1 ASP 1 999.9900 -.2599 999.9900 999.9900 .7866 .2634 .3584 .5276 .4507 .3532 2 PRO 2 -5.1268 999.9900 999.9900 999.9900 .7618 -2.1825 .0226 .4011 .2434 -.9853 3 ASN 3 -.9637 -1.2512 999.9900 999.9900 -2.3288 -1.5146 -.0777 .4666 .2398 -.8309 4 ALA 4 -2.2093 999.9900 999.9900 999.9900 -.3587 -1.2840 -.9249 .0153 -.3765 -.8694 5 GLU 5 -1.9096 1.1195 999.9900 -1.0323 .0814 -.4353 -4.9275 .3854 -1.8283 -1.0472 6 PHE 6 -.4041 .9147 999.9900 999.9900 .2172 .2426 -.0639 .5785 .3108 .2485 7 ASP 7 -.1512 -1.2276 999.9900 999.9900 -.0689 -.4825 .5408 .0024 .2267 -.1809 8 PRO 8 -.8137 999.9900 999.9900 999.9900 .4949 -.1594 .0856 .4092 .2744 .0440 9 ASP 9 -.4109 -.7325 999.9900 999.9900 .2628 -.2935 .1799 .5859 .4167 -.0230 10 LEU 10 -.1596 -1.6462 999.9900 999.9900 -3.2047 -1.6702 .5093 .4109 .4519 -.8181 11 PRO 11 -2.6417 999.9900 999.9900 999.9900 .2426 -1.1996 -.0047 -.2208 -.1308 -.6562 12 GLY 12 -2.6716 999.9900 999.9900 999.9900 -.0631 -1.3673 .1483 .5713 .3833 -.5037 13 GLY 13 -.1327 999.9900 999.9900 999.9900 -1.7465 -.9396 .5255 .4764 .4982 -.2193 14 GLY 14 .3568 999.9900 999.9900 999.9900 -.0291 .1639 .2461 .6144 .4507 .2971 15 LEU 15 -1.4213 .8847 999.9900 999.9900 .3346 -.0673 .2091 .4913 .3737 .0997 16 HIS 16 -.6701 1.1064 999.9900 999.9900 .4328 .2897 -.3666 .3802 .0690 .1765 17 ARG 17 -.3294 -2.8571 999.9900 1.0776 -2.3710 -.6805 -1.0177 .1795 -.3193 -.6058 18 CYS 18 -.0920 999.9900 .8629 999.9900 -.6280 .0476 -.4127 -.0751 -.2158 -.0690 19 LEU 19 .6509 -1.4996 999.9900 999.9900 .4504 -.1328 .0463 .4160 .2619 .0128 20 ALA 20 .3573 999.9900 999.9900 999.9900 .2908 .3241 .6230 .6126 .6169 .4709 21 CYS 21 -1.1459 999.9900 1.2918 999.9900 .5249 .2236 .2731 .2731 .2731 .2434 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.8374 -1.2813 .2052 .4857 .3688 -.4679 23 ARG 23 -.1872 -.0184 999.9900 1.0856 -.5739 .2783 -.5821 .5763 .0936 .1980 24 TYR 24 .4043 -.6802 999.9900 999.9900 .6984 .1408 -1.2314 .4320 -.2611 -.0754 25 PHE 25 -.2255 -1.6624 999.9900 999.9900 .1482 -.5799 .3695 .1185 .2230 -.2503 26 ILE 26 .4667 -.4893 999.9900 999.9900 .4912 .1562 .5380 .3842 .4483 .2782 27 ASP 27 -.5058 -2.0928 999.9900 999.9900 -1.3622 -1.3203 .6289 .5540 .5852 -.5556 28 SER 28 .7489 999.9900 -.0289 999.9900 -.0193 .2336 .4453 .4963 .4751 .3285 29 THR 29 .7717 999.9900 .4804 999.9900 -1.6680 -.1386 .5158 .5326 .5256 .1265 30 ASN 30 1.3908 -.4258 999.9900 999.9900 -1.7070 -.2473 .5226 .5463 .5364 .0654 31 LEU 31 .2902 -1.5262 999.9900 999.9900 .4774 -.2528 -.6036 .4499 .0109 -.1825 32 LYS 32 1.0429 -2.9005 999.9900 .7184 .2547 -.0332 .2457 .4035 .3377 .0690 33 THR 33 .9379 999.9900 -.8810 999.9900 -.1184 -.0205 .4424 .6067 .5383 .1975 34 HIS 34 .9933 -.1773 999.9900 999.9900 .7352 .5171 -.1324 .4403 .2017 .3718 35 PHE 35 -.3794 -.0015 999.9900 999.9900 .5495 .0562 .6409 .0517 .2972 .1722 36 ARG 36 -.1045 1.1781 999.9900 .1593 -.0761 .2632 .5918 .5113 .5449 .3456 37 SER 37 -2.4175 999.9900 .6576 999.9900 -.2435 -.6678 -.0661 .4658 .2442 -.3207 38 LYS 38 .9480 -1.8181 999.9900 .3546 .7669 .1212 .3678 .1966 .2679 .1672 39 ASP 39 .9343 -.7325 999.9900 999.9900 .4469 .2162 .1803 .6182 .4358 .2894 40 HIS 40 .6603 -1.3248 999.9900 999.9900 -.6493 -.4379 -1.4693 .5325 -.3016 -.4501 41 LYS 41 .6780 1.0637 999.9900 .3240 -2.0338 .0712 -.0218 .1699 .0900 .0720 42 LYS 42 1.0838 .4325 999.9900 .3240 .5850 .5499 .5416 .6296 .5929 .5601 43 ARG 43 .9556 -1.1343 999.9900 .1593 -1.3564 -.2433 .3260 .3234 .3245 -.0810 44 LEU 44 .8442 .5280 999.9900 999.9900 .4774 .6165 .3376 .4813 .4214 .5337 45 LYS 45 .6780 -.4541 999.9900 .4411 -.4892 .1234 .4982 .3598 .4175 .2107 46 GLN 46 .7370 .2115 999.9900 1.3059 -.0576 .5492 .6858 .5002 .5776 .5638 47 LEU 47 -.2213 .5655 999.9900 999.9900 .7348 .3596 .0676 .5194 .3311 .3332 48 SER 48 .1050 999.9900 -.7153 999.9900 .6705 .0200 .4938 .6148 .5644 .2338 49 VAL 49 1.0462 999.9900 -.2457 999.9900 -.1376 .2210 .0296 .5375 .3259 .2460 50 GLU 50 -.7937 -.3402 999.9900 -1.0323 -.1867 -.5882 .2350 .2830 .2630 -.3058 51 PRO 51 -3.2630 999.9900 999.9900 999.9900 .9143 -1.1744 -.0290 .1887 .0980 -.5473 52 TYR 52 -2.5417 .8492 999.9900 999.9900 .2066 -.4953 -.5735 .3050 -.0610 -.3509 53 SER 53 -2.7213 999.9900 -.0289 999.9900 -.0193 -.9231 -.0342 .4800 .2658 -.4647 54 GLN 54 -3.1236 .6267 999.9900 1.3059 .7486 -.1106 -1.6299 .0604 -.6439 -.3353 55 GLU 55 -.7734 .8332 999.9900 -1.0323 .2865 -.1715 .3748 .3449 .3573 .0056 56 GLU 56 -1.3222 -2.8418 999.9900 -1.0323 .3899 -1.2016 .1581 -.0128 .0584 -.7769 57 ALA 57 -1.9992 999.9900 999.9900 999.9900 .0212 -.9890 .0747 .6371 .4028 -.3165 58 GLU 58 .0765 -.5578 999.9900 -1.0323 .6424 -.2178 .4814 .4091 .4392 .0032 59 ARG 59 -1.3391 -.2334 999.9900 .1593 .8581 -.0792 -.0320 .4435 .2454 .0022 60 ALA 60 -2.4409 999.9900 999.9900 999.9900 .2671 -1.0869 .0931 .4562 .3049 -.4061 61 ALA 61 -3.0686 999.9900 999.9900 999.9900 .2428 -1.4129 -.0019 .3424 .1989 -.6214 62 GLY 62 -2.4582 999.9900 999.9900 999.9900 .7185 -.8698 .2060 .6312 .4422 -.2256 63 MET 63 -1.9811 -1.7864 999.9900 .9587 .5203 -.5721 .0124 .2436 .1473 -.3388 64 GLY 64 -2.0431 999.9900 999.9900 999.9900 .7185 -.6623 -.9372 .4822 -.1486 -.4449 65 SER 65 .1980 999.9900 .8786 999.9900 .5991 .5586 -.5717 .4584 .0292 .3125 66 TYR 66 .6244 -.4641 999.9900 999.9900 .5127 .2243 -.8638 .4349 -.1062 .0488 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 .0958 .0333 .0601 -.3166 Means: -.5986 -.5079 .1084 .2863 -.0420 -.2526 -.0378 .3904 .2111 -.0853 2.00 refined_7