1 ASP 1 999.9900 -.2599 999.9900 999.9900 .2628 .0015 -.0083 .2997 .1597 .0736 2 PRO 2 -3.0630 999.9900 999.9900 999.9900 .5793 -1.2418 .2745 .5698 .4467 -.4099 3 ASN 3 -1.1452 .2165 999.9900 999.9900 -1.3432 -.7573 -2.1970 -.1607 -1.0092 -.9259 4 ALA 4 -2.2766 999.9900 999.9900 999.9900 .5367 -.8699 .1692 .1230 .1422 -.3619 5 GLU 5 .3258 .8332 999.9900 1.7325 .3899 .8203 -.2941 -.5393 -.4371 .4080 6 PHE 6 -1.8235 -.9090 999.9900 999.9900 .4513 -.7604 -.4208 .3640 .0370 -.4676 7 ASP 7 -1.3478 -1.1646 999.9900 999.9900 .5431 -.6564 .6272 .0969 .3178 -.2490 8 PRO 8 -.1156 999.9900 999.9900 999.9900 .6931 .2887 .2367 .3464 .3007 .2901 9 ASP 9 -.9091 -.3515 999.9900 999.9900 .6310 -.2098 -.3049 .4832 .1548 -.0902 10 LEU 10 -.4786 -1.5832 999.9900 999.9900 .3346 -.5757 .3546 .5081 .4441 -.1729 11 PRO 11 .0321 999.9900 999.9900 999.9900 .4949 .2635 .5641 .5757 .5709 .4167 12 GLY 12 1.0314 999.9900 999.9900 999.9900 -.3938 .3188 .5951 .6801 .6423 .4782 13 GLY 13 .6263 999.9900 999.9900 999.9900 -.7584 -.0660 .2878 .5443 .4303 .1750 14 GLY 14 .3894 999.9900 999.9900 999.9900 -.0631 .1632 .0197 .3651 .2116 .1778 15 LEU 15 -3.7702 .5280 999.9900 999.9900 -.3368 -1.1930 -4.9651 -.3384 -2.2662 -1.7765 16 HIS 16 -1.7665 .8438 999.9900 999.9900 -.1902 -.3710 -.8193 -.0996 -.3994 -.4064 17 ARG 17 -.0990 -.4122 999.9900 .1593 -.2445 -.0874 -1.8708 .3071 -.6003 -.2858 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 -.0508 .3518 .1841 .0291 19 LEU 19 .8475 .8730 999.9900 999.9900 .7139 .8115 .2407 .6587 .4846 .6668 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .5367 .2135 .6358 .6494 .6437 .4280 21 CYS 21 -.8048 999.9900 1.2918 999.9900 -.6280 -.0470 .5789 .2280 .3742 .1332 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 .6550 -.7771 .1629 .4415 .3254 -.2375 23 ARG 23 -.5614 1.1781 999.9900 1.4811 -1.7309 .3696 -.1279 .5690 .2786 .3270 24 TYR 24 -.0390 .3309 999.9900 999.9900 .8517 .3812 -1.4667 .2208 -.4823 -.0205 25 PHE 25 .1097 .5589 999.9900 999.9900 -.0962 .1908 -.0232 .5604 .3172 .2219 26 ILE 26 -.3860 -.1544 999.9900 999.9900 .3195 -.0736 .1710 .5555 .3953 .1011 27 ASP 27 -1.2415 -1.6521 999.9900 999.9900 .6856 -.7360 .5477 .4784 .5073 -.2364 28 SER 28 1.0911 999.9900 .3727 999.9900 .3425 .6021 .4337 .4416 .4383 .5363 29 THR 29 1.2375 999.9900 .2916 999.9900 .5164 .6818 .6307 .5984 .6119 .6549 30 ASN 30 1.3908 1.2520 999.9900 999.9900 .1585 .9338 -.2018 .4096 .1549 .6018 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .2381 -.7155 -.5873 .1905 -.1336 -.5087 32 LYS 32 1.0429 .8340 999.9900 1.1526 .1791 .8723 .4641 .6322 .5622 .7797 33 THR 33 .8748 999.9900 1.1473 999.9900 .1092 .7105 .3085 .5403 .4437 .5960 34 HIS 34 .9933 -.2881 999.9900 999.9900 .7352 .4801 .2634 .2673 .2657 .3942 