1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6728 .5084 .5832 .1748 2 ALA 2 -1.5408 999.9900 999.9900 999.9900 .7458 -.3975 .6654 .3218 .4650 .0481 3 ASP 3 -.0565 -1.8420 999.9900 999.9900 .8104 -.3627 .6742 .3861 .5062 -.0056 4 THR 4 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6547 -.2525 .1255 -.5753 5 GLY 5 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .5834 .4767 .5241 .3004 6 GLU 6 -.8826 -.3402 999.9900 -1.0323 .6899 -.3913 .6715 .5149 .5802 -.0631 7 VAL 7 -.1853 999.9900 -1.0788 999.9900 .7810 -.1610 .6617 .1269 .3497 .0611 8 GLN 8 -.4791 -.9749 999.9900 1.3059 .5113 .0908 .6744 .5281 .5891 .2610 9 PHE 9 -.1228 -.5453 999.9900 999.9900 .7573 .0297 .6786 .1050 .3440 .1746 10 MET 10 -.2142 -2.5481 999.9900 .9587 .5203 -.3208 .6780 .5143 .5825 -.0152 11 LYS 11 -.5771 -2.4344 999.9900 -.4035 .7460 -.6145 .5049 .1639 .3060 -.3434 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5436 -.3857 .0015 .1549 13 PHE 13 .0900 -4.3038 999.9900 999.9900 .7573 -1.1522 .6833 .1102 .3490 -.5326 14 ILE 14 .2866 .8809 999.9900 999.9900 .6034 .5903 .6549 .0569 .3061 .4965 15 SER 15 .6980 999.9900 -.0289 999.9900 .6705 .4465 .6761 .5343 .5933 .5100 16 GLU 16 .6833 1.0212 999.9900 -1.0323 .6899 .3405 .6796 .5204 .5867 .4270 17 LYS 17 -2.0221 -2.1617 999.9900 .1140 .7460 -.6420 .6771 .1569 .3736 -.3394 18 SER 18 .1386 999.9900 .3727 999.9900 .6705 .3940 .6792 .5277 .5908 .4777 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6809 .5304 .5931 .2651 20 LYS 20 -3.5196 -1.1257 999.9900 .4405 .7460 -.6036 .6754 .1535 .3710 -.3128 21 SER 21 -.7443 999.9900 -.7153 999.9900 .6705 -.2630 .6801 .5353 .5956 .0852 22 LEU 22 -.4552 -3.3760 999.9900 999.9900 .9565 -.9582 .6786 .1578 .3748 -.4077 23 GLU 23 -.5578 -.8834 999.9900 -1.0323 .6899 -.4459 .6788 .5272 .5904 -.0963 24 ILE 24 .2593 -.3653 999.9900 999.9900 .6034 .1658 .4729 .0431 .2221 .2027 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5392 -.3464 .0226 .1636 26 LEU 26 .4996 -2.3037 999.9900 999.9900 .9565 -.2825 .6760 .1656 .3782 -.0012 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5740 .4656 .5138 .5003 28 PHE 28 -1.7494 -.1998 999.9900 999.9900 .7573 -.3973 .6735 .0985 .3381 -.0840 29 ASN 29 1.1272 -1.2512 999.9900 999.9900 .7518 .2093 .6748 .3752 .5000 .3356 30 GLU 30 .0468 -2.3808 999.9900 -1.0323 .6899 -.6691 .6711 .5190 .5824 -.2477 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6767 -.1736 .1807 -.5595 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4941 .1054 .2674 -.5501 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5382 -.3663 .0105 .2490 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4819 .3314 .3941 .2790 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5329 -.3813 -.0004 .2552 36 PHE 36 -1.5081 .0697 999.9900 999.9900 .7573 -.2270 .4652 .0994 .2518 -.0233 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5542 -.3458 .0292 .2115 38 ILE 38 -2.9731 -1.4972 999.9900 999.9900 .6034 -1.2890 .6629 .0379 .2983 -.6332 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6584 -.2716 .1159 -.1210 40 VAL 40 -.3637 999.9900 -1.0788 999.9900 .7810 -.2205 .6585 .1442 .3585 .0282 41 ASP 41 -.5526 -1.4992 999.9900 999.9900 .8104 -.4138 .6821 .3880 .5105 -.0343 42 LEU 42 .0291 .3561 999.9900 999.9900 .9565 .4472 .6739 .1676 .3786 .4367 43 LEU 43 .0762 -2.5464 999.9900 999.9900 .9565 -.5045 .6774 .1564 .3735 -.1360 44 ASP 44 -.8891 -2.6388 999.9900 999.9900 .8104 -.9058 .6705 .3808 .5015 -.3332 45 TYR 45 -3.6999 -.6802 999.9900 999.9900 .5630 -1.2724 .6737 -.1785 .1766 -.6644 46 SER 46 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6761 .5417 .5977 -.3528 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5840 .4706 .5210 -.0253 48 ARG 48 -.3796 -.8531 999.9900 .1593 .8581 -.0112 .6771 .5214 .5863 .1632 49 SER 49 -.5771 999.9900 -.0289 999.9900 .6705 .0215 .6789 .5356 .5953 .2558 50 TRP 50 -.0034 -1.1671 999.9900 999.9900 .9378 -.0776 .6714 .1866 .3886 .1251 51 THR 51 .4909 999.9900 .4804 999.9900 .4476 .4729 .6539 -.2639 .1185 .3618 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6616 .1211 .3463 .0854 53 ARG 53 -.5160 -1.0788 999.9900 .6901 .8581 .1287 .6808 .5192 .5865 .2634 54 MET 54 -.1025 .1642 999.9900 .9587 .5203 .3852 .6737 .5130 .5800 .4546 55 LYS 55 -.8267 -1.3520 999.9900 -.4035 .7460 -.4479 .6769 .1447 .3665 -.2026 56 LYS 56 -.3543 -1.2879 999.9900 -.4035 .7460 -.3406 .6729 .1521 .3691 -.1255 57 ARG 57 -1.5415 -1.1946 999.9900 .5548 .8581 -.1537 .6807 .5186 .5861 .0616 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5721 .4589 .5092 .3048 59 GLU 59 -.6726 .3748 999.9900 -1.0323 .6899 -.1600 .6816 .5251 .5903 .0944 60 LYS 60 -.1867 -1.5020 999.9900 -.4035 .7460 -.3500 .6755 .1534 .3710 -.1315 61 VAL 61 .3372 999.9900 .1416 999.9900 .7810 .4200 .6532 .1133 .3383 .4053 62 PHE 62 -.3916 -3.6820 999.9900 999.9900 .7573 -1.1054 .6778 .0860 .3326 -.5105 63 LEU 63 -.1596 -2.9612 999.9900 999.9900 .9565 -.7214 .6804 .1449 .3680 -.2678 64 THR 64 -3.2663 999.9900 -.2947 999.9900 .4476 -1.0378 .6582 -.2557 .1251 -.5422 65 VAL 65 -.7790 999.9900 .9224 999.9900 .7810 .3081 .6476 .1179 .3386 .3380 66 GLY 66 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5922 .4768 .5281 -.2036 67 TRP 67 .0510 -3.3859 999.9900 999.9900 .9378 -.7990 .6792 .1765 .3859 -.3083 68 GLU 68 .6116 -2.3808 999.9900 -1.0323 .6899 -.5279 .6796 .5206 .5869 -.1519 69 ASN 69 1.3908 1.0524 999.9900 999.9900 .7518 1.0650 .6829 .3843 .5087 .8525 