1 MET 1 999.9900 .5321 999.9900 1.7963 .4206 .9164 .3993 .6539 .5382 .7604 2 ALA 2 -.7637 999.9900 999.9900 999.9900 .0520 -.3559 -.1284 .6304 .3142 -.0525 3 ASP 3 -.8144 -.5059 999.9900 999.9900 -.7687 -.6964 .1743 .5273 .3802 -.2775 4 THR 4 .1579 999.9900 .4804 999.9900 -.2561 .1274 .2385 .4037 .3349 .2049 5 GLY 5 -2.4582 999.9900 999.9900 999.9900 -1.2432 -1.8507 -1.6925 .2958 -.5879 -1.2745 6 GLU 6 -1.9096 -1.5476 999.9900 -1.0323 .5923 -.9743 .0646 -.1873 -.0823 -.6700 7 VAL 7 -.0145 999.9900 -.2457 999.9900 .6959 .1452 -.0818 .4898 .2516 .1687 8 GLN 8 -.4424 1.1250 999.9900 1.3059 .6605 .6622 -.1690 .4835 .2116 .4939 9 PHE 9 .1414 .7639 999.9900 999.9900 .7573 .5542 .1813 .5088 .3724 .4705 10 MET 10 -.0824 .5321 999.9900 .9587 .3104 .4297 .4514 .6355 .5588 .4676 11 LYS 11 -.3223 -1.9682 999.9900 -.4035 .8827 -.4430 -.1040 .0853 .0064 -.3191 12 PRO 12 .3744 999.9900 999.9900 999.9900 .5793 .4769 .3707 .4965 .4441 .4552 13 PHE 13 .1161 -.1548 999.9900 999.9900 -2.2412 -.7599 .3917 .5744 .4983 -.2627 14 ILE 14 -.0918 -2.2551 999.9900 999.9900 -2.1444 -1.4971 .2220 .0411 .1164 -.8457 15 SER 15 .5661 999.9900 -.7153 999.9900 .7982 .2163 .4684 .4662 .4671 .3167 16 GLU 16 .6833 .8793 999.9900 -1.0323 -.6780 -.0369 .2986 .5541 .4477 .1175 17 LYS 17 -.4760 -.2970 999.9900 .1140 .7460 .0402 .3482 .5073 .4410 .1509 18 SER 18 -.5255 999.9900 -.7153 999.9900 .3749 -.2886 .3778 .5843 .4983 .0192 19 SER 19 .8651 999.9900 .3727 999.9900 .1597 .4659 .5149 .6710 .6060 .5167 20 LYS 20 -1.5887 .1761 999.9900 1.0822 -2.6618 -.3820 .1570 .6519 .4457 -.1573 21 SER 21 .0280 999.9900 .6576 999.9900 -.0193 .2221 -.4234 .3454 .0251 .1177 22 LEU 22 -.3571 -1.4036 999.9900 999.9900 .8331 -.3092 -.6345 .2520 -.1174 -.2620 23 GLU 23 -.7937 -2.8418 999.9900 -1.0323 .0339 -1.1585 -.5021 -.0253 -.2239 -.8602 24 ILE 24 -.4972 -.0414 999.9900 999.9900 .3195 -.0730 .3282 .5278 .4446 .1274 25 PRO 25 -.2296 999.9900 999.9900 999.9900 -.1935 -.2115 .6021 .4587 .5184 .1594 26 LEU 26 1.1349 -1.4036 999.9900 999.9900 .7753 .1688 .1891 .4032 .3140 .2198 27 GLY 27 .9829 999.9900 999.9900 999.9900 .9364 .9597 .6813 .6459 .6616 .8116 28 PHE 28 .8041 .8308 999.9900 999.9900 -.3041 .4436 .5631 .4922 .5217 .4772 29 ASN 29 1.3908 -1.2512 999.9900 999.9900 .5940 .2446 .5067 .6060 .5646 .3693 30 GLU 30 .8733 .6046 999.9900 -1.0323 -.6780 -.0581 .5434 .3897 .4537 .1168 31 TYR 31 .6431 .7421 999.9900 999.9900 .8517 .7456 .4169 .3367 .3701 .5981 32 PHE 32 -3.6149 -.0709 999.9900 999.9900 -1.2178 -1.6345 .0903 .3231 .2261 -.8980 33 PRO 33 -.2605 999.9900 999.9900 999.9900 -.1935 -.2270 -.7833 .3475 -.1237 -.2224 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -2.1366 -1.2899 .4372 .3602 .3923 -.4456 35 PRO 35 .5449 999.9900 999.9900 999.9900 .0500 .2974 .0396 .2649 .1711 .2249 36 PHE 36 -.6534 -.7766 999.9900 999.9900 .0736 -.4521 -.4676 .2823 -.0301 -.3083 37 PRO 37 -.7236 999.9900 999.9900 999.9900 -1.6867 -1.2052 -.8327 .4618 -.0776 -.6953 38 ILE 38 .6852 -.0177 999.9900 999.9900 .4912 .3862 .0251 .5991 .3599 .3566 39 THR 39 .3976 999.9900 -.8810 999.9900 .2056 -.0926 -.6506 .2879 -.1031 -.1281 40 VAL 40 -.8680 999.9900 .9747 999.9900 .5258 .2108 .1402 -.0860 .0083 .1373 41 ASP 41 -1.0681 -.7868 999.9900 999.9900 -.1266 -.6605 -.4746 .4814 .0831 -.3949 42 LEU 42 .1006 .8730 999.9900 999.9900 .3648 .4461 -.7312 .5451 .0133 .2305 43 LEU 43 -.3896 -1.8410 999.9900 999.9900 .4504 -.5934 -.9963 .5261 -.1082 -.4501 44 ASP 44 -.6569 -2.8653 999.9900 999.9900 -.0689 -1.1971 .2989 .3994 .3575 -.5786 45 TYR 45 .3981 .4960 999.9900 999.9900 .7784 .5575 .4069 .2974 .3430 .4754 46 SER 46 -.4057 999.9900 -.0289 999.9900 .6705 .0786 .4648 .6246 .5580 .2651 47 GLY 47 -2.2927 999.9900 999.9900 999.9900 .3466 -.9731 -.1040 .6738 .3281 -.3441 48 ARG 48 -.4945 -.2334 999.9900 .1593 -.0022 -.0823 -.0219 .0886 .0426 -.0493 49 SER 49 -.2734 999.9900 .8786 999.9900 .3088 .3047 .5066 .4321 .4631 .3705 50 TRP 50 .0682 -1.4740 999.9900 999.9900 .4467 -.3197 -.0553 .4512 .2401 -.1126 51 THR 51 .1937 999.9900 .7650 999.9900 -1.3910 -.1441 .2740 .4534 .3787 .0590 52 VAL 52 -.3637 999.9900 -.0276 999.9900 .7394 .1161 .4858 .5928 .5482 .2853 53 ARG 53 -.4063 .7158 999.9900 1.0856 -1.7309 .1499 .3975 .3306 .3585 .2111 54 MET 54 -.1902 .5321 999.9900 .9587 .3104 .4028 .5745 .4900 .5252 .4459 55 LYS 55 -.4160 .8596 999.9900 1.0942 .2547 .5773 .4915 .4982 .4954 .5538 56 LYS 56 -.4232 .0381 999.9900 .4778 .0525 .1246 -3.3369 .3618 -1.1793 -.3360 57 ARG 57 -2.0927 -.4122 999.9900 .1593 .2455 -.3882 -.2822 .5510 .2038 -.2389 58 GLY 58 -1.3851 999.9900 999.9900 999.9900 -.9224 -1.1537 -.2644 .6698 .2546 -.4755 59 GLU 59 -.4919 -.9977 999.9900 -1.0323 -.7952 -.8293 .3891 .4248 .4099 -.4172 60 LYS 60 -.9563 -2.9005 999.9900 -.0397 -2.0338 -1.1940 -.9591 .3518 -.1944 -.9396 61 VAL 61 -.6656 999.9900 .4980 999.9900 .6959 .1761 -1.6718 .1594 -.6036 -.1968 62 PHE 62 -.0168 .4845 999.9900 999.9900 .5949 .3542 -1.4955 .2379 -.4843 -.0390 63 LEU 63 -.7094 -.2519 999.9900 999.9900 -2.5031 -1.1548 -1.0634 .1007 -.3844 -.8854 64 THR 64 -3.0201 999.9900 -.8810 999.9900 -1.6680 -1.8564 -.4473 .0843 -.1372 -1.1864 65 VAL 65 -1.7159 999.9900 -1.0788 999.9900 -1.3636 -1.3861 -.7698 .0833 -.2721 -.9689 66 GLY 66 -2.1575 999.9900 999.9900 999.9900 -1.5458 -1.8516 -.4384 -.0780 -.2381 -1.0549 67 TRP 67 .2222 .0052 999.9900 999.9900 .5918 .2731 .4830 .4978 .4916 .3600 68 GLU 68 .6116 .7809 999.9900 -1.0323 1.0761 .3591 .5001 .5798 .5466 .4194 69 ASN 69 1.1678 .1037 999.9900 999.9900 .1585 .4767 -.5584 .6139 .1254 .2971 70 