1 MET 1 999.9900 .5321 999.9900 .9587 .6950 .7286 .2844 .6450 .4811 .6230 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 -.0105 -1.0049 .0494 .5708 .3535 -.3474 3 ASP 3 -.6430 -.5059 999.9900 999.9900 .6856 -.1545 -.0821 .6924 .3697 .0294 4 THR 4 -4.2065 999.9900 -.8810 999.9900 .8957 -1.3973 -.6033 .2150 -.1260 -.9160 5 GLY 5 -1.9441 999.9900 999.9900 999.9900 .2782 -.8329 -.4034 .1681 -.0859 -.4753 6 GLU 6 -3.2255 .8332 999.9900 -1.0323 .5923 -.7081 .1482 -.0197 .0502 -.4507 7 VAL 7 .0815 999.9900 -.2457 999.9900 -.8010 -.3217 -.9155 .5170 -.0799 -.2727 8 GLN 8 -.5881 -.5630 999.9900 1.3059 -1.2230 -.2671 -.7704 .4152 -.0788 -.2372 9 PHE 9 .1414 .5389 999.9900 999.9900 -.0075 .2243 -.3912 .2661 -.0077 .1096 10 MET 10 -.1902 .5321 999.9900 .9587 .7725 .5183 .5268 .6686 .6095 .5447 11 LYS 11 -.4160 .7114 999.9900 -.4035 -1.6664 -.4356 .4984 .4139 .4491 -.1808 12 PRO 12 .3744 999.9900 999.9900 999.9900 .6188 .4966 -.0792 .4457 .2270 .3399 13 PHE 13 -.2560 -.1636 999.9900 999.9900 -.7419 -.3872 .4742 .5626 .5257 -.0249 14 ILE 14 .1597 -1.8577 999.9900 999.9900 -2.8566 -1.5182 -.0772 .1884 .0777 -.8887 15 SER 15 .8760 999.9900 .3727 999.9900 .8922 .7136 .0833 .5538 .3577 .5556 16 GLU 16 -.2326 .6653 999.9900 -1.0323 -1.8950 -.6237 .0237 .5735 .3444 -.3162 17 LYS 17 -.4760 -.2178 999.9900 .1731 .5850 .0475 .4407 .4744 .4604 .1646 18 SER 18 .1178 999.9900 -.7153 999.9900 .7576 .0534 .2440 .5653 .4314 .1939 19 SER 19 .7489 999.9900 -.7153 999.9900 -.6377 -.2014 .5489 .6276 .5948 .1145 20 LYS 20 -1.5887 .9683 999.9900 .1731 -.6710 -.1891 -.2434 .5427 .2152 -.0923 21 SER 21 -.4229 999.9900 -.0289 999.9900 -.5437 -.3318 -.9842 .4837 -.1280 -.2992 22 LEU 22 -.2787 -1.8410 999.9900 999.9900 .1683 -.6505 -.8010 .1093 -.2700 -.5286 23 GLU 23 -.5440 -.9977 999.9900 -1.0323 .3223 -.5629 -.4938 .5280 .1022 -.3696 24 ILE 24 -.1621 -.0177 999.9900 999.9900 .8537 .2246 .4528 .5299 .4978 .3313 25 PRO 25 .3725 999.9900 999.9900 999.9900 -.8366 -.2320 .5756 .5209 .5437 .1581 26 LEU 26 .8786 .8730 999.9900 999.9900 .2381 .6632 .6137 .5314 .5657 .6270 27 GLY 27 -.2363 999.9900 999.9900 999.9900 -.6865 -.4614 .0946 .6922 .4266 -.0340 28 PHE 28 -.7647 .5389 999.9900 999.9900 .1482 -.0259 .1208 .6150 .4091 .1316 29 ASN 29 -.2139 .1037 999.9900 999.9900 .3587 .0828 .6175 .5383 .5713 .2809 30 GLU 30 -.2702 -2.3808 999.9900 -1.0323 .2865 -.8492 -.1327 -.3181 -.2408 -.6413 31 TYR 31 .3338 .5130 999.9900 999.9900 .7784 .5417 .2462 -.2654 -.0522 .3212 32 PHE 32 -1.6194 -.0709 999.9900 999.9900 -2.2412 -1.3105 .1149 .2146 .1730 -.7204 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.4005 -.5621 -1.7521 .1677 -.6322 -.6771 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.0083 -.7009 .4962 .4211 .4524 -.1212 35 PRO 35 .6201 999.9900 999.9900 999.9900 -1.3105 -.3452 .3893 .3399 .3605 .0097 36 PHE 36 -.8715 -.0709 999.9900 999.9900 .2172 -.2417 -.7950 .4995 -.0399 -.2041 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 -.5244 -.8346 -.9366 .6488 -.0118 -.4893 38 ILE 38 -1.8492 -.0177 999.9900 999.9900 -.1449 -.6706 -.1066 .4867 .2395 -.3263 39 THR 39 .3976 999.9900 -.2947 999.9900 .4476 .1835 -.4636 .3646 .0195 .0903 40 VAL 40 -.8680 999.9900 .5873 999.9900 .6959 .1384 .0969 -.5227 -.2645 -.0021 41 ASP 41 -1.0681 -2.0001 999.9900 999.9900 -.1266 -1.0649 .0404 .3540 .2234 -.5601 42 LEU 42 -.0536 .8730 999.9900 999.9900 -1.0998 -.0935 -.4738 .4310 .0540 -.0646 43 LEU 43 -.1897 -1.8410 999.9900 999.9900 -.7775 -.9361 -.7305 .5066 -.0088 -.6064 44 ASP 44 -.6569 -1.7105 999.9900 999.9900 -.1878 -.8517 .2028 .4622 .3541 -.3780 45 TYR 45 .3338 .5297 999.9900 999.9900 -.1498 .2379 .6381 .5766 .6022 .3857 46 SER 46 .2739 999.9900 -.7153 999.9900 .6705 .0763 .5911 .6618 .6323 .2964 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 -.6865 -1.5723 .4791 .5397 .5127 -.5315 48 ARG 48 -.5733 .1897 999.9900 .1593 .5640 .0998 .4435 .5454 .5029 .2126 49 SER 49 -.5771 999.9900 -.7153 999.9900 .5740 -.2395 .1452 .6574 .4440 .0168 50 TRP 50 -1.9511 -.8273 999.9900 999.9900 .7198 -.6862 -.4777 .6816 .1985 -.3710 51 THR 51 -.2319 999.9900 -.8810 999.9900 -1.6680 -.9270 -.3004 .4082 .1130 -.5346 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 .6959 -.1894 -.2331 .4925 .1902 -.0617 53 ARG 53 -.5160 1.0644 999.9900 .1593 -1.7309 -.1728 -.0908 .3682 .1769 -.0838 54 MET 54 -.3503 .5321 999.9900 .9587 -.1136 .2567 .5316 .4879 .5061 .3411 55 LYS 55 -.1665 -2.1617 999.9900 .1140 .2547 -.3691 -.0764 .4800 .2482 -.2060 56 LYS 56 -.3609 .2847 999.9900 -.4035 .6340 -.0498 -3.6681 -.0345 -1.5485 -.5645 57 ARG 57 -1.7561 .8024 999.9900 .6901 .7064 .2266 -.4258 .5730 .1568 .1829 58 GLY 58 -.5999 999.9900 999.9900 999.9900 -.5578 -.5788 -.5355 .6690 .1337 -.2560 59 GLU 59 -.4919 -.2670 999.9900 -1.0323 .5923 -.2998 .2934 .5286 .4306 -.0628 60 LYS 60 -.1867 -1.0359 999.9900 .4996 .7460 .1045 .5103 .4561 .4787 .2127 61 VAL 61 .0429 999.9900 .4980 999.9900 -.3121 .0763 .3701 .6822 .5521 .2562 62 PHE 62 -.2058 .8190 999.9900 999.9900 -1.2178 -.2015 .1262 .4336 .3055 -.0089 63 LEU 63 -.8349 -1.9980 999.9900 999.9900 -3.2047 -2.0125 -.2120 -.0707 -.1296 -1.2641 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .1586 -1.4475 .0027 .3734 .2189 -.7933 65 VAL 65 -.4842 999.9900 -.0276 999.9900 -.5257 -.3458 .3844 .4874 .4445 -.0331 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 -1.3818 -1.6630 -.5463 .5149 .0433 -.8393 67 TRP 67 .4280 .5502 999.9900 999.9900 -.1614 .2723 .1696 .4113 .3106 .2796 68 GLU 68 .3258 -2.8418 999.9900 -1.0323 -2.5035 -1.5130 -.2396 -1.7341 -1.1114 -1.3376 69 ASN 69 1.0488 -1.5725 