1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6781 .5150 .5892 .0248 2 THR 2 -.0475 999.9900 -.8810 999.9900 .4476 -.1603 .6569 -.2589 .1227 -.0166 3 GLU 3 -.8707 -2.3808 999.9900 -1.0323 .6899 -.8985 .6754 .5220 .5860 -.3994 4 VAL 4 -1.2342 999.9900 -1.0788 999.9900 .7810 -.5106 .6554 .1155 .3405 -.1522 5 TYR 5 .2641 -.5033 999.9900 999.9900 .5630 .1079 .6788 -.1897 .1722 .1626 6 ASP 6 -.0745 -1.3328 999.9900 999.9900 .8104 -.1989 .6780 .3780 .5030 .0918 7 LEU 7 -.5127 -2.9612 999.9900 999.9900 .9565 -.8391 .6789 .1463 .3682 -.3384 8 GLU 8 -.6163 -1.4588 999.9900 -1.0323 .6899 -.6044 .6767 .5272 .5895 -.2023 9 ILE 9 .2768 -2.2551 999.9900 999.9900 .6034 -.4583 .6585 .0484 .3026 -.1336 10 THR 10 -1.0285 999.9900 -.8810 999.9900 .4476 -.4873 .6611 -.2615 .1229 -.2125 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6605 -.2714 .1169 -.1706 12 ASN 12 -.6931 -2.7010 999.9900 999.9900 .7518 -.8808 .6779 .3786 .5033 -.3172 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6656 .3218 .4651 .3937 14 THR 14 .2086 999.9900 .4804 999.9900 .4476 .3788 .6643 -.2393 .1372 .3123 15 ASP 15 -.5406 -1.8420 999.9900 999.9900 .8104 -.5241 .6708 .3774 .4996 -.1048 16 PHE 16 -1.3242 -.8691 999.9900 999.9900 .7573 -.4787 .4803 .1081 .2632 -.1695 17 PRO 17 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5365 -.3838 -.0004 .2555 18 MET 18 -.1025 -2.0676 999.9900 .9587 .5203 -.1728 .6739 .5173 .5826 .0834 19 GLU 19 -.4497 -1.1891 999.9900 -1.0323 .6899 -.4953 .6753 .5189 .5841 -.1312 20 LYS 20 -.2978 -2.9005 999.9900 -.4035 .7460 -.6519 .6820 .1682 .3823 -.3442 21 LYS 21 -.2512 .0465 999.9900 -.4035 .7460 -.0531 .6814 .1609 .3777 .0824 22 TYR 22 .0777 -1.3952 999.9900 999.9900 .5630 -.2515 .4881 -.1925 .0910 -.0918 23 PRO 23 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5559 -.3539 .0252 .2678 24 ALA 24 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6704 .3249 .4689 -.2740 25 GLY 25 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5799 .4660 .5166 -.4131 26 MET 26 -2.2339 -2.0676 999.9900 .9587 .5203 -.7056 .6776 .5237 .5878 -.2702 27 SER 27 -.4495 999.9900 -.7153 999.9900 .6705 -.1648 .6732 .5278 .5884 .1413 28 LEU 28 .4996 -1.5832 999.9900 999.9900 .9565 -.0424 .6775 .1631 .3774 .1427 29 ASN 29 .9642 .7281 999.9900 999.9900 .7518 .8147 .6738 .3800 .5024 .6996 30 ASP 30 1.0815 -1.2611 999.9900 999.9900 .8104 .2103 .6777 .3744 .5007 .3366 31 LEU 31 .8475 -2.9612 999.9900 999.9900 .9565 -.3857 .6744 .1556 .3717 -.0654 32 LYS 32 1.0838 -1.5918 999.9900 .9443 .7460 .4253 .6794 .1593 .3760 .4236 33 LYS 33 .9451 -1.6955 999.9900 -.4035 .7460 -.1623 .6786 .1498 .3701 .0024 34 LYS 34 1.0429 -1.9682 999.9900 -.4035 .7460 -.1973 .6754 .1608 .3752 -.0214 35 LEU 35 .6509 -1.7554 999.9900 999.9900 .9565 -.0493 .6768 .1516 .3704 .1361 36 GLU 36 .6833 -1.9198 999.9900 .3501 .6899 -.0491 .6718 .5218 .5843 .1662 37 LEU 37 .8442 -1.7167 999.9900 999.9900 .9565 .0280 .6766 .1572 .3736 .1836 38 VAL 38 .7260 999.9900 .9747 999.9900 .7810 .8273 .6581 .1267 .3482 .6533 39 VAL 39 -1.0844 999.9900 .3968 999.9900 .7810 .0311 .6565 .1180 .3424 .1736 40 GLY 40 -1.1609 999.9900 999.9900 999.9900 .7883 -.1863 .5803 .4696 .5188 .1693 41 THR 41 -1.0935 999.9900 -.2947 999.9900 .4476 -.3135 .6623 -.2698 .1186 -.1096 42 THR 42 -1.3548 999.9900 -.2947 999.9900 .4476 -.4007 .6515 -.2692 .1144 -.1639 43 VAL 43 -1.3694 999.9900 -.2457 999.9900 .7810 -.2780 .6595 .1233 .3467 -.0103 44 ASP 44 -.4946 -3.1847 999.9900 999.9900 .8104 -.9563 .6715 .3677 .4943 -.3659 45 SER 45 -.9598 999.9900 -.0289 999.9900 .6705 -.1061 .6790 .5264 .5899 .1774 46 MET 46 -.2651 -.7698 999.9900 .9587 .5203 .1110 .6731 .5154 .5811 .2721 47 ARG 47 -.0990 -1.6149 999.9900 .1593 .8581 -.1074 .6738 .5256 .5874 .0946 48 ILE 48 .1962 -2.0226 999.9900 999.9900 .6034 -.4077 .6554 .0344 .2932 -.1067 49 GLN 49 -.1803 -2.6982 999.9900 1.3059 .5113 -.2653 .6784 .5134 .5821 .0217 50 LEU 50 -1.0889 -1.9980 999.9900 999.9900 .9565 -.7101 .6731 .1482 .3669 -.2618 51 PHE 51 -.2986 -.7766 999.9900 999.9900 .7573 -.1060 .6784 .1090 .3462 .0939 52 ASP 52 -.7471 -3.7306 999.9900 999.9900 .8104 -1.2224 .6683 .3839 .5024 -.5230 53 GLY 53 -1.5840 999.9900 999.9900 999.9900 .7883 -.3979 .5742 .4593 .5104 .0594 54 ASP 54 -3.3417 -1.4542 999.9900 999.9900 .8104 -1.3285 .6781 .3729 .5001 -.5869 55 ASP 55 -3.3417 -2.0928 999.9900 999.9900 .8104 -1.5414 .6696 .3626 .4905 -.7184 56 GLN 56 -3.1236 -.9251 999.9900 1.3059 .5113 -.5579 .6794 .5148 .5834 -.1729 57 LEU 57 -.2181 -3.3760 999.9900 999.9900 .9565 -.8792 .6798 .1531 .3725 -.3609 58 LYS 58 -.6960 -2.9005 999.9900 .1140 .7460 -.5245 .6739 .1604 .3743 -.2555 59 GLY 59 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .5914 .4645 .5209 .2321 60 GLU 60 -.9070 -1.4588 999.9900 .3501 .6899 -.3314 .6779 .5194 .5854 -.0214 61 LEU 61 -3.7702 -2.9612 999.9900 999.9900 .9565 -1.9249 .6754 .1520 .3701 -.9895 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6523 -.2671 .1160 -.8510 63 ASP 63 -2.1057 -3.7306 999.9900 999.9900 .8104 -1.6753 .6773 .3847 .5066 -.7928 64 GLY 64 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5878 .4732 .5241 -.0237 65 ALA 65 -.1097 999.9900 999.9900 999.9900 .7458 .3180 .6664 .3206 .4647 .4058 66 LYS 66 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6752 .1642 .3771 -.6338 67 SER 67 -.5057 999.9900 -.7153 999.9900 .6705 -.1835 .6780 .5336 .5938 .1322 68 LEU 68 -1.3832 -.9670 999.9900 999.9900 .9565 -.4646 .6801 .1569 .3749 -.1114 69 LYS 69 .6751 -1.6955 999.9900 -.0397 .7460 -.0708 .6813 .1531 .3732 .0686 70 ASP 70 1.1285 -.9083 999.9900 999.9900 .8104 .3436 .6782 .3832 .5061 .4184 71 LEU 71 -.5757 -.6635 999.9900 999.9900 .9565 -.0942 .6734 .1602 .3741 .1102 72 GLY 72 .8874 999.9900 999.9900 999.9900 .7883 .8378 .5794 .4718 .5196 .6817 73 VAL 73 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6526 .1192 .3414 -.7734 74 ARG 74 -2.5097 -.8928 999.9900 1.0005 .8581 -.1087 .6777 .5206 .5861 .0936 75 ASP 75 -.1445 -1.7105 999.9900 999.9900 .8104 -.3482 .6794 .3822 .5060 .0034 76 GLY 76 .6767 999.9900 999.9900 999.9900 .7883 .7325 .5832 .4805 .5261 .6322 77 TYR 77 -.0083 -2.7782 999.9900 999.9900 .5630 -.7412 .6767 -.1611 .1880 -.3416 78 ARG 78 -.4155 -.9348 999.9900 1.0005 .8581 .3018 .6698 .5194 .5820 .3854 79 ILE 79 .3408 .9074 999.9900 999.9900 .6034 .6172 .6577 .0475 .3018 .5114 80 HIS 80 -.1228 -.1773 999.9900 999.9900 .6686 .1228 .6709 .3264 .4700 .2732 81 ALA 81 -.8003 999.9900 999.9900 999.9900 .7458 -.0272 .6669 .3306 .4707 .2358 82 VAL 82 -.4049 999.9900 -.5532 999.9900 .7810 -.0590 .6600 .1188 .3443 .1203 83 ASP 83 -.6028 .2313 999.9900 999.9900 .8104 .1463 .6771 .3882 .5086 .3008 84 VAL 84 -1.2342 999.9900 .4980 999.9900 .7810 .0149 .6571 .1304 .3498 .1665 85 THR 85 .0584 999.9900 -.8810 999.9900 .4476 -.1250 .6572 -.2585 .1230 .0047 86 GLY 86 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5747 .4682 .5156 .2792 87 GLY 87 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .5924 .4870 .5339 .2064 88 ASN 88 -.2782 .9251 999.9900 999.9900 .7518 .4663 .6787 .3851 .5074 .4925 89 GLU 89 -3.2255 -.7281 999.9900 -1.0323 .6899 -1.0740 .6737 .5225 .5855 -.5166 90 ASP 90 999.9900 -3.1847 999.9900 999.9900 999.9900 -3.1847 .6843 .3611 .4996 -.7131 Means: -.6967 -1.6512 -.3923 .1571 .7218 -.3248 .6570 .2316 .4100 -.0265 2.00 analyzed_8