70 PHE 70 .6259 -1.6164 999.9900 999.9900 .7573 -.0777 .6713 .1006 .3384 .1077 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6591 .1310 .3510 .2951 72 LYS 72 .4938 -2.9005 999.9900 -.4035 .7460 -.4935 .6792 .1643 .3789 -.2320 73 ASP 73 1.3227 -3.7306 999.9900 999.9900 .8104 -.5325 .6759 .3790 .5027 -.1085 74 ASN 74 -.1320 -2.0766 999.9900 999.9900 .7518 -.4856 .6802 .3921 .5122 -.0769 75 ASN 75 -.6067 .3924 999.9900 999.9900 .7518 .1792 .6779 .3845 .5067 .3200 76 LEU 76 -2.5767 -2.1315 999.9900 999.9900 .9565 -1.2506 .6739 .1587 .3733 -.5838 77 GLU 77 -1.1136 -1.7714 999.9900 -1.0323 .6899 -.8068 .6740 .5195 .5839 -.3390 78 ASP 78 -1.5212 -3.7306 999.9900 999.9900 .8104 -1.4804 .6803 .3855 .5083 -.6751 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5904 .4688 .5228 -.4097 80 LYS 80 -.7762 -.3404 999.9900 -.0770 .7460 -.1049 .6764 .1535 .3714 .0436 81 TYR 81 .2346 -2.0063 999.9900 999.9900 .5630 -.4029 .6794 -.1767 .1800 -.1412 82 LEU 82 -.5757 -2.9612 999.9900 999.9900 .9565 -.8601 .6760 .1532 .3710 -.3503 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6755 .5253 .5879 .0205 84 PHE 84 -.2457 -2.4384 999.9900 999.9900 .7573 -.6422 .6735 .0892 .3327 -.2328 85 ILE 85 .1597 .0606 999.9900 999.9900 .6034 .2746 .6610 .0374 .2972 .3044 86 TYR 86 .1961 -1.2283 999.9900 999.9900 .5630 -.1564 .6703 -.1755 .1769 .0051 87 ASP 87 -2.8635 -3.7306 999.9900 999.9900 .8104 -1.9279 .6744 .3765 .5006 -.9466 88 ARG 88 -2.9267 -1.7413 999.9900 .1593 .8581 -.6982 .6793 .5156 .5838 -.3280 89 ASP 89 -2.8635 -1.7735 999.9900 999.9900 .8104 -1.2755 .6789 .3894 .5100 -.5517 90 ARG 90 -2.5097 -1.3337 999.9900 .1593 .8581 -.5333 .6762 .5145 .5819 -.2109 91 THR 91 .3363 999.9900 -.8810 999.9900 .4476 -.0324 .6610 -.2444 .1328 .0639 92 PHE 92 .2013 -1.6624 999.9900 999.9900 .7573 -.2346 .6810 .1053 .3452 .0165 93 TYR 93 .2641 -.0856 999.9900 999.9900 .5630 .2472 .6820 -.1677 .1864 .2512 94 VAL 94 -.1817 999.9900 -.5532 999.9900 .7810 .0154 .6599 .1321 .3520 .1676 95 ILE 95 -1.5441 .8778 999.9900 999.9900 .6034 -.0210 .6557 .0428 .2982 .1271 96 ILE 96 .3543 .8237 999.9900 999.9900 .6034 .5938 .6579 .0498 .3032 .4978 97 TYR 97 .2346 -1.1984 999.9900 999.9900 .5630 -.1336 .6865 -.1681 .1880 .0235 98 GLY 98 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5878 .4667 .5205 -.1538 99 HIS 99 -.2950 -.6348 999.9900 999.9900 .6686 -.0871 .6720 .3232 .4685 .1468 100 ASN 100 -1.6439 -1.3461 999.9900 999.9900 .7518 -.7461 .6807 .3773 .5037 -.2360 101 MET 101 -.9774 -2.5481 999.9900 1.7963 .5203 -.3022 .6732 .5097 .5778 -.0043 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6835 .2418 .4311 .3516 Means: -.6613 -1.4903 -.3475 .0109 .7095 -.3155 .6520 .2126 .3965 -.0278 2.00 analyzed_18