1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6695 .5052 .5799 .1172 2 ALA 2 -1.2072 999.9900 999.9900 999.9900 .7458 -.2307 .6711 .3100 .4605 .1299 3 ASP 3 -3.3417 -2.8653 999.9900 999.9900 .8104 -1.7989 .6752 .3699 .4971 -.8703 4 THR 4 -3.2663 999.9900 .0483 999.9900 .4476 -.9235 .6564 -.2539 .1254 -.4736 5 GLY 5 -.7885 999.9900 999.9900 999.9900 .7883 -.0001 .5772 .4619 .5131 .2597 6 GLU 6 -2.8104 -1.9198 999.9900 -1.0323 .6899 -1.2682 .6749 .5225 .5860 -.6459 7 VAL 7 -.0463 999.9900 -.5532 999.9900 .7810 .0605 .6607 .1328 .3527 .1950 8 GLN 8 -.3535 -1.3011 999.9900 1.3059 .5113 .0407 .6740 .5193 .5838 .2260 9 PHE 9 -.9952 -1.7109 999.9900 999.9900 .7573 -.6496 .6747 .1045 .3421 -.2339 10 MET 10 -.3503 -2.5481 999.9900 .9587 .5203 -.3549 .6766 .5193 .5849 -.0373 11 LYS 11 -.6340 -.7918 999.9900 .4996 .7460 .0639 .4869 .1613 .2969 .1382 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5474 -.3696 .0125 .2505 13 PHE 13 -.0017 -3.6820 999.9900 999.9900 .7573 -.9755 .6727 .1059 .3421 -.4296 14 ILE 14 .1597 .0606 999.9900 999.9900 .6034 .2746 .6621 .0513 .3058 .3074 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6714 .5247 .5858 .2580 16 GLU 16 .8171 -.5367 999.9900 -1.0323 .6899 -.0155 .6800 .5172 .5850 .1892 17 LYS 17 -1.1367 -1.6955 999.9900 -.4035 .7460 -.5786 .6720 .1442 .3641 -.2967 18 SER 18 .1178 999.9900 -.7153 999.9900 .6705 .0243 .6817 .5369 .5972 .2583 19 SER 19 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6749 .5300 .5904 .3716 20 LYS 20 -2.7709 -.9566 999.9900 .3546 .7460 -.4544 .6760 .1604 .3753 -.2051 21 SER 21 .0184 999.9900 -.7153 999.9900 .6705 -.0088 .6763 .5323 .5923 .2364 22 LEU 22 -.0411 .5563 999.9900 999.9900 .9565 .4906 .6756 .1627 .3764 .4620 23 GLU 23 -.4325 -1.2470 999.9900 .3501 .6899 -.1599 .6766 .5149 .5822 .0920 24 ILE 24 .0813 -1.5368 999.9900 999.9900 .6034 -.2840 .4828 .0379 .2233 -.0663 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5444 -.3568 .0187 .2642 26 LEU 26 .4996 -1.4262 999.9900 999.9900 .9565 .0100 .6776 .1645 .3783 .1744 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5787 .4556 .5103 .4990 28 PHE 28 -.5116 -1.8165 999.9900 999.9900 .7573 -.5236 .6797 .0979 .3404 -.1586 29 ASN 29 .6990 -1.5725 999.9900 999.9900 .7518 -.0406 .6799 .3764 .5029 .1869 30 GLU 30 -.3243 -.6748 999.9900 -1.0323 .6899 -.3354 .6777 .5251 .5887 -.0231 31 TYR 31 -.0083 -4.1972 999.9900 999.9900 .5630 -1.2142 .6766 -.1807 .1765 -.6293 32 PHE 32 -3.6149 -.9090 999.9900 999.9900 .7573 -1.2555 .4883 .0949 .2588 -.6367 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5468 -.3598 .0179 .2528 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4853 .3194 .3885 .2768 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5355 -.3776 .0029 .2568 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4812 .0927 .2546 -.2172 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5351 -.3688 .0078 .2009 38 ILE 38 -.2490 -.5232 999.9900 999.9900 .6034 -.0563 .6611 .0480 .3034 .1080 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6597 -.2476 .1305 -.1160 40 VAL 40 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6615 .1351 .3544 .0881 41 ASP 41 -.6569 -1.5978 999.9900 999.9900 .8104 -.4814 .6789 .3889 .5097 -.0753 42 LEU 42 -.3571 .0414 999.9900 999.9900 .9565 .2136 .6690 .1551 .3692 .2930 43 LEU 43 .0291 -3.3760 999.9900 999.9900 .9565 -.7968 .6765 .1655 .3784 -.3097 44 ASP 44 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6763 .3806 .5038 -.6769 45 TYR 45 -3.6999 -.3906 999.9900 999.9900 .5630 -1.1758 .6776 -.1682 .1842 -.6036 46 SER 46 -2.9368 999.9900 1.0592 999.9900 .6705 -.4024 .6753 .5322 .5918 .0001 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5885 .4777 .5270 -.1509 48 ARG 48 -.5733 -1.4154 999.9900 .1593 .8581 -.1624 .6770 .5238 .5876 .0555 49 SER 49 -.0526 999.9900 -.7153 999.9900 .6705 -.0325 .6801 .5379 .5971 .2241 50 TRP 50 -.5632 -.6490 999.9900 999.9900 .9378 -.0915 .6739 .1870 .3898 .1173 51 THR 51 .2184 999.9900 -.2947 999.9900 .4476 .1237 .6603 -.2362 .1373 .1591 52 VAL 52 -.1853 999.9900 -1.0788 999.9900 .7810 -.1610 .6584 .1347 .3529 .0620 53 ARG 53 -.5160 -1.8960 999.9900 .1593 .8581 -.2470 .6777 .5216 .5866 -.0051 54 MET 54 -.0824 .1642 999.9900 .9587 .5203 .3902 .6757 .5184 .5839 .4591 55 LYS 55 -.4160 -2.4344 999.9900 .1140 .7460 -.3753 .6744 .1638 .3766 -.1483 56 LYS 56 -.3543 -1.8181 999.9900 .5368 .7460 -.0706 .6798 .1626 .3781 .0700 57 ARG 57 -.8609 -2.0954 999.9900 .1593 .8581 -.3559 .6834 .5231 .5899 -.0819 58 GLY 58 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .5858 .4672 .5199 .1442 59 GLU 59 -1.0162 .4864 999.9900 -1.0323 .6899 -.2181 .6750 .5175 .5831 .0534 60 LYS 60 -.4529 -.8530 999.9900 .4411 .7460 .0645 .6793 .1661 .3799 .1668 61 VAL 61 -.0582 999.9900 -.2457 999.9900 .7810 .1590 .6584 .1114 .3393 .2494 62 PHE 62 -.2058 -4.3038 999.9900 999.9900 .7573 -1.2508 .6746 .1009 .3399 -.5954 63 LEU 63 -.7094 -3.3760 999.9900 999.9900 .9565 -1.0430 .6729 .1537 .3700 -.4605 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6549 -.2496 .1273 -.8469 65 VAL 65 -1.2071 999.9900 -.2457 999.9900 .7810 -.2239 .6576 .1151 .3411 .0202 66 GLY 66 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5852 .4661 .5190 -.2080 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6825 .1879 .3940 -.4540 68 GLU 68 .8171 -.2533 999.9900 -1.0323 .6899 .0553 .6784 .5217 .5870 .2369 69 ASN 69 1.1117 .9797 999.9900 999.9900 .7518 .9478 .6773 .3794 .5035 .7800 70 PHE 70 .8041 .3244 999.9900 999.9900 .7573 .6286 .6770 .0943 .3371 .5314 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6584 .1264 .3481 .2941 72 LYS 72 .6780 -.4721 999.9900 -.0397 .7460 .1745 .6745 .1517 .3696 .2427 73 ASP 73 .9921 -2.6388 999.9900 999.9900 .8104 -.2788 .6748 .3695 .4967 .0416 74 ASN 74 .2737 -3.3254 999.9900 999.9900 .7518 -.7666 .6834 .3865 .5102 -.2460 75 ASN 75 -.6487 .2165 999.9900 999.9900 .7518 .1065 .6778 .3798 .5040 .2754 76 LEU 76 .0291 -2.9612 999.9900 999.9900 .9565 -.6585 .6794 .1528 .3722 -.2287 77 GLU 77 -1.1499 .8034 999.9900 .3501 .6899 .1734 .6785 .5182 .5850 .3150 78 ASP 78 -.9954 -1.0260 999.9900 999.9900 .8104 -.4037 .6740 .3787 .5017 -.0317 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5832 .4790 .5253 -.1106 80 LYS 80 -.7292 -1.2879 999.9900 .3546 .7460 -.1123 .6783 .1582 .3749 .0392 81 TYR 81 .2346 -1.2283 999.9900 999.9900 .5630 -.1436 .6786 -.1706 .1833 .0154 82 LEU 82 -.3571 -1.8410 999.9900 999.9900 .9565 -.4139 .6756 .1555 .3722 -.0821 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6835 .5172 .5865 .0205 84 PHE 84 -.2457 -.9296 999.9900 999.9900 .7573 -.1393 .6767 .0990 .3397 .0715 85 ILE 85 .3543 -1.4972 999.9900 999.9900 .6034 -.1798 .6576 .0370 .2956 .0310 86 TYR 86 .4225 .7421 999.9900 999.9900 .5630 .5758 .6747 -.1634 .1858 .4478 87 ASP 87 -2.5838 -1.7105 999.9900 999.9900 .8104 -1.1613 .6783 .3856 .5076 -.4840 88 ARG 88 -2.9267 -1.8960 999.9900 .1593 .8581 -.7292 .6736 .5185 .5831 -.3505 89 ASP 89 -2.8635 -1.5978 999.9900 999.9900 .8104 -1.2170 .6766 .3850 .5065 -.5179 90 ARG 90 -2.5097 -1.5080 999.9900 1.0005 .8581 -.2317 .6762 .5216 .5860 .0056 91 THR 91 .3363 999.9900 .0483 999.9900 .4476 .2774 .6575 -.2420 .1328 .2495 92 PHE 92 .0900 .8160 999.9900 999.9900 .7573 .5544 .6797 .1003 .3417 .4887 93 TYR 93 .0500 .2608 999.9900 999.9900 .5630 .2913 .6726 -.1957 .1661 .2701 94 VAL 94 -.3909 999.9900 -.5532 999.9900 .7810 -.0544 .6554 .1256 .3463 .1236 95 ILE 95 -.7007 -.2165 999.9900 999.9900 .6034 -.1046 .6529 .0394 .2950 .0757 96 ILE 96 .0813 -2.0226 999.9900 999.9900 .6034 -.4460 .6553 .0478 .3009 -.1270 97 TYR 97 -.0819 .8376 999.9900 999.9900 .5630 .4395 .6792 -.1766 .1800 .3642 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5828 .4714 .5209 -.4110 99 HIS 99 -3.0884 -.3484 999.9900 999.9900 .6686 -.9227 .6765 .3217 .4695 -.3540 100 ASN 100 -.3337 -2.3357 999.9900 999.9900 .7518 -.6392 .6713 .3822 .5027 -.1728 101 MET 101 -.5881 -2.5481 999.9900 .9587 .5203 -.4143 .6727 .5136 .5799 -.0785 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6780 .2542 .4359 .3540 Means: -.6666 -1.3661 -.4833 .2301 .7095 -.2727 .6519 .2125 .3964 -.0015 2.00 analyzed_6