1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6733 .4979 .5776 .0204 2 ALA 2 -.5544 999.9900 999.9900 999.9900 .7458 .0957 .6678 .3203 .4651 .2949 3 ASP 3 -1.2415 -2.4630 999.9900 999.9900 .8104 -.9647 .6794 .3972 .5148 -.3635 4 THR 4 -.3846 999.9900 .7650 999.9900 .4476 .2760 .6512 -.2474 .1270 .2464 5 GLY 5 -.3042 999.9900 999.9900 999.9900 .7883 .2420 .5918 .4672 .5226 .3858 6 GLU 6 -3.2255 .5420 999.9900 -1.0323 .6899 -.7565 .6807 .5213 .5877 -.3040 7 VAL 7 .0815 999.9900 -.2457 999.9900 .7810 .2056 .6584 .1181 .3432 .2787 8 GLN 8 -.6340 -.2368 999.9900 1.3059 .5113 .2366 .6769 .5227 .5869 .3577 9 PHE 9 -.6363 .5389 999.9900 999.9900 .7573 .2200 .6772 .0946 .3374 .2863 10 MET 10 -.1902 -.6706 999.9900 .9587 .5203 .1546 .6783 .5119 .5812 .3014 11 LYS 11 -.2345 .1550 999.9900 .1140 .7460 .1789 .4955 .1493 .2936 .2199 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5398 -.3995 -.0081 .2411 13 PHE 13 -.2255 -4.3038 999.9900 999.9900 .7573 -1.2573 .6775 .1036 .3428 -.5982 14 ILE 14 .4877 -.5821 999.9900 999.9900 .6034 .1697 .6595 .0297 .2921 .2396 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6817 .5394 .5987 .3281 16 GLU 16 1.0761 -.5367 999.9900 -1.0323 .6899 .0492 .6810 .5286 .5921 .2344 17 LYS 17 -2.0221 -1.4228 999.9900 -.0397 .7460 -.5557 .6749 .1636 .3766 -.2771 18 SER 18 -.6212 999.9900 -.0289 999.9900 .6705 .0068 .6789 .5367 .5959 .2472 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6716 .5270 .5873 .2626 20 LYS 20 -3.5196 -2.4344 999.9900 .1731 .7460 -.9724 .6749 .1514 .3695 -.5765 21 SER 21 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6711 .5191 .5824 .1594 22 LEU 22 -.3112 -3.3760 999.9900 999.9900 .9565 -.9102 .6787 .1652 .3792 -.3774 23 GLU 23 -.7347 -1.7714 999.9900 -1.0323 .6899 -.7121 .6803 .5239 .5891 -.2741 24 ILE 24 .2593 -.9493 999.9900 999.9900 .6034 -.0289 .4855 .0435 .2276 .0885 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5489 -.3773 .0086 .1583 26 LEU 26 -.5228 -1.5832 999.9900 999.9900 .9565 -.3832 .6749 .1386 .3621 -.0672 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5771 .4792 .5227 .5045 28 PHE 28 -.7647 -1.0890 999.9900 999.9900 .7573 -.3655 .6755 .1052 .3428 -.0631 29 ASN 29 .6990 -.0726 999.9900 999.9900 .7518 .4594 .6779 .3842 .5066 .4881 30 GLU 30 .0468 .5461 999.9900 -1.0323 .6899 .0626 .6773 .5162 .5833 .2407 31 TYR 31 .3338 -1.2913 999.9900 999.9900 .5630 -.1315 .6716 -.1813 .1741 .0191 32 PHE 32 -3.6149 -1.3145 999.9900 999.9900 .7573 -1.3907 .4870 .0925 .2569 -.7185 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5550 -.3550 .0242 .2560 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4856 .3167 .3871 .2762 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5395 -.4113 -.0152 .2494 36 PHE 36 -1.5081 -4.3038 999.9900 999.9900 .7573 -1.6849 .4891 .1069 .2661 -.8917 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5330 -.3655 .0089 .2592 38 ILE 38 -.2490 -1.4972 999.9900 999.9900 .6034 -.3809 .6622 .0475 .3037 -.0866 39 THR 39 -.5585 999.9900 -.2947 999.9900 .4476 -.1352 .6537 -.2530 .1248 -.0010 40 VAL 40 -.0145 999.9900 .3968 999.9900 .7810 .3878 .6559 .1275 .3477 .3893 41 ASP 41 -.6569 -2.0928 999.9900 999.9900 .8104 -.6465 .6787 .3824 .5059 -.1757 42 LEU 42 -.3075 .0414 999.9900 999.9900 .9565 .2301 .6676 .1681 .3762 .3052 43 LEU 43 -.1196 -3.3760 999.9900 999.9900 .9565 -.8463 .6783 .1634 .3779 -.3395 44 ASP 44 -1.3478 -.3623 999.9900 999.9900 .8104 -.2999 .6777 .3853 .5071 .0326 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6754 -.1776 .1778 -1.3673 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6728 .5373 .5938 -.5189 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5749 .4594 .5107 -.0304 48 ARG 48 -.5733 -1.6149 999.9900 .1593 .8581 -.2023 .6703 .5134 .5788 .0246 49 SER 49 -1.0548 999.9900 .8786 999.9900 .6705 .1648 .6777 .5246 .5884 .3393 50 TRP 50 .0682 -.0403 999.9900 999.9900 .9378 .3219 .6802 .1806 .3888 .3653 51 THR 51 .1937 999.9900 -.8810 999.9900 .4476 -.0799 .6512 -.2505 .1252 .0322 52 VAL 52 -.1853 999.9900 -.2457 999.9900 .7810 .1167 .6533 .1152 .3394 .2237 53 ARG 53 -.4063 -2.3766 999.9900 1.0005 .8581 .0153 .6764 .5115 .5802 .1806 54 MET 54 -.1902 .2176 999.9900 .9587 .5203 .3766 .6758 .5195 .5846 .4503 55 LYS 55 -.8267 .4603 999.9900 -.0397 .7460 .0600 .6799 .1515 .3717 .1616 56 LYS 56 -.3543 -.9566 999.9900 -.4035 .7460 -.2744 .6790 .1476 .3690 -.0779 57 ARG 57 -1.4318 -.7140 999.9900 .1593 .8581 -.1938 .6682 .5069 .5741 .0294 58 GLY 58 -.4748 999.9900 999.9900 999.9900 .7883 .1567 .5749 .4722 .5178 .3401 59 GLU 59 -.6726 -1.6501 999.9900 -1.0323 .6899 -.6663 .6810 .5274 .5914 -.2428 60 LYS 60 -.3038 -2.9005 999.9900 -.4035 .7460 -.6531 .6736 .1653 .3771 -.3466 61 VAL 61 .0764 999.9900 .9224 999.9900 .7810 .5933 .6560 .1244 .3459 .5120 62 PHE 62 -.3916 .6915 999.9900 999.9900 .7573 .3524 .6767 .0876 .3331 .3643 63 LEU 63 -.7582 -2.1315 999.9900 999.9900 .9565 -.6444 .6784 .1687 .3810 -.2172 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6487 -.2440 .1279 -.5748 65 VAL 65 -1.2071 999.9900 -.2457 999.9900 .7810 -.2239 .6641 .1351 .3555 .0255 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5745 .4697 .5163 -.1564 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6732 .1886 .3905 -.4557 68 GLU 68 .6116 -.3249 999.9900 -1.0323 .6899 -.0139 .6747 .5142 .5810 .1889 69 ASN 69 1.3908 -1.8756 999.9900 999.9900 .7518 .0890 .6724 .3750 .4989 .2629 70 