1 MET 1 999.9900 -2.0676 999.9900 1.7963 .5203 .0830 .6706 .5019 .5786 .2843 2 THR 2 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6555 -.2589 .1221 -.0537 3 GLU 3 -.8707 -1.9198 999.9900 .3501 .6899 -.4376 .6744 .5203 .5845 -.0926 4 VAL 4 -.7132 999.9900 -.2457 999.9900 .7810 -.0593 .6615 .1199 .3456 .1207 5 TYR 5 .5758 -1.5559 999.9900 999.9900 .5630 -.1391 .6716 -.1612 .1858 .0186 6 ASP 6 .1056 -3.1847 999.9900 999.9900 .8104 -.7562 .6827 .3829 .5078 -.2406 7 LEU 7 -.8682 -3.3760 999.9900 999.9900 .9565 -1.0959 .6741 .1536 .3705 -.4920 8 GLU 8 -.4615 -2.3808 999.9900 -1.0323 .6899 -.7962 .6753 .5086 .5781 -.3335 9 ILE 9 .2768 -2.6526 999.9900 999.9900 .6034 -.5908 .6551 .0459 .2997 -.2143 10 THR 10 -.8251 999.9900 -.8810 999.9900 .4476 -.4195 .6542 -.2411 .1319 -.1691 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6640 -.2644 .1224 -.1685 12 ASN 12 -.6931 -1.7113 999.9900 999.9900 .7518 -.5509 .6763 .3917 .5103 -.1169 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6632 .3316 .4698 .3956 14 THR 14 .2564 999.9900 -.2947 999.9900 .4476 .1364 .6554 -.2509 .1267 .1627 15 ASP 15 -.5406 -3.7306 999.9900 999.9900 .8104 -1.1536 .6767 .3755 .5010 -.4817 16 PHE 16 -1.3242 -1.8165 999.9900 999.9900 .7573 -.7945 .4998 .0860 .2584 -.3595 17 PRO 17 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5417 -.3754 .0067 .2589 18 MET 18 -1.0204 -2.5481 999.9900 .9587 .5203 -.5224 .6730 .5279 .5884 -.1481 19 GLU 19 -.3103 -2.3808 999.9900 1.7325 .6899 -.0672 .6806 .5277 .5914 .1566 20 LYS 20 -.2978 -2.1617 999.9900 -.0397 .7460 -.3586 .6732 .1539 .3703 -.1380 21 LYS 21 -.1867 -1.6955 999.9900 -.4035 .7460 -.3886 .6767 .1591 .3748 -.1582 22 TYR 22 .0777 -1.1415 999.9900 999.9900 .5630 -.1670 .5012 -.1867 .0999 -.0373 23 PRO 23 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5455 -.3822 .0043 .1562 24 ALA 24 -.9755 999.9900 999.9900 999.9900 .7458 -.1149 .6701 .3197 .4657 .1900 25 GLY 25 -1.8567 999.9900 999.9900 999.9900 .7883 -.5342 .5713 .4599 .5094 -.0093 26 MET 26 -1.8017 -2.5481 999.9900 .9587 .5203 -.7177 .6835 .5153 .5854 -.2787 27 SER 27 -.3889 999.9900 -.7153 999.9900 .6705 -.1446 .6712 .5168 .5811 .1509 28 LEU 28 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6832 .1510 .3728 -.1342 29 ASN 29 .9642 -2.7010 999.9900 999.9900 .7518 -.3283 .6769 .3810 .5043 .0146 30 ASP 30 1.0815 -1.0518 999.9900 999.9900 .8104 .2800 .6747 .3859 .5063 .3801 31 LEU 31 .8182 -3.3760 999.9900 999.9900 .9565 -.5337 .6741 .1650 .3772 -.1524 32 LYS 32 .9451 -.8530 999.9900 -.4035 .7460 .0062 .6687 .1570 .3702 .1224 33 LYS 33 1.0429 -2.1617 999.9900 -.4035 .7460 -.2360 .6723 .1530 .3694 -.0506 34 LYS 34 1.2214 -1.9682 999.9900 -.4035 .7460 -.1616 .6747 .1642 .3769 .0044 35 LEU 35 .6509 -1.7554 999.9900 999.9900 .9565 -.0493 .6788 .1548 .3731 .1371 36 GLU 36 .6833 -2.8418 999.9900 -1.0323 .6899 -.6253 .6767 .5201 .5854 -.2174 37 LEU 37 .8442 -.5109 999.9900 999.9900 .9565 .4299 .6806 .1653 .3800 .4271 38 VAL 38 -.1540 999.9900 .5873 999.9900 .7810 .4048 .6547 .1275 .3472 .3993 39 VAL 39 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6543 .1350 .3514 -.1186 40 GLY 40 -1.1609 999.9900 999.9900 999.9900 .7883 -.1863 .5826 .4733 .5219 .1708 41 THR 41 -2.6731 999.9900 -.8810 999.9900 .4476 -1.0355 .6477 -.2546 .1214 -.5427 42 THR 42 .3531 999.9900 .0483 999.9900 .4476 .2830 .6613 -.2495 .1300 .2522 43 VAL 43 -.8680 999.9900 .4980 999.9900 .7810 .1370 .6566 .1140 .3401 .2363 44 ASP 44 .2633 -3.7306 999.9900 999.9900 .8104 -.8856 .6749 .3830 .5046 -.3198 45 SER 45 -.9081 999.9900 -.7153 999.9900 .6705 -.3177 .6773 .5379 .5960 .0524 46 MET 46 -.8637 -2.5481 999.9900 1.7963 .5203 -.2738 .6797 .5142 .5831 .0164 47 ARG 47 -.3624 -1.7413 999.9900 .6901 .8581 .0269 .6747 .5137 .5808 .1890 48 ILE 48 .0813 -1.1818 999.9900 999.9900 .6034 -.1657 .6608 .0474 .3030 .0422 49 GLN 49 -.3964 -2.6982 999.9900 1.3059 .5113 -.3194 .6764 .5180 .5840 -.0138 50 LEU 50 .1006 -1.0230 999.9900 999.9900 .9565 .0114 .6724 .1517 .3686 .1716 51 PHE 51 .0900 -3.6820 999.9900 999.9900 .7573 -.9449 .6778 .1091 .3461 -.4096 52 ASP 52 -3.3417 -.9083 999.9900 999.9900 .8104 -1.1465 .6771 .3756 .5012 -.4774 53 GLY 53 -1.0990 999.9900 999.9900 999.9900 .7883 -.1554 .5828 .4789 .5251 .1877 54 ASP 54 -3.3417 -2.6388 999.9900 999.9900 .8104 -1.7234 .6789 .3883 .5094 -.8206 55 ASP 55 -2.3854 -.1954 999.9900 999.9900 .8104 -.5901 .6737 .3797 .5022 -.1434 56 GLN 56 -3.1236 -2.2325 999.9900 1.3059 .5113 -.8847 .6746 .5146 .5813 -.3916 57 LEU 57 -.1479 -2.3037 999.9900 999.9900 .9565 -.4984 .6757 .1579 .3736 -.1323 58 LYS 58 -.8267 -1.4228 999.9900 .6506 .7460 -.0405 .6792 .1623 .3777 .0913 59 GLY 59 -.8710 999.9900 999.9900 999.9900 .7883 -.0413 .5882 .4688 .5218 .2436 60 GLU 60 -.7442 -2.8418 999.9900 1.1588 .6899 -.4343 .6765 .5204 .5854 -.0901 61 LEU 61 -3.7702 .2036 999.9900 999.9900 .9565 -.8700 .6759 .1657 .3783 -.3537 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6605 -.2460 .1317 -.8451 63 ASP 63 -3.3417 -2.1980 999.9900 999.9900 .8104 -1.5764 .6777 .3838 .5063 -.7336 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5832 .4796 .5257 -.4088 65 ALA 65 -.1097 999.9900 999.9900 999.9900 .7458 .3180 .6625 .3089 .4562 .4019 66 LYS 66 -3.5196 -1.3520 999.9900 .1731 .7460 -.7559 .6742 .1573 .3727 -.4211 67 SER 67 -.6802 999.9900 -.7153 999.9900 .6705 -.2417 .6718 .5300 .5891 .0954 68 LEU 68 -.5228 -2.3037 999.9900 999.9900 .9565 -.6233 .6722 .1619 .3746 -.2072 69 LYS 69 .8536 -1.4228 999.9900 -.4035 .7460 -.1261 .6772 .1633 .3774 .0300 70 ASP 70 .9343 -2.1980 999.9900 999.9900 .8104 -.1511 .6791 .3858 .5080 .1223 71 LEU 71 -.2213 -.7315 999.9900 999.9900 .9565 .0012 .6773 .1589 .3749 .1680 72 GLY 72 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5833 .4758 .5236 .7251 73 VAL 73 -3.2710 999.9900 -1.0788 999.9900 .7810 -1.1896 .6606 .1220 .3464 -.5572 74 ARG 74 -2.9267 -1.2607 999.9900 1.0856 .8581 -.2316 .6726 .5267 .5875 .0059 75 ASP 75 -.2689 -2.0928 999.9900 999.9900 .8104 -.5171 .6764 .3761 .5012 -.0998 76 GLY 76 .6686 999.9900 999.9900 999.9900 .7883 .7284 .5969 .4769 .5303 .6327 77 TYR 77 -.5197 -2.9749 999.9900 999.9900 .5630 -.9772 .6783 -.1969 .1677 -.4901 78 ARG 78 -.4636 -1.3337 999.9900 .1593 .8581 -.1241 .6768 .5128 .5812 .0813 79 ILE 79 .3543 -.2003 999.9900 999.9900 .6034 .2525 .6505 .0224 .2841 .2860 80 HIS 80 -.1228 .6357 999.9900 999.9900 .6686 .3938 .6792 .3203 .4698 .4362 81 ALA 81 -.7688 999.9900 999.9900 999.9900 .7458 -.0115 .6628 .3078 .4557 .2369 82 VAL 82 -.9031 999.9900 -1.0788 999.9900 .7810 -.4003 .6687 .1199 .3486 -.0824 83 ASP 83 -.4515 -3.7306 999.9900 999.9900 .8104 -1.1239 .6734 .3829 .5039 -.4631 84 VAL 84 -1.6661 999.9900 .3968 999.9900 .7810 -.1628 .6537 .1287 .3474 .0588 85 THR 85 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6590 -.2507 .1284 .0910 86 GLY 86 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5857 .4645 .5184 .3886 87 GLY 87 -1.7079 999.9900 999.9900 999.9900 .7883 -.4598 .5840 .4691 .5202 .0334 88 ASN 88 -.3935 -1.4522 999.9900 999.9900 .7518 -.3646 .6740 .3842 .5050 -.0071 89 GLU 89 -2.3953 -1.2470 999.9900 -1.0323 .6899 -.9962 .6805 .5250 .5898 -.4632 90 ASP 90 999.9900 -.3515 999.9900 999.9900 999.9900 -.3515 .6795 .3587 .4962 .2289 Means: -.6702 -1.9335 -.5377 .2844 .7218 -.3670 .6572 .2323 .4105 -.0522 2.00 analyzed_13