1 ASP 1 999.9900 -.5889 999.9900 999.9900 -1.0225 -.8057 .3597 .5970 .4892 -.1637 2 PRO 2 .1313 999.9900 999.9900 999.9900 .2426 .1870 .6525 .5021 .5648 .3821 3 ASN 3 .1528 -1.5725 999.9900 999.9900 -2.3288 -1.2495 .3681 .3126 .3358 -.6135 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .3801 -1.5422 .5356 .2602 .3750 -.5722 5 GLU 5 -.1289 -.3402 999.9900 1.7325 -.4821 .1953 -.1200 .4862 .2336 .1913 6 PHE 6 -.3437 .1164 999.9900 999.9900 -.5721 -.2665 -.0169 .4978 .2833 -.0637 7 ASP 7 -.1788 -1.4542 999.9900 999.9900 -.8877 -.8402 .4646 .2623 .3466 -.3588 8 PRO 8 -.5342 999.9900 999.9900 999.9900 .4021 -.0661 .2132 .6233 .4524 .1761 9 ASP 9 -.0867 -.2599 999.9900 999.9900 .0375 -.1030 .0602 .6155 .3842 .0733 10 LEU 10 -.2181 .8847 999.9900 999.9900 .7949 .4872 .6081 .5967 .6014 .5333 11 PRO 11 -.7236 999.9900 999.9900 999.9900 .6188 -.0524 .6118 .4784 .5340 .2463 12 GLY 12 .8874 999.9900 999.9900 999.9900 .8277 .8575 .5291 .6067 .5722 .7127 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.5578 .1296 .6082 .5845 .5951 .3630 14 GLY 14 .8169 999.9900 999.9900 999.9900 -.5578 .1296 .5086 .6144 .5674 .3455 15 LEU 15 -.7230 .8730 999.9900 999.9900 .2713 .1404 -.0876 .6785 .3593 .2025 16 HIS 16 -1.0475 .8438 999.9900 999.9900 .1122 -.0305 -2.9002 .0435 -1.1830 -.5896 17 ARG 17 -.2757 -.1588 999.9900 .1593 -2.3710 -.4974 -2.6980 .5888 -.7807 -.6566 18 CYS 18 .0411 999.9900 .1296 999.9900 -1.7809 -.5367 -.3093 -.0006 -.1292 -.3840 19 LEU 19 .9913 .8730 999.9900 999.9900 .5787 .8143 .6200 .5921 .6037 .7310 20 ALA 20 .3573 999.9900 999.9900 999.9900 .6227 .4900 .6877 .6492 .6652 .5792 21 CYS 21 -.1164 999.9900 .8629 999.9900 1.1923 .6463 .5365 .4062 .4605 .5763 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.0105 -.8679 .4345 .4499 .4435 -.2128 23 ARG 23 -.6502 .1897 999.9900 .5548 -.5739 .0150 -.1706 .6038 .2811 .0726 24 TYR 24 -.0390 .3309 999.9900 999.9900 .7784 .3568 -.5955 .3904 -.0204 .1730 25 PHE 25 .1097 .5589 999.9900 999.9900 -.0962 .1908 .1863 .6141 .4359 .2746 26 ILE 26 -.4094 -.1544 999.9900 999.9900 .7362 .0574 .2921 .5805 .4603 .2090 27 ASP 27 -.5058 -2.0928 999.9900 999.9900 .5431 -.6852 .2287 .4344 .3487 -.2785 28 SER 28 .7489 999.9900 -.0289 999.9900 .9098 .5433 .4005 .5758 .5028 .5212 29 THR 29 .9379 999.9900 .2916 999.9900 -1.0006 .0763 .3502 .5340 .4574 .2226 30 ASN 30 .9642 -.7732 999.9900 999.9900 .3587 .1832 .2809 .5762 .4532 .2814 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .0933 -.7638 -.6791 .0849 -.2335 -.5771 32 LYS 32 .9480 .7597 999.9900 -.0770 .0060 .3120 -.0375 .5335 .2956 .2937 33 THR 33 .8748 999.9900 .4804 999.9900 .1092 .4881 .2152 .6186 .4505 .4596 34 HIS 34 .9933 -.2881 999.9900 999.9900 .4328 .3793 .3009 .2760 .2864 .3430 35 PHE 35 -.9688 -.7766 999.9900 999.9900 -.4285 -.7246 .2721 -.0482 .0853 -.3900 36 ARG 36 -.0882 .3075 999.9900 .1593 -2.3710 -.3666 .5421 .4751 .5030 -.1166 37 SER 37 -2.7213 999.9900 .8786 999.9900 -.4586 -.7671 -.0491 .4234 .2265 -.3854 38 LYS 38 .4938 .1550 999.9900 .6906 -.4103 .3239 .6606 .5505 .5964 .4044 39 ASP 39 1.1359 -1.1348 999.9900 999.9900 .4469 .1493 .1226 .3587 .2603 .1859 40 HIS 40 1.3920 -.8163 999.9900 999.9900 -1.6368 -.3537 -3.1119 .1534 -1.2071 -.8039 41 LYS 41 .6780 .4914 999.9900 -.4035 -2.6618 -.4599 -.7591 -.0380 -.3384 -.4424 42 LYS 42 1.0838 .4325 999.9900 .3546 .5595 .5570 .1008 .6644 .4296 .5072 43 ARG 43 1.1353 -2.8571 999.9900 .9503 -.5739 -.0790 -.3160 .4932 .1560 -.0311 44 LEU 44 .6509 .8730 999.9900 999.9900 .4227 .6488 .0138 .5726 .3398 .5066 45 LYS 45 1.0838 .8340 999.9900 -.0397 .8827 .5442 .5864 .5562 .5688 .5520 46 GLN 46 .0311 -.2368 999.9900 1.3059 .7055 .4514 .5849 .4760 .5214 .4778 47 LEU 47 -.1625 -1.4036 999.9900 999.9900 -.2790 -.6150 .2952 .0688 .1631 -.2962 48 SER 48 1.0911 999.9900 .3727 999.9900 .7576 .7405 .4434 .6060 .5382 .6542 49 VAL 49 -1.8264 999.9900 .8662 999.9900 .6503 -.1033 .4909 .6753 .5985 .1713 50 GLU 50 -.9070 -.4584 999.9900 .3501 -1.2865 -.5754 .1248 .5711 .3851 -.2676 51 PRO 51 -5.1268 999.9900 999.9900 999.9900 .2989 -2.4140 -.0742 -.8671 -.5367 -1.4423 52 TYR 52 -1.0108 -1.2283 999.9900 999.9900 -.4027 -.8806 -.2256 -.5985 -.4432 -.6932 53 SER 53 -3.2405 999.9900 -.7153 999.9900 -.0193 -1.3251 .3104 .3016 .3053 -.6726 54 GLN 54 -1.1984 .1562 999.9900 1.3059 .1963 .1150 -.1974 .2595 .0691 .0870 55 GLU 55 -1.4945 .4305 999.9900 1.1588 -.6780 -.1458 .3614 .4051 .3869 .0306 56 GLU 56 -3.2255 .5420 999.9900 -1.0323 -.6780 -1.0985 .2417 -.9707 -.4656 -.8538 57 ALA 57 -.6970 999.9900 999.9900 999.9900 -1.8670 -1.2820 .3136 .3579 .3395 -.4731 58 GLU 58 -3.2255 .7809 999.9900 -1.0323 -1.8950 -1.3430 -.7454 .0131 -.3029 -1.0174 59 ARG 59 -.3136 -.1877 999.9900 .5548 .5640 .2345 -.4358 .3596 .0282 .1566 60 ALA 60 -1.9992 999.9900 999.9900 999.9900 .3801 -.8095 -.2164 .2816 .0741 -.3885 61 ALA 61 -1.9992 999.9900 999.9900 999.9900 .7881 -.6056 -1.5054 -.0353 -.6478 -.6879 62 GLY 62 -1.7786 999.9900 999.9900 999.9900 .3466 -.7160 -1.1825 .6576 -.1602 -.4892 63 MET 63 -.7108 .5321 999.9900 .9587 .6113 .3478 -.0548 .5959 .3248 .3221 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .6890 -1.3987 .2800 .6906 .5081 -.4567 65 SER 65 -.0579 999.9900 .6576 999.9900 .6931 .4309 -.3146 .6028 .2205 .3162 66 TYR 66 -.1387 .8258 999.9900 999.9900 .5127 .3999 -1.1873 .5196 -.1916 .1064 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.2818 -.0824 -.1679 -.4810 Means: -.4309 -.2041 .2470 .3769 -.1263 -.1490 -.0383 .3749 .2018 -.0249 2.00 refined_10