999.9900 999.9900 .5588 .0117 -.2520 .2354 .0323 .0037 70 PHE 70 1.2230 .5747 999.9900 999.9900 -.5721 .4085 .3786 .5759 .4937 .4360 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .0545 .0073 -.1334 .5499 .2652 .0877 72 LYS 72 .6751 .3679 999.9900 .4996 -1.4057 .1273 .5618 .4783 .5131 .2395 73 ASP 73 .9921 -2.4630 999.9900 999.9900 .9215 -.1832 -.5404 .6141 .1330 -.0952 74 ASN 74 -.6931 -.4258 999.9900 999.9900 .1585 -.3201 .4592 .2233 .3216 -.0556 75 ASN 75 -3.4329 -1.0148 999.9900 999.9900 .1585 -1.4297 -.4284 -.2669 -.3342 -.9969 76 LEU 76 -1.2966 -3.3760 999.9900 999.9900 -1.5756 -2.0827 -1.1922 .0734 -.4540 -1.4734 77 GLU 77 -1.3743 -.3402 999.9900 .3501 .2865 -.2695 -.4811 .4675 .0723 -.1819 78 ASP 78 -.2149 -.9304 999.9900 999.9900 .1337 -.3372 -.3534 .5318 .1629 -.1667 79 GLY 79 -.6631 999.9900 999.9900 999.9900 -.1733 -.4182 .2274 .6542 .4645 .0113 80 LYS 80 -.7292 1.2989 999.9900 .4996 -1.4057 .0326 .3171 .4612 .4012 .1345 81 TYR 81 .5504 .8258 999.9900 999.9900 .7784 .7182 -.4467 .6151 .1727 .4646 82 LEU 82 -.7369 -2.5464 999.9900 999.9900 .4227 -.9535 -.3443 .3449 .0577 -.5720 83 GLN 83 -.3746 -.1712 999.9900 1.3059 .2680 .2570 -.5974 .5223 .0558 .1588 84 PHE 84 -.2255 .9147 999.9900 999.9900 .4513 .3802 -1.4148 .5130 -.2903 .0477 85 ILE 85 .1597 .6227 999.9900 999.9900 .4912 .4245 -.6218 .4880 .0256 .2280 86 TYR 86 .6244 -.2802 999.9900 999.9900 .7393 .3612 .0985 .2370 .1793 .2838 87 ASP 87 -3.3417 -1.1062 999.9900 999.9900 -2.9873 -2.4784 .1391 .6154 .4169 -1.3361 88 ARG 88 -2.9267 -1.7413 999.9900 .1593 -1.3564 -1.1412 .1498 -.6090 -.2929 -.8807 89 ASP 89 -1.6275 -.7325 999.9900 999.9900 .5431 -.6056 -1.9508 -.5718 -1.1464 -.8679 90 ARG 90 -.8806 .7158 999.9900 .1593 .6728 .1653 .1956 .0146 .0900 .1481 91 THR 91 .1937 999.9900 .2916 999.9900 .7246 .4033 -.0028 .2966 .1719 .3007 92 PHE 92 .1032 .1608 999.9900 999.9900 .2815 .1818 -.0715 .6388 .3428 .2225 93 TYR 93 .2641 .2608 999.9900 999.9900 -.4027 .0407 .3439 .3764 .3629 .1685 94 VAL 94 .3116 999.9900 -.2457 999.9900 .4426 .1695 .5850 .6790 .6398 .3545 95 ILE 95 .2866 -.3653 999.9900 999.9900 -.1449 -.0745 .4305 .6649 .5673 .1744 96 ILE 96 -.1408 -3.0500 999.9900 999.9900 .9338 -.7523 -.1351 .4084 .1819 -.3967 97 TYR 97 -.1387 .8463 999.9900 999.9900 -.1498 .1859 -.1303 .5748 .2810 .2004 98 GLY 98 -.8931 999.9900 999.9900 999.9900 .8897 -.0017 .2390 .4736 .3694 .1773 99 HIS 99 -3.0884 -.8163 999.9900 999.9900 -.6493 -1.5180 .0748 .2727 .1902 -.8413 100 ASN 100 -.7903 .2165 999.9900 999.9900 .7518 .0593 .4128 .6723 .5642 .2526 101 MET 101 -.3815 -.2135 999.9900 .9587 .4206 .1961 .0299 .5603 .3393 .2291 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .3947 .4916 .4501 .3387 Means: -.5614 -.3663 -.3178 .1426 -.1658 -.3007 -.1008 .3835 .1808 -.1300 2.00 refined_9