1 ASP 1 999.9900 -1.3328 999.9900 999.9900 -1.0225 -1.1776 .3280 .2039 .2603 -.4558 2 PRO 2 .5449 999.9900 999.9900 999.9900 .7618 .6534 .4557 .5826 .5298 .5863 3 ASN 3 1.1272 .1235 999.9900 999.9900 .5940 .6149 .6206 .4499 .5210 .5831 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .3365 -1.5640 .4483 .0745 .2303 -.6513 5 GLU 5 -.1289 -.4584 999.9900 -1.0323 .4526 -.2917 -.2855 .2306 .0155 -.2036 6 PHE 6 -2.5364 -.4925 999.9900 999.9900 .5495 -.8265 .2361 .3592 .3079 -.3768 7 ASP 7 .0214 -1.2276 999.9900 999.9900 .5431 -.2210 .6780 .3924 .5114 .0815 8 PRO 8 .0709 999.9900 999.9900 999.9900 .2426 .1568 .4948 .3490 .4098 .2893 9 ASP 9 .9921 -.5889 999.9900 999.9900 .5733 .3255 -.0204 .4805 .2718 .2873 10 LEU 10 -.1991 -1.1684 999.9900 999.9900 .7949 -.1908 .3861 .5135 .4604 .0654 11 PRO 11 -.7236 999.9900 999.9900 999.9900 .7944 .0354 .5268 .3969 .4510 .2486 12 GLY 12 .8874 999.9900 999.9900 999.9900 .7883 .8378 .3050 .6096 .4743 .6476 13 GLY 13 1.0314 999.9900 999.9900 999.9900 -.5578 .2368 .3930 .5784 .4960 .3613 14 GLY 14 1.0314 999.9900 999.9900 999.9900 .0351 .5333 .3526 .6244 .5036 .5109 15 LEU 15 -.8032 .8730 999.9900 999.9900 -.3368 -.0890 -.0843 .6816 .3625 .0661 16 HIS 16 -1.9498 1.3140 999.9900 999.9900 .6686 .0109 -1.0443 .3205 -.2482 -.1382 17 ARG 17 -.0671 -2.0954 999.9900 1.6274 -2.3710 -.2558 -.9537 .5532 -.0746 -.2399 18 CYS 18 .0411 999.9900 .1296 999.9900 .0994 .0900 .1501 .3303 .2552 .1501 19 LEU 19 1.1349 .5315 999.9900 999.9900 .7753 .8139 .1192 .4765 .3276 .6075 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .9520 .4212 .5944 .6191 .6088 .5140 21 CYS 21 -.9252 999.9900 .1296 999.9900 .8268 .0104 .5524 .4144 .4719 .1996 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.0434 -1.1264 .5103 .5312 .5225 -.3028 23 ARG 23 -.6502 .1897 999.9900 .1593 .6017 .0920 -.9636 .4515 -.1382 -.0075 24 TYR 24 .0406 .4149 999.9900 999.9900 .1301 .1952 -.9019 .1858 -.2674 -.0261 25 PHE 25 .1161 .5589 999.9900 999.9900 -1.2178 -.1809 .3393 .5729 .4756 .0739 26 ILE 26 -.4094 -.1544 999.9900 999.9900 .8537 .0966 .3605 .5911 .4950 .2483 27 ASP 27 -1.2415 -.5059 999.9900 999.9900 .9215 -.2753 .0811 .5238 .3394 -.0442 28 SER 28 .8349 999.9900 -.0289 999.9900 .6931 .4997 .5252 .3206 .4059 .4690 29 THR 29 .8748 999.9900 -.8810 999.9900 .1092 .0343 .4636 .5595 .5196 .2252 30 ASN 30 1.0488 -.2921 999.9900 999.9900 .3587 .3718 -.2592 .5565 .2166 .2825 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .4774 -.6358 -.3389 -.0240 -.1552 -.4540 32 LYS 32 1.0429 1.1488 999.9900 1.4762 .2547 1.0798 .5194 .5838 .5569 .9289 33 THR 33 .8748 999.9900 .0483 999.9900 -.1184 .2682 .6131 .6087 .6105 .4053 34 HIS 34 .4792 -2.4183 999.9900 999.9900 .3381 -.5337 .1548 .4456 .3245 -.2001 35 PHE 35 -.3794 -.0015 999.9900 999.9900 .2172 -.0546 .2370 -.2555 -.0503 -.0364 36 ARG 36 -.6641 .1080 999.9900 .1593 -2.3710 -.5217 .4986 .2342 .3443 -.2680 37 SER 37 -3.7598 999.9900 .6576 999.9900 -.1244 -1.0755 -.3513 .2458 -.0030 -.6664 38 LYS 38 .4938 -1.9682 999.9900 -.4035 .0060 -.4551 .4247 .3741 .3952 -.2109 39 ASP 39 1.1285 -1.3328 999.9900 999.9900 .5431 .1130 -.1143 .4448 .2118 .1339 40 HIS 40 .8901 -.7214 999.9900 999.9900 .6686 .2791 -2.4599 .4216 -.7791 -.2402 41 LYS 41 .6780 .7798 999.9900 .3240 -2.6618 -.1112 -.3961 -.4654 -.4365 -.2025 42 LYS 42 .9451 -.7357 999.9900 .7677 .0060 .3502 .6635 .3691 .4918 .3976 43 ARG 43 .9556 -.8531 999.9900 .1593 .4407 .1724 .4938 .3770 .4256 .2475 44 LEU 44 .8442 -.8335 999.9900 999.9900 -.4635 -.1509 .4590 .5385 .5053 .1089 45 LYS 45 1.0838 1.2989 999.9900 .2495 .8827 .7529 .5743 .4682 .5124 .6867 46 GLN 46 .9732 .5350 999.9900 1.3059 .1188 .7332 .3714 .6635 .5418 .6613 47 LEU 47 1.1349 -1.4036 999.9900 999.9900 -.6084 -.2924 .3603 .3753 .3691 -.0283 48 SER 48 .2458 999.9900 .3727 999.9900 .7151 .4446 .4386 .5877 .5256 .4720 49 VAL 49 -1.8566 999.9900 .3968 999.9900 -.4490 -.6363 .2595 .6920 .5118 -.1915 50 GLU 50 -.5863 .6231 999.9900 -1.0323 -2.5035 -.8748 .3257 .3742 .3540 -.4665 51 PRO 51 .1879 999.9900 999.9900 999.9900 .9143 .5511 -.0550 .5457 .2954 .3982 52 TYR 52 -1.0108 .8376 999.9900 999.9900 -.1498 -.1077 .3411 .5052 .4368 .1046 53 SER 53 -1.4109 999.9900 -.0289 999.9900 -1.1621 -.8673 -.9102 .1565 -.2880 -.6711 54 GLN 54 -2.3919 -1.3908 999.9900 1.3059 -.0576 -.6336 -.9075 -.1305 -.4542 -.5954 55 GLU 55 -1.6894 .7809 999.9900 -1.0323 -.7952 -.6840 -.7223 .2878 -.1330 -.5284 56 GLU 56 -1.6894 .6653 999.9900 .3501 .1264 -.1369 .1912 .1559 .1706 -.0334 57 ALA 57 -1.6032 999.9900 999.9900 999.9900 -.6283 -1.1158 -.1124 .6185 .3140 -.4314 58 GLU 58 -.6726 1.1195 999.9900 -1.0323 .3223 -.0658 -.0098 .3139 .1790 .0068 59 ARG 59 -1.5415 .8024 999.9900 .9503 .7064 .3736 -.1285 .4144 .1882 .3077 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .3801 -1.5422 .4524 .5774 .5253 -.5137 61 ALA 61 -3.0686 999.9900 999.9900 999.9900 .4617 -1.3035 -.3142 .2113 -.0077 -.6775 62 GLY 62 -2.4582 999.9900 999.9900 999.9900 .7039 -.8771 -.8987 .6394 -.0442 -.5034 63 MET 63 -1.4527 .5321 999.9900 .9587 .8447 .2207 -.4743 .6408 .1762 .1749 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7185 -1.3839 -.6966 .6176 .0335 -.7117 65 SER 65 -.3328 999.9900 .3727 999.9900 .1994 .0798 -.0143 .6085 .3490 .1667 66 TYR 66 -1.0108 -.3906 999.9900 999.9900 .7393 -.2207 -.3952 .4719 .1106 -.1171 67 VAL 67 999.9900 999.9900 -.2457 999.9900 999.9900 -.2457 -.7208 -1.7922 -1.3330 -.9196 Means: -.4185 -.2562 .0839 .3832 .1000 -.0922 .0330 .3892 .2400 .0225 2.00 refined_18