999.9900 .2216 -.4871 .3064 .0518 .1579 -.2206 45 TYR 45 .6101 -2.1671 999.9900 999.9900 .7784 -.2595 .4478 .4830 .4684 .0305 46 SER 46 -.3643 999.9900 -.7153 999.9900 -.0193 -.3663 .5054 .6268 .5762 .0066 47 GLY 47 .1996 999.9900 999.9900 999.9900 -.5578 -.1791 .4359 .6112 .5333 .1722 48 ARG 48 -.5733 .1897 999.9900 .1593 -.2445 -.0619 .1048 .3989 .2764 .0277 49 SER 49 -.0741 999.9900 -.0289 999.9900 -.1819 -.0950 .1487 .5194 .3649 .0766 50 TRP 50 -.2452 -.0877 999.9900 999.9900 -.4740 -.2690 -.0733 .4612 .2385 -.0838 51 THR 51 -.2319 999.9900 1.0667 999.9900 -1.3910 -.1854 -.2971 .5113 .1744 -.0684 52 VAL 52 -.3637 999.9900 -.2457 999.9900 .5776 -.0106 .3852 .3955 .3912 .1498 53 ARG 53 -.6502 .8164 999.9900 1.8004 .5247 .8583 -.0234 .3497 .1942 .6597 54 MET 54 -.2651 -1.7864 999.9900 .9587 .9122 -.0452 .2126 .0600 .1236 .0153 55 LYS 55 -.1919 1.1776 999.9900 .9587 -.4892 .4828 -.8655 .5881 -.0175 .3052 56 LYS 56 -.1665 .4083 999.9900 .3546 .6805 .3263 -3.6781 .1673 -1.4350 -.2685 57 ARG 57 -1.7561 .8024 999.9900 .7862 .6017 .2441 -.6797 .5700 .0493 .1587 58 GLY 58 -1.4300 999.9900 999.9900 999.9900 -.4997 -.9649 -.9149 .6803 -.0287 -.5411 59 GLU 59 -.6726 -.9977 999.9900 -1.0323 -1.8950 -1.1494 .1730 .6311 .4403 -.6322 60 LYS 60 -.3038 .1550 999.9900 -.4035 .0060 -.1900 -.4957 .4158 .0360 -.1471 61 VAL 61 .0429 999.9900 .9747 999.9900 -.3121 .2352 -.7426 .2385 -.1703 .0403 62 PHE 62 -.3916 .1164 999.9900 999.9900 -.3041 -.1931 -.1620 .4870 .2166 -.0509 63 LEU 63 -.3855 -1.6805 999.9900 999.9900 -1.8015 -1.2891 -1.9427 .0192 -.7983 -1.1582 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .1586 -1.6430 -.3560 -.2143 -.2733 -1.0998 65 VAL 65 -1.2071 999.9900 -.0276 999.9900 -1.5772 -.9373 -.0297 .4955 .2767 -.4692 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -1.2432 -1.4136 -.8471 .3955 -.1568 -.8197 67 TRP 67 .2222 -.3018 999.9900 999.9900 .5918 .1707 .3856 .6011 .5113 .2998 68 GLU 68 .8733 -.5578 999.9900 -1.0323 .5390 -.0445 .6043 .6419 .6262 .1781 69 ASN 69 .9310 1.0524 999.9900 999.9900 .6279 .8704 -.3012 .5909 .2192 .5802 70 PHE 70 -.0803 -.6308 999.9900 999.9900 -.0962 -.2691 .3909 .4701 .4371 .0107 71 VAL 71 .7260 999.9900 .3968 999.9900 .2853 .4694 .1472 .2382 .2003 .3587 72 LYS 72 .8536 .2165 999.9900 .8634 -.5755 .4442 .5719 .3695 .4538 .4518 73 ASP 73 .2706 -.5059 999.9900 999.9900 .6587 .1411 .1932 .4672 .3531 .2168 74 ASN 74 .0279 -.3237 999.9900 999.9900 .3127 .0056 .5925 .3954 .4776 .2010 75 ASN 75 -3.4329 .2165 999.9900 999.9900 -.3577 -1.1914 .2129 -.2152 -.0368 -.7153 76 LEU 76 -1.2649 -1.9410 999.9900 999.9900 -1.3910 -1.5323 -.3426 .1396 -.0613 -.9600 77 GLU 77 -2.1524 -.3402 999.9900 -1.0323 .7127 -.7031 .5139 .5575 .5393 -.2901 78 ASP 78 -.6028 -1.0518 999.9900 999.9900 -.3974 -.6840 -.0488 .5756 .3154 -.3051 79 GLY 79 -.4497 999.9900 999.9900 999.9900 -.3452 -.3974 .0608 .5907 .3552 -.0358 80 LYS 80 -.7762 .3679 999.9900 -.4035 .8827 -.0665 .3186 .6332 .5021 .0884 81 TYR 81 .2641 .8258 999.9900 999.9900 .7784 .6228 -.2654 .5740 .2243 .4354 82 LEU 82 .0291 -1.4996 999.9900 999.9900 -.0758 -.5154 -.8438 .4392 -.0954 -.3902 83 GLN 83 -.1966 1.1250 999.9900 1.3059 .1963 .6076 -.9382 .4324 -.1387 .3208 84 PHE 84 -.2457 .5589 999.9900 999.9900 .5495 .2876 -.3740 .6207 .2062 .2219 85 ILE 85 .2768 .6227 999.9900 999.9900 .4912 .4636 -1.6311 .5884 -.3364 .0696 86 TYR 86 -.0287 .4609 999.9900 999.9900 -.2672 .0550 -.7360 .2817 -.1424 -.0579 87 ASP 87 .1889 -.2599 999.9900 999.9900 -2.9873 -1.0194 .5613 .4944 .5223 -.4005 88 ARG 88 -2.9267 1.0858 999.9900 .9503 -.8847 -.1650 .2239 -.8162 -.3828 -.2025 89 ASP 89 -2.8635 -1.6521 999.9900 999.9900 .4469 -1.3562 -1.6193 -1.0909 -1.3111 -1.3558 90 ARG 90 -2.0927 .8164 999.9900 .1593 -.0022 -.1920 .3061 .1526 .2165 -.0716 91 THR 91 .1314 999.9900 -.8810 999.9900 -.0562 -.2686 .4230 .5650 .5058 .0364 92 PHE 92 -.0017 .1608 999.9900 999.9900 .6382 .2658 -.3548 .3359 .0481 .1557 93 TYR 93 .0686 .5582 999.9900 999.9900 -.5629 .0213 -.4661 .4156 .0482 .0027 94 VAL 94 .5332 999.9900 -.2457 999.9900 .1378 .1417 .4776 .5832 .5392 .2972 95 ILE 95 .4877 .6227 999.9900 999.9900 .2717 .4607 .1545 .6094 .4199 .4292 96 ILE 96 -.0918 -3.0500 999.9900 999.9900 .4912 -.8836 -.4611 .2232 -.0619 -.5777 97 TYR 97 -.1271 -.7841 999.9900 999.9900 .2066 -.2348 -.0385 .3204 .1709 -.0845 98 GLY 98 -1.8567 999.9900 999.9900 999.9900 -.0631 -.9599 .1855 .4635 .3400 -.3177 99 HIS 99 -3.0884 .3416 999.9900 999.9900 .5185 -.7428 .1751 .6131 .4306 -.2880 100 ASN 100 -.5477 -.2320 999.9900 999.9900 .1585 -.2070 -.5722 .5017 .0543 -.1383 101 MET 101 -2.6662 .5321 999.9900 .9587 -.8385 -.5035 -.0530 .4627 .2478 -.2674 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.1063 .2922 .1214 .1052 Means: -.5743 -.2683 .0862 .3552 -.0514 -.2001 -.1261 .3906 .1743 -.0721 2.00 refined_7