PHE 70 .8041 -2.6964 999.9900 999.9900 .7573 -.3783 .6819 .1095 .3480 -.0687 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6573 .1155 .3413 .2917 72 LYS 72 .6780 -.8530 999.9900 .4778 .7460 .3053 .6688 .1578 .3707 .3362 73 ASP 73 .9921 -1.4542 999.9900 999.9900 .8104 .1161 .6829 .3909 .5126 .2844 74 ASN 74 -.1320 -1.3461 999.9900 999.9900 .7518 -.2421 .6816 .3842 .5081 .0679 75 ASN 75 -3.4329 -.2320 999.9900 999.9900 .7518 -.9710 .6807 .3777 .5039 -.3709 76 LEU 76 -1.9664 -2.5464 999.9900 999.9900 .9565 -1.1854 .6790 .1360 .3622 -.5482 77 GLU 77 -1.1499 -1.6501 999.9900 -1.0323 .6899 -.7856 .6766 .5258 .5886 -.3233 78 ASP 78 -1.0430 -3.7306 999.9900 999.9900 .8104 -1.3211 .6751 .3789 .5023 -.5818 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5887 .4795 .5280 -.4075 80 LYS 80 -.5681 .1761 999.9900 .5368 .7460 .2855 .6811 .1523 .3726 .3230 81 TYR 81 -.0390 -.6967 999.9900 999.9900 .5630 -.0576 .6701 -.1819 .1731 .0631 82 LEU 82 -.1655 -.9564 999.9900 999.9900 .9565 -.0552 .6833 .1532 .3741 .1342 83 GLN 83 -.3535 -2.6982 999.9900 1.3059 .5113 -.3086 .6693 .5193 .5818 -.0076 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6802 .0982 .3407 -.6028 85 ILE 85 .2768 -1.5793 999.9900 999.9900 .6034 -.2330 .6598 .0450 .3012 .0011 86 TYR 86 .4043 .5582 999.9900 999.9900 .5630 .5085 .6767 -.1876 .1725 .4029 87 ASP 87 -2.8635 -3.1847 999.9900 999.9900 .8104 -1.7459 .6799 .3793 .5045 -.8357 88 ARG 88 -2.9267 -2.8571 999.9900 .5548 .8581 -.7632 .6731 .5127 .5795 -.3758 89 ASP 89 -3.3417 -1.3712 999.9900 999.9900 .8104 -1.3008 .6816 .3954 .5146 -.5651 90 ARG 90 -2.5097 -.4990 999.9900 .1593 .8581 -.3664 .6771 .5214 .5863 -.0905 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6590 -.2620 .1217 .0616 92 PHE 92 .2013 .8160 999.9900 999.9900 .7573 .5915 .6726 .1085 .3435 .5111 93 TYR 93 .3730 .1211 999.9900 999.9900 .5630 .3523 .6801 -.1711 .1836 .3132 94 VAL 94 -.3909 999.9900 -.0276 999.9900 .7810 .1208 .6533 .1257 .3455 .2283 95 ILE 95 -.9405 -1.4602 999.9900 999.9900 .6034 -.5991 .6606 .0617 .3113 -.2150 96 ILE 96 .2593 -.9348 999.9900 999.9900 .6034 -.0241 .6576 .0472 .3015 .1265 97 TYR 97 -.0495 .8492 999.9900 999.9900 .5630 .4542 .6759 -.1812 .1760 .3715 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5917 .4715 .5249 -.4087 99 HIS 99 -1.2838 -3.1083 999.9900 999.9900 .6686 -1.2412 .6775 .3201 .4690 -.5452 100 ASN 100 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6701 .3715 .4959 -.9930 101 MET 101 -1.5488 -1.5870 999.9900 .9587 .5203 -.4142 .6767 .5115 .5804 -.0781 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6831 .2398 .4298 .3509 Means: -.7321 -1.4174 -.1694 .1056 .7095 -.3001 .6518 .2109 .3954 -.0187 2.00 analyzed_2