1 ASP 1 999.9900 -1.2611 999.9900 999.9900 -.7687 -1.0149 .4365 .5741 .5116 -.2548 2 PRO 2 -3.0630 999.9900 999.9900 999.9900 .7618 -1.1506 .4478 .5277 .4944 -.3314 3 ASN 3 -.9637 -.3237 999.9900 999.9900 .2129 -.3582 .1532 .4540 .3286 -.0935 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 -.6283 -2.0465 -.7622 .3713 -.1010 -1.1210 5 GLU 5 -.6897 .7809 999.9900 -1.0323 -2.5035 -.8612 .1273 .0034 .0550 -.5523 6 PHE 6 -1.0508 -.6308 999.9900 999.9900 -.0075 -.5630 .1276 .3270 .2439 -.2469 7 ASP 7 -.0277 -1.1646 999.9900 999.9900 .0868 -.3685 .5787 .1947 .3547 -.0664 8 PRO 8 -1.4874 999.9900 999.9900 999.9900 .6931 -.3972 .4790 .6037 .5518 .0721 9 ASP 9 -.0867 -1.6521 999.9900 999.9900 -1.1781 -.9723 .4293 .3626 .3904 -.4250 10 LEU 10 -1.3299 -.1374 999.9900 999.9900 -3.2047 -1.5573 .3240 .2922 .3055 -.8112 11 PRO 11 -5.1268 999.9900 999.9900 999.9900 -.4005 -2.7637 -.1383 -.8080 -.5290 -1.6184 12 GLY 12 -2.6716 999.9900 999.9900 999.9900 .8277 -.9219 .2559 .6071 .4510 -.2452 13 GLY 13 .3568 999.9900 999.9900 999.9900 -1.0172 -.3302 -.0035 .4738 .2617 -.0475 14 GLY 14 -.1011 999.9900 999.9900 999.9900 -.3452 -.2231 .5636 .5923 .5795 .1774 15 LEU 15 -.8188 -1.9410 999.9900 999.9900 .1315 -.8761 .2544 -.0765 .0614 -.4901 16 HIS 16 -1.9498 1.2411 999.9900 999.9900 .9611 .0841 -1.3748 -.4231 -.8196 -.3091 17 ARG 17 -1.2588 -1.2607 999.9900 .1593 .1299 -.4142 -.3233 .5386 .1795 -.2651 18 CYS 18 -.0684 999.9900 .1296 999.9900 -.3261 -.0883 -.1574 .4355 .1884 .0026 19 LEU 19 .8475 -2.1315 999.9900 999.9900 .7753 -.1696 .4297 .6160 .5384 .1074 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .4012 .1449 .6436 .6240 .6322 .3894 21 CYS 21 -.8048 999.9900 .1296 999.9900 -.3261 -.3338 .3283 .3056 .3150 -.0735 22 ALA 22 -3.4646 999.9900 999.9900 999.9900 .5367 -1.4640 .1139 .3225 .2356 -.6229 23 ARG 23 -.5733 1.1781 999.9900 .7862 -2.3710 -.0388 -.6220 .1477 -.1730 -.0955 24 TYR 24 .0406 -.6481 999.9900 999.9900 .6556 .0160 -.6705 .0018 -.2783 -.1241 25 PHE 25 .1097 .5589 999.9900 999.9900 -.9498 -.0937 .3983 .5639 .4949 .1362 26 ILE 26 .7069 -2.2551 999.9900 999.9900 -.3927 -.6470 -.2507 .4657 .1672 -.3452 27 ASP 27 -1.2094 -.9533 999.9900 999.9900 -.2530 -.8052 -.2812 .2162 .0089 -.4961 28 SER 28 1.0911 999.9900 .6576 999.9900 -.0193 .5765 .1793 .4908 .3610 .4799 29 THR 29 .8703 999.9900 .7650 999.9900 .7766 .8040 .0318 .3620 .2244 .5611 30 ASN 30 1.1272 .3924 999.9900 999.9900 .9106 .8101 .2534 .5403 .4208 .6448 31 LEU 31 .8182 -3.3760 999.9900 999.9900 .4504 -.7024 -.4726 .0479 -.1690 -.5064 32 LYS 32 1.2214 .8340 999.9900 .6506 .5062 .7726 .5711 .5900 .5821 .7177 33 THR 33 .8748 999.9900 .4804 999.9900 -.1184 .4123 .4609 .5252 .4984 .4446 34 HIS 34 .4792 -1.3248 999.9900 999.9900 -.1902 -.3453 .2073 .2151 .2118 -.1227 35 PHE 35 -.6709 -.7766 999.9900 999.9900 -.0075 -.4850 .4561 -.1027 .1301 -.2203 36 ARG 36 -.4248 1.0644 999.9900 .1593 -2.3710 -.2826 .2302 .3756 .3150 -.1153 37 SER 37 -2.3021 999.9900 -.7153 999.9900 -.1244 -1.0473 -.3057 .4351 .1264 -.6025 38 LYS 38 1.0429 .1550 999.9900 .5131 .3573 .5163 .6055 .6347 .6225 .5460 39 ASP 39 1.1359 -1.3328 999.9900 999.9900 .0868 -.0367 .0491 .5900 .3646 .1058 40 HIS 40 1.4298 -.8163 999.9900 999.9900 .1122 .2419 -3.0917 .2743 -1.1282 -.4183 41 LYS 41 .6780 1.0637 999.9900 .6177 -2.6618 .0631 -.7877 -.1347 -.4068 -.0867 42 LYS 42 1.0838 .3079 999.9900 .3240 .2547 .4589 .5303 .3941 .4509 .4598 43 ARG 43 .6041 -.4329 999.9900 .1593 .5640 .2108 .4597 .5476 .5110 .2945 44 LEU 44 .6509 .8847 999.9900 999.9900 .0933 .5430 .2922 .6108 .4780 .5064 45 LYS 45 .6780 1.1488 999.9900 -.4035 -.2082 .1623 .5989 .5735 .5841 .2834 46 GLN 46 -.3431 .5127 999.9900 3.6599 .0346 .9660 .5491 .5185 .5313 .8219 47 LEU 47 -.3493 .8847 999.9900 999.9900 .4774 .3376 -.0952 .4533 .2247 .2742 48 SER 48 -1.6374 999.9900 .6576 999.9900 -2.5979 -1.1925 .2297 .6043 .4482 -.5487 49 VAL 49 -3.0988 999.9900 -.2457 999.9900 -1.5772 -1.6406 .3309 .5700 .4704 -.8042 50 GLU 50 -.6163 -.4584 999.9900 -1.0323 .3899 -.4293 .4486 .4361 .4413 -.1387 51 PRO 51 -.7236 999.9900 999.9900 999.9900 .1187 -.3024 .5880 .6817 .6427 .1662 52 TYR 52 -.0710 -.5304 999.9900 999.9900 -.2672 -.2895 .1001 -.0452 .0153 -.1627 53 SER 53 .1178 999.9900 -.0289 999.9900 .6235 .2375 .6040 .5977 .6004 .3828 54 GLN 54 -3.1236 .6315 999.9900 1.3059 .6605 -.1315 -.5015 -.2614 -.3615 -.2148 55 GLU 55 -3.2255 -2.8418 999.9900 -1.0323 -.3984 -1.8745 -.1722 -.2060 -.1919 -1.3127 56 GLU 56 .8733 .7809 999.9900 -1.0323 -1.8950 -.3183 .1116 -.3596 -.1633 -.2535 57 ALA 57 -2.0449 999.9900 999.9900 999.9900 -.9190 -1.4820 -.6138 -.2140 -.3806 -.9479 58 GLU 58 .5470 -.2267 999.9900 -1.0323 .0814 -.1577 .4231 .4200 .4213 .0354 59 ARG 59 -2.9267 1.0644 999.9900 1.3960 -.1565 .1546 .5995 .2784 .4122 .2359 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .3801 -1.5422 .2934 .1255 .1954 -.6664 61 ALA 61 .6496 999.9900 999.9900 999.9900 .8152 .7324 -.0833 .5770 .3019 .4897 62 GLY 62 -.8286 999.9900 999.9900 999.9900 .0036 -.4125 -1.5962 .6284 -.3603 -.4482 63 MET 63 -2.6662 .5321 999.9900 .9587 -.8385 -.5035 .0436 .4608 .2870 -.2516 64 GLY 64 -2.0431 999.9900 999.9900 999.9900 .0351 -1.0040 -.6242 .6914 .1067 -.4852 65 SER 65 -.5560 999.9900 .3727 999.9900 .9098 .2422 .2139 .5284 .3973 .2938 66 TYR 66 -.2520 .4960 999.9900 999.9900 .6556 .2999 -1.9326 .1794 -.7006 -.1707 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 .2894 -.0940 .0703 -.2945 Means: -.6716 -.2918 .1022 .3388 -.2053 -.2775 .0175 .3224 .1947 -.1036 2.00 refined_8