1 MET 1 999.9900 .2906 999.9900 1.7963 .8447 .9772 .3664 .5737 .4795 .7743 2 ALA 2 -1.7252 999.9900 999.9900 999.9900 .5367 -.5943 .6018 .5052 .5454 -.0204 3 ASP 3 -.5288 -.7868 999.9900 999.9900 -.7687 -.6948 .0080 .5369 .3165 -.3079 4 THR 4 -.6608 999.9900 -.2947 999.9900 -.7236 -.5597 .3071 .4306 .3791 -.1883 5 GLY 5 -.0783 999.9900 999.9900 999.9900 .3466 .1341 -.0226 .5991 .3228 .2112 6 GLU 6 -.8365 -1.7714 999.9900 1.7325 .4526 -.1057 -.5561 .1301 -.1558 -.1415 7 VAL 7 -.7345 999.9900 -1.0788 999.9900 .7810 -.3441 -1.0382 .3851 -.2079 -.3371 8 GLN 8 -.6665 -.2368 999.9900 1.3059 .0346 .1093 -.5096 .5498 .1084 .0796 9 PHE 9 .1414 .8308 999.9900 999.9900 -.0075 .3216 .5061 .4721 .4863 .3886 10 MET 10 -.2922 -.2892 999.9900 .9587 -1.2625 -.2213 .3108 .6464 .5066 .0120 11 LYS 11 -.7523 .1550 999.9900 .4411 -.3378 -.0106 .6100 .2699 .4116 .1181 12 PRO 12 .3744 999.9900 999.9900 999.9900 -.5244 -.0750 .1390 .3077 .2374 .0742 13 PHE 13 -.5560 -.1636 999.9900 999.9900 -.0075 -.2424 .3325 -.2837 -.0270 -.1357 14 ILE 14 .1597 -3.0500 999.9900 999.9900 .2717 -.8728 -.0594 .0199 -.0131 -.5316 15 SER 15 .8349 999.9900 -.7153 999.9900 -.8619 -.2474 .1880 .2387 .2176 -.0631 16 GLU 16 .5470 1.1195 999.9900 -1.0323 -1.0906 -.1141 .1862 .3868 .3032 .0194 17 LYS 17 -1.4779 -2.1617 999.9900 -.0397 -1.4057 -1.0250 -.4816 .0961 -.1446 -.7872 18 SER 18 -.1309 999.9900 -.7153 999.9900 -1.6178 -.8213 .1770 .4964 .3633 -.3581 19 SER 19 .7489 999.9900 -.0289 999.9900 .6931 .4710 .2993 .5563 .4492 .4537 20 LYS 20 -2.7709 -.2562 999.9900 .6906 .0060 -.3280 .5015 .6628 .5956 -.0679 21 SER 21 .0135 999.9900 -.7153 999.9900 .8922 .0634 -.6407 .5697 .0654 .0239 22 LEU 22 -.0411 -2.3037 999.9900 999.9900 -.9806 -1.1085 .2284 .2437 .2373 -.5707 23 GLU 23 -.5578 -.4584 999.9900 -1.0323 1.0761 -.2431 .2128 .6344 .4587 -.0209 24 ILE 24 .0813 -.0177 999.9900 999.9900 .7362 .2666 .3133 .3860 .3557 .2998 25 PRO 25 .1514 999.9900 999.9900 999.9900 -.1935 -.0210 .3311 .2896 .3069 .1447 26 LEU 26 .8182 .8730 999.9900 999.9900 -.3982 .4310 .5746 .4668 .5117 .4669 27 GLY 27 .4759 999.9900 999.9900 999.9900 .7883 .6321 .6143 .6072 .6104 .6214 28 PHE 28 .0766 .4845 999.9900 999.9900 -1.2178 -.2189 .6221 .3984 .4916 .0728 29 ASN 29 1.3908 -2.3357 999.9900 999.9900 .5940 -.1170 .5472 .6488 .6065 .1690 30 GLU 30 .0468 1.1195 999.9900 -1.0323 .0814 .0538 .5869 .6626 .6310 .2441 31 TYR 31 .3338 .4960 999.9900 999.9900 .1301 .3200 .4949 .5914 .5512 .4092 32 PHE 32 -2.7602 -.1460 999.9900 999.9900 -.9498 -1.2853 .1191 .0715 .0913 -.7331 33 PRO 33 .0120 999.9900 999.9900 999.9900 -1.6867 -.8374 -2.8693 -.1210 -1.2661 -1.1663 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -1.3426 -.8929 .1444 .0844 .1094 -.3892 35 PRO 35 .4049 999.9900 999.9900 999.9900 -1.0436 -.3194 .4156 .5303 .4825 .0768 36 PHE 36 -.5560 -.4187 999.9900 999.9900 -.0075 -.3274 -.4265 .4180 .0661 -.1981 37 PRO 37 .1313 999.9900 999.9900 999.9900 .7618 .4466 -.4834 .3954 .0292 .2013 38 ILE 38 -1.8492 -.0177 999.9900 999.9900 .3195 -.5158 .2058 .6004 .4359 -.1483 39 THR 39 -.5585 999.9900 -.8810 999.9900 .2056 -.4113 .1918 .5260 .3867 -.1032 40 VAL 40 -.3909 999.9900 -.0276 999.9900 .3827 -.0119 .2628 .4516 .3729 .1357 41 ASP 41 -1.0681 -.9533 999.9900 999.9900 .6026 -.4729 -.1036 .3418 .1562 -.2361 42 LEU 42 .1006 -1.1684 999.9900 999.9900 -.2242 -.4307 -.0482 .5005 .2719 -.1679 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 -.1229 -.6945 -.1026 .5146 .2574 -.3343 44 ASP 44 -.6569 -.5059 999.9900 999.9900 -.4783 -.5470 .1413 .4646 .3299 -.2071 45 TYR 45 -.3830 .4960 999.9900 999.9900 .6556 .2562 .2815 .3926 .3463 .2885 46 SER 46 .2458 999.9900 -.7153 999.9900 .6705 .0670 .4428 .5777 .5215 .2443 47 GLY 47 .1123 999.9900 999.9900 999.9900 .0351 .0737 .0836 .6755 .4124 .2266 48 ARG 48 -.3796 -.2334 999.9900 .6901 .4837 .2502 .1179 .5614 .3766 .2757 49 SER 49 -.0741 999.9900 .3727 999.9900 .7576 .3521 .0121 .6069 .3590 .3350 50 TRP 50 -.6038 -.8273 999.9900 999.9900 -.1614 -.5308 -.1213 .5966 .2975 -.2234 51 THR 51 -.2319 999.9900 .2916 999.9900 -1.6680 -.5361 -.3586 .3491 .0542 -.3236 52 VAL 52 -.3637 999.9900 1.1129 999.9900 .5258 .4250 -.3153 .3816 .0912 .2683 53 ARG 53 -.4945 .8761 999.9900 .1593 .5247 .2450 -.3959 .4672 .1076 .1852 54 MET 54 -.1559 .5321 999.9900 .9587 .6113 .4866 .2275 .5316 .4049 .4509 55 LYS 55 -.3099 .8340 999.9900 .4411 -2.6618 -.2511 .0691 .6212 .3911 -.0807 56 LYS 56 -1.2486 .4083 999.9900 .5131 .2547 .0881 -5.5503 .1883 -2.2028 -.7030 57 ARG 57 -1.4318 .7158 999.9900 .5548 .7064 .2200 -.2779 .4958 .1734 .1883 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 -.0631 -.9208 -.2554 .6898 .2697 -.3518 59 GLU 59 -1.0162 -1.4588 999.9900 -1.0323 .1264 -.8452 .1636 .6606 .4535 -.4261 60 LYS 60 -.2978 .7597 999.9900 .3546 .8827 .4108 .3663 .5031 .4461 .4176 61 VAL 61 -.5494 999.9900 -.2457 999.9900 .4989 -.0987 -.0311 .5173 .2888 .0380 62 PHE 62 -.0244 .1033 999.9900 999.9900 -2.2412 -.7208 -.2406 .5129 .1990 -.3780 63 LEU 63 -1.0430 -1.4996 999.9900 999.9900 -3.2047 -1.9157 -.4978 -.2678 -.3636 -1.3026 64 THR 64 -2.4269 999.9900 -.8810 999.9900 -.8522 -1.3867 -.3663 -.9994 -.7356 -1.1052 65 VAL 65 -1.7159 999.9900 .8055 999.9900 -1.8525 -.9210 -1.6195 .3684 -.4599 -.8028 66 GLY 66 -2.2927 999.9900 999.9900 999.9900 -2.0052 -2.1490 -1.2871 -.3138 -.7464 -1.4747 67 TRP 67 .2222 -.3018 999.9900 999.9900 -.1614 -.0803 .4407 .5495 .5042 .1498 68 GLU 68 .4426 -.5578 999.9900 -1.0323 .3899 -.1894 .2996 .1672 .2224 -.0485 69 ASN 69 .7786 .1037 999.9900 999.9900 .8079 .5634 -.9025 .4303 -.1250 .2436 70 PHE 70 .6259 .7639 999.9900 999.9900 .1482 .5126 .4518 .5839 .5289 .5147 71 VAL 71 .7260 999.9900 -1.0788 999.9900 .5258 .0577 -.9150 .4824 -.0998 -.0519 72 LYS 72 .6751 .5211 999.9900 .3240 -1.4057 .0877 .6377 .5222 .5703 .2283 73 ASP 73 .2706 -.2599 999.9900 999.9900 .7118 .2408 .4086 .1027 .2302 .2468 74 ASN 74 -.8722 -.3237 999.9900 999.9900 -.4633 -.5531 .6297 .5028 .5557 -.1053 75 ASN 75 -3.4329 -.3237 999.9900 999.9900 -1.0852 -1.6139 .0760 .1112 .0966 -.9309 76 LEU 76 -.9033 -2.4128 999.9900 999.9900 -.9806 -1.4322 -.3129 -.1633 -.2256 -.9546 77 GLU 77 -1.1499 1.0525 999.9900 .3501 .3223 .1438 .2883 .5530 .4427 .2361 78 ASP 78 -.7312 -1.1646 999.9900 999.9900 .6310 -.4216 .0652 .2841 .1929 -.1831 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .2782 -.8329 .4104 .6831 .5619 -.1431 80 LYS 80 -.3811 1.1488 999.9900 .1731 -.4892 .1249 .1097 .5555 .3697 .1843 81 TYR 81 .0406 .8258 999.9900 999.9900 .8158 .5607 -1.2563 .6065 -.1697 .2065 82 LEU 82 -.1655 -1.9410 999.9900 999.9900 .5293 -.5257 -.6379 .1472 -.1799 -.4136 83 GLN 83 -.2750 .8911 999.9900 1.3059 -.2736 .4121 -1.3191 .4084 -.3114 .1229 84 PHE 84 -.2457 .8160 999.9900 999.9900 .0736 .2147 -1.9880 .4703 -.5540 -.1747 85 ILE 85 -.0022 -.0414 999.9900 999.9900 -.4906 -.1781 -1.5479 .3062 -.4663 -.3552 86 TYR 86 -.0287 .2884 999.9900 999.9900 -1.9776 -.5726 .0182 -.0535 -.0236 -.3506 87 ASP 87 -.3102 -.4551 999.9900 999.9900 -.0689 -.2781 .2383 .4947 .3879 -.0202 88 ARG 88 -1.5415 -.7463 999.9900 .1593 .7064 -.2526 -.2680 .0766 -.0670 -.2077 89 ASP 89 -1.8260 -1.0010 999.9900 999.9900 -1.8780 -1.5683 -2.6165 -.0970 -1.1467 -1.4837 90 ARG 90 -.5383 .8024 999.9900 .1593 -.2445 .0676 .2249 -.0129 .0862 .0786 91 THR 91 -.1996 999.9900 -.2947 999.9900 -.2561 -.2501 .2497 .5031 .3975 .0005 92 PHE 92 .1097 .1608 999.9900 999.9900 -1.5955 -.4417 .3316 .5685 .4698 -.0850 93 TYR 93 .2641 .5297 999.9900 999.9900 -.4027 .1304 .3275 .3446 .3374 .2126 94 VAL 94 .5332 999.9900 .8055 999.9900 -.5257 .2710 .5105 .6207 .5748 .3888 95 ILE 95 .3408 -2.2551 999.9900 999.9900 .4089 -.5018 .0858 .3649 .2486 -.2109 96 ILE 96 .4877 -.4893 999.9900 999.9900 .9338 .3108 -.1065 .6037 .3078 .2859 97 TYR 97 -.3077 -.3906 999.9900 999.9900 .6556 -.0142 -.2255 .5255 .2126 .0514 98 GLY 98 -2.4582 999.9900 999.9900 999.9900 -.8367 -1.6474 -.0851 .0623 -.0032 -.8294 99 HIS 99 -2.5191 .2436 999.9900 999.9900 .5967 -.5596 -.2759 .0018 -.1139 -.3906 100 ASN 100 -.4415 .1037 999.9900 999.9900 -.1777 -.1718 .1376 .4871 .3415 .0219 101 MET 101 -2.2339 .5321 999.9900 .9587 .9122 .0423 -.0965 .6278 .3260 .1167 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.0587 .2559 .1211 .1090 Means: -.4682 -.2418 -.2187 .3448 -.1837 -.2219 -.1287 .3782 .1660 -.0886 2.00 refined_10