1 MET 1 999.9900 -.2135 999.9900 .9587 .0476 .2643 .3841 .5821 .4921 .3518 2 ALA 2 -1.9174 999.9900 999.9900 999.9900 .5367 -.6904 .0190 .6196 .3694 -.1855 3 ASP 3 -.1512 -2.4630 999.9900 999.9900 -1.3622 -1.3255 .4117 .5475 .4909 -.6035 4 THR 4 .7717 999.9900 .6346 999.9900 -.3332 .3577 .4096 .4714 .4457 .3908 5 GLY 5 -3.4864 999.9900 999.9900 999.9900 -.3938 -1.9401 -1.9354 .6049 -.5241 -1.3027 6 GLU 6 -1.1689 -1.5476 999.9900 -1.0323 .3899 -.8397 -.8472 .2805 -.1894 -.6543 7 VAL 7 .0764 999.9900 .1416 999.9900 .6025 .2735 -1.4933 .3874 -.3962 -.0571 8 GLN 8 -.3535 -.6527 999.9900 1.3059 -.7286 -.1072 -1.1782 .3490 -.2874 -.2097 9 PHE 9 .1414 .7639 999.9900 999.9900 .0736 .3263 -.4087 .4342 .0830 .2009 10 MET 10 -.1559 -.2135 999.9900 .9587 -.8385 -.0623 .1454 .4248 .3084 .0535 11 LYS 11 -.6340 .7114 999.9900 -.4035 -1.6664 -.4792 .3840 .3556 .3674 -.2366 12 PRO 12 -.3960 999.9900 999.9900 999.9900 .7281 .1660 -.0334 .5946 .3329 .2233 13 PHE 13 -.2255 .7639 999.9900 999.9900 .8629 .4671 .5547 .2753 .3917 .4463 14 ILE 14 -.5593 .6227 999.9900 999.9900 -1.0155 -.3174 .3928 .5565 .4883 -.0006 15 SER 15 -.6212 999.9900 -.7153 999.9900 .3088 -.3426 .1936 .0721 .1227 -.1524 16 GLU 16 .0765 1.1195 999.9900 -1.0323 -.6780 -.1286 .3800 .6702 .5493 .0893 17 LYS 17 -2.0221 .9683 999.9900 -.0397 .6340 -.0999 .4765 .5639 .5275 .0773 18 SER 18 -.1309 999.9900 -.0289 999.9900 -.4586 -.2061 -.1955 .6585 .3027 -.0311 19 SER 19 .7489 999.9900 -.7153 999.9900 -.8619 -.2761 -.0053 .4886 .2828 -.0690 20 LYS 20 -2.0221 -.3256 999.9900 -.0397 -2.6618 -1.0178 .2022 .5309 .3939 -.6223 21 SER 21 .0280 999.9900 -.7153 999.9900 -.0193 -.2356 .4707 -.1634 .1008 -.0799 22 LEU 22 -.4786 -1.8410 999.9900 999.9900 .6926 -.5423 -.3616 -.0114 -.1573 -.4000 23 GLU 23 -1.3222 -.3402 999.9900 1.7325 .7566 .2067 .0339 .4535 .2786 .2190 24 ILE 24 .1597 .6227 999.9900 999.9900 -.7199 .0208 .3689 .4598 .4219 .1782 25 PRO 25 .4049 999.9900 999.9900 999.9900 .2989 .3519 .5910 .2240 .3769 .3797 26 LEU 26 .8786 -1.4036 999.9900 999.9900 .6258 .0336 .2371 .3624 .3102 .1401 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .7005 .6431 .6686 .7190 28 PHE 28 -.0970 .5902 999.9900 999.9900 .2172 .2368 .4521 .5911 .5332 .3507 29 ASN 29 -.2139 .3778 999.9900 999.9900 .7518 .3052 .5843 .3881 .4698 .3776 30 GLU 30 .4426 .6046 999.9900 -1.0323 .7127 .1819 .5912 -.0207 .2343 .2164 31 TYR 31 .3338 .4960 999.9900 999.9900 .2769 .3689 .5007 .2761 .3697 .3767 32 PHE 32 -3.6149 -.9508 999.9900 999.9900 -.4285 -1.6647 -.0452 .1444 .0654 -.9790 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.0243 -.3740 -1.9965 .0781 -.7863 -.6666 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.3426 -.8681 .4041 .2519 .3153 -.2700 35 PRO 35 .4011 999.9900 999.9900 999.9900 -1.6867 -.6428 .2976 .4103 .3633 -.1444 36 PHE 36 -.2156 -.2091 999.9900 999.9900 -1.2178 -.5475 -.2638 .4448 .1495 -.2923 37 PRO 37 .1879 999.9900 999.9900 999.9900 .6188 .4033 .0289 .6315 .3804 .3668 38 ILE 38 -1.3063 -.0177 999.9900 999.9900 .1133 -.4036 -.2463 .5380 .2112 -.1838 39 THR 39 .3976 999.9900 -.8810 999.9900 -.0562 -.1799 -.2616 .6653 .2791 -.0272 40 VAL 40 -.0582 999.9900 -.5532 999.9900 -.0367 -.2160 -.4999 .2306 -.0737 -.1835 41 ASP 41 -.5526 -.3623 999.9900 999.9900 .0375 -.2925 -.1115 .4169 .1968 -.1144 42 LEU 42 -.0536 .8730 999.9900 999.9900 .8331 .5509 -1.1772 .3393 -.2926 .1629 43 LEU 43 .0762 -2.1315 999.9900 999.9900 .3346 -.5736 -1.5189 .5638 -.3040 -.5352 44 ASP 44 -.8144 -1.7105 999.9900 999.9900 -1.3622 -1.2957 .2925 .5074 .4179 -.6174 45 TYR 45 .3981 .2884 999.9900 999.9900 .9193 .5353 .5542 .4780 .5098 .5276 46 SER 46 .1178 999.9900 -.0289 999.9900 .6705 .2531 .5074 .6060 .5649 .3746 47 GLY 47 1.0314 999.9900 999.9900 999.9900 .7185 .8750 .3524 .6743 .5312 .6942 48 ARG 48 -.4155 -.5225 999.9900 1.0005 .7064 .3539 .3400 .5058 .4367 .3736 49 SER 49 -.2734 999.9900 -.0289 999.9900 -.0193 -.1072 .3181 .6659 .5210 .1325 50 TRP 50 -.0034 -.0877 999.9900 999.9900 .0811 -.0033 -.0146 .5487 .3140 .1048 51 THR 51 .1937 999.9900 .0483 999.9900 -2.7258 -.8279 .1229 .5669 .3819 -.3588 52 VAL 52 -.3637 999.9900 -.5532 999.9900 .7394 -.0591 .4924 .6414 .5793 .1913 53 ARG 53 -.5383 1.1781 999.9900 .1593 -1.3564 -.0796 .3029 .6592 .5107 .0806 54 MET 54 -.7980 .2906 999.9900 1.7963 .6113 .4751 .6255 .2052 .3804 .4552 55 LYS 55 -.1665 -2.1617 999.9900 .2868 -.5755 -.4660 .1414 .4318 .3108 -.2510 56 LYS 56 -1.0587 -.2432 999.9900 -.0397 -.4103 -.3583 -2.5937 -.4108 -1.3203 -.6852 57 ARG 57 -1.6049 .7037 999.9900 .1593 -.0761 -.1317 -.4389 .4753 .0944 -.0889 58 GLY 58 -1.4300 999.9900 999.9900 999.9900 -.1350 -.7825 -2.5035 .5549 -.8044 -.8784 59 GLU 59 -1.0629 1.0525 999.9900 -1.0323 -1.2865 -.5823 -.4630 .2747 -.0327 -.4196 60 LYS 60 -.8010 1.2989 999.9900 .3546 -2.0338 -.1653 .1490 .4698 .3361 -.0297 61 VAL 61 .5686 999.9900 .3968 999.9900 .6503 .5386 -1.9251 .1563 -.7110 -.0306 62 PHE 62 -.0168 .3244 999.9900 999.9900 .7573 .3550 -1.4073 -.1012 -.6454 -.0887 63 LEU 63 -.0792 -1.0719 999.9900 999.9900 -1.8015 -.9842 -.8685 -.2998 -.5367 -.8242 64 THR 64 -4.2065 999.9900 -.8810 999.9900 -1.3910 -2.1595 .1254 .1002 .1107 -1.2506 65 VAL 65 -1.2071 999.9900 .1416 999.9900 -2.2406 -1.1020 -.2385 .0287 -.0826 -.7032 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 -1.1231 -1.2541 -.8407 -.0823 -.4194 -.8578 67 TRP 67 .4280 .5502 999.9900 999.9900 -.9146 .0212 -.0728 .4465 .2301 .0875 68 GLU 68 .3258 .6653 999.9900 -1.0323 .6899 .1622 -.2294 .6369 .2760 .1760 69 ASN 69 .9310 -1.3461 999.9900 999.9900 .9106 .1652 -.3646 .5321 .1585 .1326 70 PHE 70 -.0803 -.1636 999.9900 999.9900 .1482 -.0319 .4269 .2573 .3280 .1177 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .8778 .2817 .1246 .5836 .3924 .3107 72 LYS 72 .6751 .0381 999.9900 1.4762 -1.6664 .3998 .4341 .4915 .4676 .4178 73 ASP 73 .9921 -1.4542 999.9900 999.9900 .2216 -.0802 -.4502 .4615 .0816 -.0458 74 ASN 74 -.1320 -.2034 999.9900 999.9900 -.0996 -.1450 .5342 .3271 .4134 .0853 75 ASN 75 -3.4329 -1.0148 999.9900 999.9900 .1585 -1.4297 -.1003 .3952 .1887 -.7989 76 LEU 76 -.8032 -2.4128 999.9900 999.9900 .2713 -.9816 -.3352 -.5843 -.4805 -.7728 77 GLU 77 -1.8465 -1.4588 999.9900 .3501 .6899 -.5663 .2738 .0333 .1335 -.3264 78 ASP 78 -.5899 -.3515 999.9900 999.9900 -.1878 -.3764 -.0280 .6324 .3572 -.1050 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 -1.1231 -1.7079 -.1303 .3532 .1383 -.7982 80 LYS 80 -.3811 1.0562 999.9900 -.4035 -1.6664 -.3597 -.2375 .3604 .1112 -.2394 81 TYR 81 .6005 -1.2283 999.9900 999.9900 -.7591 -.4623 .3579 .1929 .2617 -.1672 82 LEU 82 .0291 .8730 999.9900 999.9900 -.0758 .2754 .3416 .6245 .5066 .3585 83 GLN 83 -.3535 .6816 999.9900 1.3059 .1963 .4576 .3903 .4541 .4275 .4458 84 PHE 84 -.2255 .1033 999.9900 999.9900 -.0962 -.0728 -.4475 .6483 .1917 -.0035 85 ILE 85 .2768 -.4893 999.9900 999.9900 -1.4322 -.5482 .0931 .2944 .2106 -.2514 86 TYR 86 -.0390 .2608 999.9900 999.9900 -.0463 .0585 .4690 .5956 .5429 .2480 87 ASP 87 .2887 -.5059 999.9900 999.9900 .1337 -.0278 .2172 .3199 .2771 .0907 88 ARG 88 -1.4318 -.5225 999.9900 .9503 .2455 .0384 -.1096 -.0842 -.0948 -.0003 89 ASP 89 -1.9072 -.2599 999.9900 999.9900 .1786 -.6628 -.9828 .0251 -.3948 -.5892 90 ARG 90 -.5383 .5490 999.9900 1.3169 .4407 .6170 .1591 .0625 .1028 .4724 91 THR 91 .2184 999.9900 -.8810 999.9900 -.8522 -.5049 .0569 .1286 .0987 -.2659 92 PHE 92 -.0803 -1.9363 999.9900 999.9900 .5949 -.4739 .1037 .4131 .2842 -.1810 93 TYR 93 .0686 .5297 999.9900 999.9900 .5127 .3703 .3503 .5737 .4806 .4070 94 VAL 94 .4158 999.9900 -1.0788 999.9900 -.0858 -.2496 .2554 .6322 .4752 .0278 95 ILE 95 .3543 .6227 999.9900 999.9900 -1.0155 -.0128 .4116 .5332 .4825 .1813 96 ILE 96 -.2299 .4983 999.9900 999.9900 .2717 .1800 .3456 .5328 .4548 .2837 97 TYR 97 -.3077 -.7135 999.9900 999.9900 .4594 -.1872 .5834 .4727 .5189 .0989 98 GLY 98 -2.1575 999.9900 999.9900 999.9900 .6890 -.7342 .4846 .6151 .5571 -.0922 99 HIS 99 -3.0884 .4588 999.9900 999.9900 .2322 -.7991 -.0327 .1873 .0956 -.4485 100 ASN 100 -2.5793 -1.4522 999.9900 999.9900 .7224 -1.1030 -.2272 .3193 .0916 -.6434 101 MET 101 -1.0204 -2.0676 999.9900 .9587 -1.9874 -1.0292 .2908 .2080 .2425 -.6030 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .4481 -.1058 .1316 .1573 Means: -.4779 -.2248 -.3498 .3528 -.1914 -.2302 -.0632 .3682 .1876 -.0843 2.00 refined_4