1 ASP 1 999.9900 -2.1980 999.9900 999.9900 .5431 -.8274 .4883 .2123 .3377 -.2386 2 PRO 2 .6201 999.9900 999.9900 999.9900 .6188 .6195 .5295 .4180 .4645 .5466 3 ASN 3 .4497 -.3237 999.9900 999.9900 .5940 .2400 .3531 -.3183 -.0385 .1510 4 ALA 4 -1.6489 999.9900 999.9900 999.9900 .4419 -.6035 -.7882 .2706 -.1706 -.4311 5 GLU 5 -.6163 -.7564 999.9900 -1.0323 -.6780 -.7707 -1.6828 .3511 -.4964 -.7358 6 PHE 6 -.4973 -.3078 999.9900 999.9900 -.4285 -.4112 -.4081 .6244 .1942 -.2035 7 ASP 7 -.4515 -1.0010 999.9900 999.9900 .6026 -.2833 .5288 -.0809 .1732 -.0804 8 PRO 8 -.8137 999.9900 999.9900 999.9900 .4496 -.1820 .4628 .6083 .5477 .1768 9 ASP 9 -.0867 -.3515 999.9900 999.9900 -.1878 -.2086 .4435 .5613 .5122 .0758 10 LEU 10 -.4065 -1.9410 999.9900 999.9900 .7949 -.5175 .2783 .0795 .1624 -.2389 11 PRO 11 -.2296 999.9900 999.9900 999.9900 .2426 .0065 .4845 .5381 .5158 .2589 12 GLY 12 1.0529 999.9900 999.9900 999.9900 -.1733 .4398 .2979 .6088 .4706 .4466 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.6865 .0652 -.0903 .5669 .2748 .1518 14 GLY 14 1.1448 999.9900 999.9900 999.9900 .6890 .9169 .3875 .5702 .4890 .6979 15 LEU 15 -1.0430 .8730 999.9900 999.9900 -.6084 -.2594 .1501 .6777 .4578 .0099 16 HIS 16 -1.4902 1.1761 999.9900 999.9900 .4328 .0395 -.9130 .4283 -.1306 -.0732 17 ARG 17 -.6367 -1.1946 999.9900 1.0856 -.0761 .0527 -.1423 .5424 .2571 .0948 18 CYS 18 -.0684 999.9900 .1296 999.9900 -.0920 -.0102 -.3571 .3526 .0569 -.0070 19 LEU 19 .6509 .8730 999.9900 999.9900 .8331 .7857 .3086 .6473 .5062 .6626 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .8416 .3660 .6403 .6319 .6354 .5010 21 CYS 21 -.9252 999.9900 .1296 999.9900 .2612 -.1781 .5172 .4888 .5006 .0943 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 .1657 -.7798 .5924 .4447 .5062 -.1306 23 ARG 23 -.6502 .1897 999.9900 .9503 -.0022 .2876 -.3587 .5393 .1651 .2312 24 TYR 24 .0406 .8258 999.9900 999.9900 -.4027 .1546 -.5914 -.0262 -.2617 -.0308 25 PHE 25 .1097 .5589 999.9900 999.9900 -.3041 .1215 .4881 .6042 .5558 .2913 26 ILE 26 .7069 .2838 999.9900 999.9900 -2.1444 -.3846 -.1163 .3084 .1314 -.1923 27 ASP 27 -.9091 -.5059 999.9900 999.9900 .8336 -.1938 .1028 .4694 .3167 -.0018 28 SER 28 .8760 999.9900 1.3441 999.9900 -.0193 .7336 .2726 .4812 .3943 .5909 29 THR 29 1.1372 999.9900 .9776 999.9900 .9813 1.0320 .5490 .6526 .6095 .8595 30 ASN 30 1.3908 .3924 999.9900 999.9900 .4442 .7425 .1083 .6082 .3999 .5888 31 LEU 31 .9913 -2.9612 999.9900 999.9900 -.0758 -.6819 -.4176 .1023 -.1143 -.4722 32 LYS 32 1.0429 .7020 999.9900 .3240 .2547 .5295 .5729 .6044 .5913 .5464 33 THR 33 .8748 999.9900 .7650 999.9900 .6695 .7698 .4538 .5619 .5169 .6650 34 HIS 34 .9933 .8055 999.9900 999.9900 .5967 .7985 .0086 .3251 .1932 .5458 35 PHE 35 -.4427 -1.0405 999.9900 999.9900 -1.2178 -.9003 .4855 -.8605 -.2997 -.6152 36 ARG 36 -1.3837 -.0419 999.9900 1.4811 -1.3564 .0360 .0791 .4178 .2767 .0967 37 SER 37 -1.9635 999.9900 -.7153 999.9900 -2.5979 -1.7589 -.4227 .3230 .0123 -1.0753 38 LYS 38 .2805 .0381 999.9900 .9312 -1.4057 .1551 .5559 .3541 .4382 .2408 39 ASP 39 .8349 -.2599 999.9900 999.9900 .1337 .2363 .1530 .6409 .4376 .3005 40 HIS 40 .6603 -.8163 999.9900 999.9900 -1.6368 -.5976 -1.1478 .5307 -.1687 -.4820 41 LYS 41 .6780 .6560 999.9900 .3240 -.8987 .2167 -.0735 .2333 .1055 .1776 42 LYS 42 1.0838 .4325 999.9900 .1140 .5850 .4659 .4481 .3318 .3803 .4442 43 ARG 43 .6655 -.7463 999.9900 .1593 .3956 .1267 .2921 .6461 .4986 .2245 44 LEU 44 .8442 .8730 999.9900 999.9900 .2381 .6518 .3747 .6549 .5382 .5970 45 LYS 45 1.0838 .8340 999.9900 .9443 .5850 .8783 .0887 .6254 .4017 .7294 46 GLN 46 .9732 -1.0871 999.9900 1.3059 .7055 .4744 -.0198 -.8368 -.4964 .1735 47 LEU 47 1.1349 .5315 999.9900 999.9900 -1.0998 .1889 .6315 .3426 .4630 .3081 48 SER 48 -3.7598 999.9900 -.0289 999.9900 -.0193 -1.2693 .0594 .1430 .1081 -.7211 49 VAL 49 -2.3041 999.9900 .5873 999.9900 -.0367 -.5845 .1039 .5976 .3919 -.2104 50 GLU 50 -1.2516 .6046 999.9900 1.1588 -.3984 .0283 .3853 .2855 .3271 .1307 51 PRO 51 .1514 999.9900 999.9900 999.9900 -.6674 -.2580 .3865 .6277 .5272 .1245 52 TYR 52 -.8045 -.5304 999.9900 999.9900 .1301 -.4016 -.4268 .6033 .1741 -.2057 53 SER 53 -.4678 999.9900 -.7153 999.9900 -.3096 -.4976 -1.6517 .1628 -.5932 -.5963 54 GLN 54 -2.3919 .6315 999.9900 1.3059 .0346 -.1050 -.8854 -.3648 -.5817 -.2784 55 GLU 55 -2.3953 .7809 999.9900 -1.0323 -2.5035 -1.2876 -.5941 -.6754 -.6415 -1.0700 56 GLU 56 -1.6450 .6046 999.9900 -1.0323 .2491 -.4559 -1.3329 .3487 -.3519 -.4679 57 ALA 57 -.7637 999.9900 999.9900 999.9900 -.0105 -.3871 -.4552 .1197 -.1198 -.2774 58 GLU 58 -1.6894 .4305 999.9900 -1.0323 -.3220 -.6533 .3552 .6228 .5113 -.2725 59 ARG 59 -1.6758 .8024 999.9900 2.1108 .5247 .7746 .3838 .2693 .3170 .6466 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 -.4068 -1.9357 .5370 -.3552 .0165 -.9224 61 ALA 61 -1.9568 999.9900 999.9900 999.9900 .9520 -.5024 -.2714 .3508 .0916 -.2313 62 GLY 62 -3.4864 999.9900 999.9900 999.9900 .2782 -1.6041 -.2956 .6136 .2095 -.7225 63 MET 63 -.6588 -.2135 999.9900 .9587 -.1136 -.0068 .1161 .5106 .3462 .0999 64 GLY 64 -1.4779 999.9900 999.9900 999.9900 .5429 -.4675 -.0985 .5613 .2681 -.1180 65 SER 65 .2908 999.9900 -.7153 999.9900 -.0193 -.1479 .2147 .5919 .4347 .0726 66 TYR 66 -.5013 .8463 999.9900 999.9900 .7784 .3744 -1.9821 .6499 -.4468 -.0418 67 VAL 67 999.9900 999.9900 .8055 999.9900 999.9900 .8055 .1313 .4998 .3419 .4789 Means: -.3879 -.0373 .2331 .6232 -.0527 -.0484 -.0124 .3530 .1999 .0380 2.00 refined_7