1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6682 .5016 .5773 .0201 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6693 .3248 .4683 -.1753 3 ASP 3 -3.3417 -1.1646 999.9900 999.9900 .8104 -1.2320 .6731 .3791 .5016 -.5287 4 THR 4 .1314 999.9900 -.2947 999.9900 .4476 .0948 .6538 -.2629 .1190 .1350 5 GLY 5 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .5742 .4599 .5107 .2146 6 GLU 6 -3.2255 -.7564 999.9900 -1.0323 .6899 -1.0811 .6782 .5283 .5907 -.5196 7 VAL 7 -.0463 999.9900 -.0276 999.9900 .7810 .2357 .6512 .1216 .3423 .2960 8 GLN 8 -1.3658 -2.6982 999.9900 1.3059 .5113 -.5617 .6816 .5202 .5875 -.1742 9 PHE 9 -.6363 -.0090 999.9900 999.9900 .7573 .0374 .6768 .1016 .3413 .1781 10 MET 10 -.2142 -2.0676 999.9900 .9587 .5203 -.2007 .6806 .5190 .5863 .0661 11 LYS 11 -.8267 -2.1617 999.9900 .3546 .7460 -.3066 .5016 .1560 .3000 -.1251 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5369 -.3852 -.0010 .2439 13 PHE 13 -.0400 -1.8165 999.9900 999.9900 .7573 -.3664 .6748 .0991 .3390 -.0651 14 ILE 14 .0187 -.2003 999.9900 999.9900 .6034 .1406 .6523 .0429 .2968 .2234 15 SER 15 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6767 .5349 .5940 .3608 16 GLU 16 .8171 -2.1111 999.9900 -1.0323 .6899 -.4091 .6716 .5222 .5845 -.0738 17 LYS 17 -2.0221 -1.2293 999.9900 .1140 .7460 -.4555 .6801 .1573 .3752 -.2057 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6751 .5242 .5871 .2586 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6791 .5353 .5952 .2657 20 LYS 20 -3.5196 -.7918 999.9900 -.4035 .7460 -.8745 .6762 .1561 .3728 -.5057 21 SER 21 -.7443 999.9900 -.7153 999.9900 .6705 -.2630 .6760 .5296 .5906 .0833 22 LEU 22 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .6774 .1582 .3746 -.3052 23 GLU 23 -.5440 -1.1358 999.9900 -1.0323 .6899 -.5056 .6746 .5249 .5873 -.1371 24 ILE 24 .0813 -.1188 999.9900 999.9900 .6034 .1886 .4696 .0511 .2255 .2173 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5342 -.3700 .0067 .2471 26 LEU 26 .0133 -1.0979 999.9900 999.9900 .9565 -.0427 .6789 .1491 .3698 .1400 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5738 .4670 .5145 .3708 28 PHE 28 -1.3242 -2.1527 999.9900 999.9900 .7573 -.9065 .6776 .1053 .3437 -.3873 29 ASN 29 1.1272 .0628 999.9900 999.9900 .7518 .6473 .6773 .3806 .5042 .5999 30 GLU 30 .0468 -.7859 999.9900 1.7325 .6899 .4208 .6753 .5268 .5887 .4809 31 TYR 31 .3338 -2.4815 999.9900 999.9900 .5630 -.5283 .6783 -.1646 .1866 -.2142 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4806 .0980 .2574 -.5543 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5380 -.3588 .0149 .2508 34 ALA 34 -.7637 999.9900 999.9900 999.9900 .7458 -.0090 .4842 .3194 .3881 .1964 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5438 -.3688 .0115 .2611 36 PHE 36 -1.5081 -4.3038 999.9900 999.9900 .7573 -1.6849 .4859 .1007 .2612 -.8936 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5617 -.3762 .0146 .2058 38 ILE 38 -1.4718 -1.4972 999.9900 999.9900 .6034 -.7885 .6545 .0449 .2989 -.3332 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6591 -.2601 .1229 -.1686 40 VAL 40 -.0523 999.9900 .7395 999.9900 .7810 .4894 .6602 .1131 .3410 .4483 41 ASP 41 -.9091 -.3198 999.9900 999.9900 .8104 -.1395 .6745 .3730 .4986 .1258 42 LEU 42 .0291 -2.9612 999.9900 999.9900 .9565 -.6585 .6771 .1488 .3689 -.2300 43 LEU 43 .0291 -2.4128 999.9900 999.9900 .9565 -.4757 .6810 .1513 .3720 -.1190 44 ASP 44 -1.5212 -1.7735 999.9900 999.9900 .8104 -.8281 .6723 .3725 .4974 -.2879 45 TYR 45 -3.6999 -.4266 999.9900 999.9900 .5630 -1.1878 .6736 -.1854 .1725 -.6150 46 SER 46 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6749 .5239 .5868 -.3566 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5762 .4697 .5171 -.1560 48 ARG 48 -.5733 -1.2607 999.9900 .5548 .8581 .0267 .6744 .5183 .5833 .1895 49 SER 49 -.0526 999.9900 -.7153 999.9900 .6705 -.0325 .6749 .5314 .5912 .2218 50 TRP 50 -.5632 -.6490 999.9900 999.9900 .9378 -.0915 .6826 .1930 .3970 .1202 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6520 -.2646 .1173 .0295 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6601 .1307 .3513 .0870 53 ARG 53 -.5160 -2.8571 999.9900 .1593 .8581 -.4393 .6806 .5148 .5839 -.1430 54 MET 54 -.1025 -2.5481 999.9900 .9587 .5203 -.2929 .6765 .5125 .5808 .0029 55 LYS 55 -.4160 .4603 999.9900 -.4035 .7460 -.0033 .6778 .1563 .3736 .1168 56 LYS 56 -.3543 -2.1617 999.9900 -.4035 .7460 -.5154 .6719 .1601 .3733 -.2493 57 ARG 57 -1.0405 -2.8571 999.9900 .5548 .8581 -.3860 .6714 .5217 .5841 -.1053 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5785 .4741 .5205 .3539 59 GLU 59 -.7734 -1.7714 999.9900 .3501 .6899 -.3762 .6763 .5197 .5849 -.0515 60 LYS 60 -.2512 -2.9005 999.9900 -.4035 .7460 -.6425 .6760 .1588 .3743 -.3397 61 VAL 61 .3116 999.9900 -.0276 999.9900 .7810 .3550 .6533 .1226 .3437 .3682 62 PHE 62 -.3916 .0967 999.9900 999.9900 .7573 .1541 .6747 .0912 .3343 .2457 63 LEU 63 -.7094 -1.5262 999.9900 999.9900 .9565 -.4264 .6787 .1688 .3813 -.0863 64 THR 64 -4.2065 999.9900 .6346 999.9900 .4476 -1.0415 .6524 -.2582 .1212 -.5460 65 VAL 65 -1.2071 999.9900 .8055 999.9900 .7810 .1265 .6535 .1250 .3452 .2316 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5786 .4769 .5221 -.1536 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6800 .1936 .3963 -.4534 68 GLU 68 .8733 -1.1891 999.9900 1.1588 .6899 .3832 .6753 .5187 .5839 .4545 69 ASN 69 1.1272 -2.0766 999.9900 999.9900 .7518 -.0658 .6728 .3785 .5011 .1707 70 PHE 70 .8041 -.1636 999.9900 999.9900 .7573 .4660 .6767 .1011 .3409 .4351 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6583 .1205 .3446 .2929 72 LYS 72 .6780 -1.4228 999.9900 -.4035 .7460 -.1612 .6747 .1495 .3684 .0026 73 ASP 73 .2706 -1.7105 999.9900 999.9900 .8104 -.2098 .6809 .3825 .5068 .0868 74 ASN 74 .5247 -1.0148 999.9900 999.9900 .7518 .0872 .6805 .3878 .5097 .2660 75 ASN 75 -2.5793 -3.3254 999.9900 999.9900 .7518 -1.7176 .6781 .3899 .5100 -.8170 76 LEU 76 .0986 .8710 999.9900 999.9900 .9565 .6420 .6760 .1539 .3715 .5512 77 GLU 77 -1.2742 -2.8418 999.9900 -1.0323 .6899 -1.1146 .6781 .5245 .5885 -.5426 78 ASP 78 -.9954 -1.5978 999.9900 999.9900 .8104 -.5943 .6765 .3911 .5100 -.1430 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5849 .4703 .5212 -.1123 80 LYS 80 -.7762 .4914 999.9900 -.4035 .7460 -.0692 .6782 .1737 .3839 .0723 81 TYR 81 .6005 -.6325 999.9900 999.9900 .5630 .1770 .6745 -.1976 .1658 .2016 82 LEU 82 -.4552 -2.5464 999.9900 999.9900 .9565 -.6817 .6822 .1402 .3660 -.2445 83 GLN 83 -.1966 -1.7668 999.9900 1.3059 .5113 -.0365 .6718 .5141 .5798 .1733 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6776 .1047 .3434 -.6020 85 ILE 85 .2593 .6227 999.9900 999.9900 .6034 .4951 .6508 .0494 .3000 .4371 86 TYR 86 .3981 -1.8704 999.9900 999.9900 .5630 -.3031 .6714 -.1696 .1808 -.0815 87 ASP 87 -1.2094 -1.6521 999.9900 999.9900 .8104 -.6837 .6776 .3799 .5040 -.1987 88 ARG 88 -1.4842 -1.2607 999.9900 .1593 .8581 -.3136 .6800 .5113 .5816 -.0538 89 ASP 89 -2.8635 -1.7735 999.9900 999.9900 .8104 -1.2755 .6726 .3802 .5020 -.5548 90 ARG 90 -1.6758 -1.1946 999.9900 .1593 .8581 -.3387 .6750 .5070 .5770 -.0731 91 THR 91 .3017 999.9900 -.8810 999.9900 .4476 -.0439 .6535 -.2603 .1204 .0523 92 PHE 92 -.0017 .0765 999.9900 999.9900 .7573 .2774 .6778 .1109 .3471 .3242 93 TYR 93 .2641 -.3674 999.9900 999.9900 .5630 .1532 .6747 -.1785 .1770 .1912 94 VAL 94 .3372 999.9900 .7395 999.9900 .7810 .6192 .6566 .1144 .3403 .5258 95 ILE 95 -.6113 -1.2776 999.9900 999.9900 .6034 -.4285 .6572 .0417 .2981 -.1173 96 ILE 96 .2593 -1.5368 999.9900 999.9900 .6034 -.2247 .6670 .0376 .2998 .0061 97 TYR 97 -.0819 .2608 999.9900 999.9900 .5630 .2473 .6707 -.1565 .1882 .2512 98 GLY 98 -.7321 999.9900 999.9900 999.9900 .7883 .0281 .5808 .4693 .5189 .2766 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6747 .3168 .4659 -.9073 100 ASN 100 -3.4329 -2.7010 999.9900 999.9900 .7518 -1.7940 .6757 .3805 .5035 -.8652 101 MET 101 -.2651 -1.3058 999.9900 .9587 .5203 -.0230 .6811 .5169 .5853 .1843 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6753 .2573 .4364 .3541 Means: -.6718 -1.5086 -.3365 .1238 .7095 -.3084 .6511 .2112 .3953 -.0239 2.00 analyzed_6