PHE 70 .6259 -3.6820 999.9900 999.9900 -.5721 -1.2094 .2494 .5266 .4111 -.5704 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .6734 .1927 .2185 .5271 .3985 .2647 72 LYS 72 .6780 .1966 999.9900 .2495 .3573 .3462 .3921 -.0151 .1545 .3011 73 ASP 73 1.3227 -.8657 999.9900 999.9900 .8104 .4225 -.2113 .5930 .2578 .3298 74 ASN 74 -.3337 -.4258 999.9900 999.9900 -1.0852 -.6149 .5065 .4734 .4872 -.1729 75 ASN 75 -1.7258 -1.2512 999.9900 999.9900 -.5831 -1.1867 .3447 -.0147 .1351 -.6460 76 LEU 76 -.8032 -1.9410 999.9900 999.9900 .6486 -.6985 -.5943 .4270 .0015 -.4526 77 GLU 77 -1.9801 -1.0866 999.9900 -1.0323 .2101 -.9722 .3299 .3116 .3192 -.5412 78 ASP 78 -.6028 -1.0518 999.9900 999.9900 .0868 -.5226 .1855 .5179 .3794 -.1729 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 .2296 -.5365 -.2307 .4466 .1456 -.2143 80 LYS 80 -.3350 1.1634 999.9900 .9771 -1.4057 .2754 -.4749 .4029 .0372 .1864 81 TYR 81 .2641 .8258 999.9900 999.9900 .7393 .6098 -2.0514 .6631 -.4680 .0882 82 LEU 82 .0291 -1.6805 999.9900 999.9900 .8331 -.2728 -1.4594 .4414 -.3506 -.3673 83 GLN 83 -.1803 .4476 999.9900 1.3059 .6133 .5466 -1.7811 .3570 -.5339 .1271 84 PHE 84 .0058 .5589 999.9900 999.9900 .2815 .2821 -1.5171 .5633 -.3035 -.0215 85 ILE 85 -.0022 .6227 999.9900 999.9900 -.8571 -.0789 -.5602 .4103 .0059 -.0773 86 TYR 86 .2641 .5130 999.9900 999.9900 -1.3683 -.1971 -.9529 .6196 -.0356 -.1849 87 ASP 87 -1.3478 -.5059 999.9900 999.9900 .1786 -.5584 .4449 -.4681 -.0877 -.3397 88 ARG 88 -2.9267 .3075 999.9900 .9503 .6728 -.0092 .5707 .4727 .5135 .1425 89 ASP 89 -3.3417 -1.0010 999.9900 999.9900 -.4783 -1.6070 -1.2218 -.6523 -.8896 -1.3390 90 ARG 90 -1.6758 -2.3766 999.9900 .7862 .6728 -.3614 -.0331 .3894 .2133 -.2073 91 THR 91 .1937 999.9900 .0483 999.9900 -.0562 .0619 .3069 .3996 .3610 .1785 92 PHE 92 .0900 .5589 999.9900 999.9900 -.3041 .1149 .1636 .6045 .4208 .2226 93 TYR 93 .0686 -.0856 999.9900 999.9900 -1.9776 -.6648 .3598 .3632 .3618 -.2543 94 VAL 94 .3372 999.9900 -.0276 999.9900 -1.1891 -.2931 .5127 .6481 .5917 .0563 95 ILE 95 .3059 -1.1818 999.9900 999.9900 -.8571 -.5777 .1494 .3364 .2585 -.2495 96 ILE 96 .3543 .2838 999.9900 999.9900 .1133 .2505 -.2962 .6408 .2504 .2192 97 TYR 97 -.6832 .8492 999.9900 999.9900 .6984 .2881 -.0964 .5732 .2942 .2682 98 GLY 98 -1.5840 999.9900 999.9900 999.9900 -.2133 -.8987 -.5579 .6757 .1275 -.4199 99 HIS 99 -1.6168 -1.0384 999.9900 999.9900 -.1902 -.9485 .1811 .1602 .1689 -.5008 100 ASN 100 -3.4329 .2165 999.9900 999.9900 .7224 -.8313 -.3727 .2711 .0029 -.5191 101 MET 101 -.8300 .3244 999.9900 .9587 .8447 .3245 -.6867 .3044 -.1085 .1526 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.1551 .0735 -.0245 .0160 Means: -.4455 -.3845 -.0461 .3447 -.1140 -.2135 -.1337 .3906 .1711 -.0829 2.00 refined_6