1 MET 1 999.9900 -.1452 999.9900 .9587 -.1136 .2333 .1980 .6763 .4589 .3148 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 -.4068 -1.7377 .5572 .2062 .3525 -.6780 3 ASP 3 -.3017 -1.4542 999.9900 999.9900 -1.8780 -1.2113 .1944 .3451 .2823 -.6189 4 THR 4 .8449 999.9900 .2916 999.9900 .5164 .5510 -.1371 .3203 .1297 .3672 5 GLY 5 -.1573 999.9900 999.9900 999.9900 .0036 -.0768 -.0216 .6415 .3468 .1166 6 GLU 6 -2.8104 .6046 999.9900 -1.0323 -1.2865 -1.1311 -.2716 .5921 .2322 -.7007 7 VAL 7 .0764 999.9900 -.2457 999.9900 .6734 .1680 -.6920 .3811 -.0661 .0386 8 GLN 8 -.4424 -.4838 999.9900 1.3059 .7055 .2713 -.5833 .5976 .1056 .1832 9 PHE 9 .2406 .8308 999.9900 999.9900 .5949 .5554 -.2763 .3641 .0973 .3508 10 MET 10 -.2922 .5321 999.9900 1.7963 .6113 .6619 .1249 .6340 .4219 .5677 11 LYS 11 -.8267 .7568 999.9900 -.0770 -.4103 -.1269 .4244 .4846 .4595 .0392 12 PRO 12 .6201 999.9900 999.9900 999.9900 .1827 .4014 .4306 .4683 .4526 .4254 13 PHE 13 -.5560 -.1636 999.9900 999.9900 -.0075 -.2424 .3780 .3825 .3806 .0067 14 ILE 14 .1597 -1.8577 999.9900 999.9900 -1.0155 -.9045 -.2466 .2556 .0464 -.5409 15 SER 15 .6980 999.9900 -.7153 999.9900 .7982 .2603 .5674 .5641 .5655 .3825 16 GLU 16 .5470 .8332 999.9900 -1.0323 .7566 .2761 .1583 .4217 .3120 .2808 17 LYS 17 -1.4779 -2.1617 999.9900 -.4035 -1.4057 -1.1705 -.4231 -.3201 -.3630 -.9422 18 SER 18 -.5255 999.9900 -.7153 999.9900 -2.5979 -1.2796 .1194 .3877 .2759 -.6663 19 SER 19 1.0911 999.9900 -.7153 999.9900 .5215 .2991 -.3021 .4255 .1224 .2041 20 LYS 20 -3.0472 1.1488 999.9900 1.1353 -2.6618 -.4579 .4967 .3989 .4396 -.1992 21 SER 21 .2130 999.9900 -.7153 999.9900 -.0193 -.1739 -.6137 .2684 -.0991 -.1734 22 LEU 22 -.0792 -1.2835 999.9900 999.9900 .6258 -.2456 -.0730 .1410 .0518 -.1338 23 GLU 23 -1.3222 -.6748 999.9900 .3501 .4526 -.2986 -.3899 .6044 .1901 -.1633 24 ILE 24 -.0879 .6227 999.9900 999.9900 .4912 .3420 .3231 .3689 .3498 .3436 25 PRO 25 .4049 999.9900 999.9900 999.9900 .4949 .4499 .5413 .6023 .5769 .5108 26 LEU 26 .8475 -1.4036 999.9900 999.9900 .4227 -.0445 .3031 .3240 .3153 .0987 27 GLY 27 .4759 999.9900 999.9900 999.9900 .9364 .7062 .6358 .6720 .6559 .6800 28 PHE 28 .0766 .5902 999.9900 999.9900 -.0075 .2198 .5807 .5000 .5336 .3480 29 ASN 29 .1294 -1.0148 999.9900 999.9900 .1006 -.2616 .4854 .5833 .5425 .0568 30 GLU 30 .4426 .7809 999.9900 .3501 1.0761 .6624 .4787 .6026 .5510 .6218 31 TYR 31 .3338 .1342 999.9900 999.9900 .2066 .2248 -.1044 .3779 .1769 .1896 32 PHE 32 -3.6149 .1164 999.9900 999.9900 -2.2412 -1.9132 -.1753 .0576 -.0394 -1.1715 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.6674 -.6955 -.8024 .3593 -.1247 -.4585 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.1070 -.7752 .3452 .3892 .3708 -.2040 35 PRO 35 -.0828 999.9900 999.9900 999.9900 -2.3298 -1.2063 .0727 .1828 .1369 -.5393 36 PHE 36 -.8715 -.0709 999.9900 999.9900 .2172 -.2417 -.3650 .5667 .1785 -.1047 37 PRO 37 .3744 999.9900 999.9900 999.9900 .6931 .5337 -.6452 .4948 .0198 .2293 38 ILE 38 .3698 -.0177 999.9900 999.9900 .4912 .2811 -.3631 .5155 .1494 .1991 39 THR 39 .3976 999.9900 -.8810 999.9900 .1092 -.1247 -.2401 .6430 .2751 .0057 40 VAL 40 -.0582 999.9900 -.5532 999.9900 -1.0415 -.5510 -.8192 .2099 -.2189 -.4524 41 ASP 41 -1.0681 -.4551 999.9900 999.9900 .3772 -.3820 .1602 .4294 .3172 -.1113 42 LEU 42 .1006 .5280 999.9900 999.9900 .3942 .3409 -.4872 .5204 .1005 .2112 43 LEU 43 -.1196 -2.1315 999.9900 999.9900 -.2242 -.8251 -.8219 .4647 -.0714 -.5665 44 ASP 44 -1.3478 -.5059 999.9900 999.9900 .9215 -.3108 .0768 .4510 .2951 -.0809 45 TYR 45 .3981 .4960 999.9900 999.9900 -.1498 .2481 .4573 .5511 .5120 .3505 46 SER 46 -2.4175 999.9900 -.0289 999.9900 -.8619 -1.1028 -.1083 .2856 .1215 -.6262 47 GLY 47 -.7692 999.9900 999.9900 999.9900 -.1733 -.4713 .4843 .5281 .5086 .0175 48 ARG 48 -.5733 1.0858 999.9900 .7862 .5640 .5298 .3728 .3977 .3874 .4885 49 SER 49 -.5771 999.9900 -.7153 999.9900 .2374 -.3517 .3525 .6398 .5201 -.0126 50 TRP 50 -.8485 -.0403 999.9900 999.9900 .0811 -.2692 .2805 .6010 .4675 .0148 51 THR 51 .0164 999.9900 .6346 999.9900 -1.0006 -.1165 .0951 .5084 .3362 .0508 52 VAL 52 -.0582 999.9900 -.2457 999.9900 .2505 -.0178 .6598 .5646 .6043 .2342 53 ARG 53 -.4063 .7158 999.9900 .5548 -1.7309 -.0623 .4360 .6447 .5577 .1098 54 MET 54 -.3503 .5321 999.9900 .9587 .3104 .3627 .6217 .2976 .4327 .3950 55 LYS 55 -.1715 1.1488 999.9900 1.0171 -.6710 .4681 .4695 .5050 .4902 .4736 56 LYS 56 -.3543 .0381 999.9900 .2868 -.5755 -.0636 -4.7347 .2515 -1.8261 -.6859 57 ARG 57 -1.4318 .8024 999.9900 .1593 .6017 .0582 -.0087 .5744 .3315 .1224 58 GLY 58 -.4748 999.9900 999.9900 999.9900 -.5578 -.5163 -.5946 .6645 .1049 -.2407 59 GLU 59 -.5648 -.6497 999.9900 -1.0323 -1.0906 -.8344 .3331 .6769 .5337 -.3879 60 LYS 60 -.6340 -.2695 999.9900 .5368 .6576 .1655 .0715 .4919 .3167 .1987 61 VAL 61 -.0463 999.9900 .4980 999.9900 -.4490 .0009 -.1083 .4655 .2265 .0720 62 PHE 62 -.0017 .8190 999.9900 999.9900 -.9498 -.0442 -1.2466 .4699 -.2453 -.1818 63 LEU 63 -.7582 -1.4036 999.9900 999.9900 -3.2047 -1.7889 -1.2436 -.4502 -.7808 -1.4121 64 THR 64 -4.2065 999.9900 .4804 999.9900 -1.6680 -1.7980 .4190 .1990 .2907 -.9552 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 -.8010 -1.0290 -.0261 .1038 .0497 -.6018 66 GLY 66 -.8931 999.9900 999.9900 999.9900 -.3452 -.6191 -.7726 .3999 -.1212 -.4027 67 TRP 67 .4280 .5502 999.9900 999.9900 -.4740 .1681 .1321 .6382 .4273 .2549 68 GLU 68 .4426 -1.6501 999.9900 .3501 -1.0906 -.4870 .0000 -.2019 -.1177 -.3583 69 ASN 69 .7786 .1037 999.9900 999.9900 .6605 .5143 -.6359 .3262 -.0747 .2466 70 PHE 70 -.0803 -.6014 999.9900 999.9900 -.0962 -.2593 .4641 .6371 .5650 .0646 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .8960 .2878 .0113 .5170 .3063 .2784 72 LYS 72 .6751 .8340 999.9900 -.4035 -2.0338 -.2663 .5998 .3291 .4419 -.0575 73 ASP 73 .2706 -.5059 999.9900 999.9900 .5733 .1127 .3831 .5477 .4791 .2538 74 ASN 74 -.6931 .1235 999.9900 999.9900 .5588 -.0036 .4643 .3506 .3980 .1608 75 ASN 75 -2.8943 -1.0148 999.9900 999.9900 -.2632 -1.3908 -.2360 -.1317 -.1752 -.9080 76 LEU 76 -1.5272 -2.9612 999.9900 999.9900 -.1723 -1.5536 -.2660 .3361 .0852 -.9181 77 GLU 77 -2.1524 -.3402 999.9900 -1.0323 .2491 -.8190 .2585 .2438 .2499 -.4623 78 ASP 78 -.5899 -1.0518 999.9900 999.9900 -1.1781 -.9400 .2429 .3311 .2944 -.4492 79 GLY 79 -1.7786 999.9900 999.9900 999.9900 -1.2432 -1.5109 .4964 .2854 .3791 -.5600 80 LYS 80 -.2683 .1761 999.9900 -.0770 .2547 .0017 .0596 .5909 .3695 .0941 81 TYR 81 .3730 .2322 999.9900 999.9900 -.1498 .1518 .0476 .5352 .3320 .2076 82 LEU 82 -.1655 -1.4996 999.9900 999.9900 -2.5031 -1.3894 .0556 .6027 .3747 -.7020 83 GLN 83 -.2750 -.5092 999.9900 1.3059 .7055 .3068 -.4944 .1346 -.1275 .1446 84 PHE 84 .0058 .5589 999.9900 999.9900 -.7419 -.0591 -.3448 .6372 .2280 .0230 85 ILE 85 -.0022 -2.2551 999.9900 999.9900 -.3927 -.8833 -1.2787 .1790 -.4283 -.7499 86 TYR 86 -.0287 .7421 999.9900 999.9900 -.2672 .1487 -.1125 .1411 .0354 .0949 87 ASP 87 .2445 -.3198 999.9900 999.9900 -2.2874 -.7876 .4417 .2395 .3237 -.3363 88 ARG 88 -2.9267 -.5225 999.9900 1.4811 -1.7309 -.4436 .5386 -.0454 .1979 -.2464 89 ASP 89 -3.3417 -1.1062 999.9900 999.9900 .5431 -1.3016 -1.0967 -.4707 -.7315 -1.0944 90 ARG 90 -.8806 -.0184 999.9900 .1593 .5247 -.0111 .2876 .4158 .3624 .0925 91 THR 91 .4171 999.9900 .2916 999.9900 .9813 .5633 .2417 .2405 .2410 .4344 92 PHE 92 -.1586 .5589 999.9900 999.9900 -.0075 .1310 .1343 .5694 .3881 .2193 93 TYR 93 .0686 .7834 999.9900 999.9900 -.5629 .0963 .4178 .4252 .4222 .2264 94 VAL 94 .4158 999.9900 -1.0788 999.9900 -1.1891 -.6173 .2417 .4970 .3906 -.2227 95 ILE 95 .1597 -3.0500 999.9900 999.9900 .4912 -.7997 -1.2643 -.1212 -.5975 -.7569 96 ILE 96 .2768 -1.0451 999.9900 999.9900 .4509 -.1058 -.1581 .5772 .2708 .0203 97 TYR 97 -.6832 .8492 999.9900 999.9900 -1.0119 -.2820 -.6245 .4711 .0146 -.1999 98 GLY 98 -1.0699 999.9900 999.9900 999.9900 -.2133 -.6416 -.1685 .3393 .1136 -.2781 99 HIS 99 -3.0884 -.1263 999.9900 999.9900 -1.0138 -1.4095 -.1892 .0113 -.0722 -.8813 100 ASN 100 -1.8173 -.3237 999.9900 999.9900 .7518 -.4630 .3454 .5622 .4719 -.0963 101 MET 101 -.3815 -.1452 999.9900 .9587 .7725 .3011 -.3439 .6489 .2352 .2516 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.0429 .3098 .1586 .1322 Means: -.5041 -.2406 -.3390 .3722 -.2751 -.2644 -.0637 .3861 .1978 -.1005 2.00 refined_12