35 PHE 35 -.6709 -.7766 999.9900 999.9900 -.0962 -.5146 .6485 .0366 .2916 -.1717 36 ARG 36 -.0882 .1080 999.9900 .1593 -2.3710 -.4065 .6114 .3588 .4640 -.1518 37 SER 37 -2.7213 999.9900 -.0289 999.9900 -.7427 -1.1643 .0071 .4237 .2501 -.6124 38 LYS 38 .4938 -2.4344 999.9900 .2495 .5595 -.1764 .4168 -.0118 .1668 -.0681 39 ASP 39 1.1285 -1.3328 999.9900 999.9900 .9215 .2391 -.1170 .4521 .2150 .2105 40 HIS 40 .8901 -1.3248 999.9900 999.9900 -.6493 -.3613 -2.3416 .3776 -.7554 -.6096 41 LYS 41 .6780 .6560 999.9900 .3240 -1.0384 .1887 -.9007 .2385 -.2361 .0402 42 LYS 42 1.2214 .4325 999.9900 .9771 .7460 .8708 .3883 .5065 .4573 .7498 43 ARG 43 .8469 -.7463 999.9900 1.6163 .3956 .7458 .5369 .6224 .5868 .6983 44 LEU 44 .6296 .8730 999.9900 999.9900 .2381 .5802 .2034 .6332 .4541 .5155 45 LYS 45 .9451 .0381 999.9900 .6177 -.4892 .3459 .3398 .4697 .4156 .3627 46 GLN 46 .3572 -.1712 999.9900 1.3059 .9038 .5989 .4169 .6641 .5611 .5794 47 LEU 47 .8442 .5315 999.9900 999.9900 -1.8015 -.1419 .0711 .6402 .4031 .0571 48 SER 48 -3.7598 999.9900 .3727 999.9900 -.9994 -1.4622 .1720 .3754 .2906 -.7678 49 VAL 49 .7683 999.9900 .7395 999.9900 -.0367 .4904 .2145 .3832 .3129 .4137 50 GLU 50 -2.3953 .8332 999.9900 -1.0323 .2101 -.5961 .5344 .4661 .4946 -.2306 51 PRO 51 -.5949 999.9900 999.9900 999.9900 -1.6867 -1.1408 .6031 .4171 .4946 -.3154 52 TYR 52 -3.6999 .5582 999.9900 999.9900 -1.3683 -1.5033 -1.6518 .2087 -.5665 -1.1906 53 SER 53 -1.7828 999.9900 .8786 999.9900 -.0193 -.3078 .0392 .4313 .2679 -.0906 54 GLN 54 -3.1236 -.2368 999.9900 1.3059 .5636 -.3727 .4934 -1.3962 -.6089 -.3990 55 GLU 55 -1.2742 .5420 999.9900 -1.0323 -.3220 -.5216 .3065 .2216 .2570 -.2597 56 GLU 56 -3.2255 .7809 999.9900 .3501 -1.0906 -.7963 -.7960 -.5825 -.6714 -.7606 57 ALA 57 -1.7824 999.9900 999.9900 999.9900 .2671 -.7576 -.0074 .1348 .0756 -.3470 58 GLU 58 -1.4945 .6194 999.9900 -1.0323 .3899 -.3794 .4420 .4519 .4477 -.1039 59 ARG 59 -.5160 -.0419 999.9900 .1593 .7064 .0934 .4002 .4631 .4369 .1901 60 ALA 60 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6462 .6335 .6388 .6973 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 .6550 -1.4048 .4059 .2497 .3148 -.5385 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .8897 -1.2983 .4699 .5597 .5198 -.3918 63 MET 63 -2.6662 -.1452 999.9900 .9587 -.8385 -.6728 .3522 .4602 .4152 -.3131 64 GLY 64 -.9395 999.9900 999.9900 999.9900 .5429 -.1983 .3530 .6684 .5282 .1562 65 SER 65 -2.3021 999.9900 -.0289 999.9900 .6235 -.5691 .4374 .5657 .5122 -.1409 66 TYR 66 -.5013 .5582 999.9900 999.9900 .7784 .2784 -.4058 .6398 .2041 .2139 67 VAL 67 999.9900 999.9900 .3968 999.9900 999.9900 .3968 .2037 .5473 .4001 .3826 Means: -.6468 -.0825 .5057 .5839 .0217 -.1046 -.0412 .3407 .1807 -.0033 2.00 refined_20