1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6740 .5153 .5874 .1764 2 THR 2 -.1023 999.9900 .2916 999.9900 .4476 .2123 .6550 -.2427 .1313 .2098 3 GLU 3 -1.7894 -1.4588 999.9900 -1.0323 .6899 -.8976 .6797 .5195 .5862 -.3986 4 VAL 4 -.7132 999.9900 -1.0788 999.9900 .7810 -.3370 .6572 .1228 .3455 -.0462 5 TYR 5 .2641 -.5033 999.9900 999.9900 .5630 .1079 .6843 -.1744 .1834 .1668 6 ASP 6 -.1788 -2.4630 999.9900 999.9900 .8104 -.6105 .6751 .3866 .5068 -.1539 7 LEU 7 -.5127 -3.3760 999.9900 999.9900 .9565 -.9774 .6765 .1537 .3715 -.4204 8 GLU 8 -.4615 -1.3804 999.9900 -1.0323 .6899 -.5461 .6783 .5125 .5816 -.1656 9 ILE 9 .2593 -2.2551 999.9900 999.9900 .6034 -.4641 .6522 .0480 .2997 -.1385 10 THR 10 -.8251 999.9900 -.8810 999.9900 .4476 -.4195 .6592 -.2544 .1263 -.1707 11 THR 11 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6561 -.2546 .1249 -.1681 12 ASN 12 -.6931 -1.3461 999.9900 999.9900 .7518 -.4291 .6821 .3861 .5094 -.0438 13 ALA 13 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6641 .3070 .4558 .3896 14 THR 14 .3531 999.9900 .6346 999.9900 .4476 .4784 .6651 -.2570 .1272 .3687 15 ASP 15 -1.5723 -1.9171 999.9900 999.9900 .8104 -.8930 .6748 .3817 .5038 -.3245 16 PHE 16 -.9952 -1.6164 999.9900 999.9900 .7573 -.6181 .4891 .1189 .2731 -.2493 17 PRO 17 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5281 -.3830 -.0034 .2536 18 MET 18 -.8637 -1.5870 999.9900 .9587 .5203 -.2429 .6742 .5192 .5838 .0370 19 GLU 19 -.3103 -1.2470 999.9900 -1.0323 .6899 -.4749 .6807 .5181 .5859 -.1168 20 LYS 20 -.2978 -2.9005 999.9900 -.4035 .7460 -.6519 .6783 .1536 .3722 -.3468 21 LYS 21 -.3286 -.1358 999.9900 .3240 .7460 .1859 .6745 .1431 .3645 .2496 22 TYR 22 -.2656 -2.2600 999.9900 999.9900 .5630 -.6542 .4859 -.1924 .0902 -.3338 23 PRO 23 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5546 -.3510 .0263 .2569 24 ALA 24 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6724 .3146 .4637 -.2760 25 GLY 25 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5845 .4801 .5265 -.1513 26 MET 26 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6797 .5258 .5900 -.3496 27 SER 27 -.4495 999.9900 -.7153 999.9900 .6705 -.1648 .6758 .5329 .5924 .1429 28 LEU 28 -.1625 -1.9980 999.9900 999.9900 .9565 -.4014 .6776 .1557 .3732 -.0741 29 ASN 29 1.1117 -1.8756 999.9900 999.9900 .7518 -.0040 .6788 .3778 .5032 .2089 30 ASP 30 -.2299 -1.3712 999.9900 999.9900 .8104 -.2636 .6719 .3742 .4983 .0511 31 LEU 31 .8786 -2.9612 999.9900 999.9900 .9565 -.3754 .6725 .1642 .3760 -.0579 32 LYS 32 1.2214 -.5697 999.9900 -.0397 .7460 .2637 .6744 .1516 .3694 .3063 33 LYS 33 1.0838 -2.1617 999.9900 -.4035 .7460 -.2278 .6763 .1508 .3698 -.0445 34 LYS 34 1.2214 -1.9682 999.9900 -.4035 .7460 -.1616 .6772 .1543 .3722 .0034 35 LEU 35 -.2410 -1.2483 999.9900 999.9900 .9565 -.1776 .6766 .1621 .3764 .0612 36 GLU 36 .6116 -1.0866 999.9900 -1.0323 .6899 -.2043 .6751 .5222 .5859 .0633 37 LEU 37 .8475 -.5109 999.9900 999.9900 .9565 .4310 .6777 .1567 .3738 .4255 38 VAL 38 -1.0844 999.9900 .9224 999.9900 .7810 .2063 .6550 .1346 .3514 .2817 39 VAL 39 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6555 .1159 .3407 -.1222 40 GLY 40 -1.1609 999.9900 999.9900 999.9900 .7883 -.1863 .5654 .4647 .5095 .1644 41 THR 41 -2.6731 999.9900 -.8810 999.9900 .4476 -1.0355 .6625 -.2666 .1205 -.5421 42 THR 42 .2086 999.9900 .0483 999.9900 .4476 .2348 .6628 -.2650 .1216 .2204 43 VAL 43 -.8595 999.9900 .7395 999.9900 .7810 .2203 .6566 .1117 .3388 .2859 44 ASP 44 .2633 -3.7306 999.9900 999.9900 .8104 -.8856 .6754 .3761 .5008 -.3211 45 SER 45 -.8292 999.9900 -.7153 999.9900 .6705 -.2913 .6736 .5384 .5947 .0676 46 MET 46 -.1671 -.1672 999.9900 .9587 .5203 .2862 .6767 .5125 .5809 .3890 47 ARG 47 -.4439 -2.8571 999.9900 .1593 .8581 -.4249 .6724 .5148 .5805 -.1339 48 ILE 48 -.1535 -.6653 999.9900 999.9900 .6034 -.0718 .6558 .0430 .2984 .0967 49 GLN 49 -.4190 .1368 999.9900 1.3059 .5113 .3837 .6760 .5202 .5851 .4552 50 LEU 50 .1006 -1.7966 999.9900 999.9900 .9565 -.2465 .6729 .1498 .3678 .0166 51 PHE 51 -.4973 -.7088 999.9900 999.9900 .7573 -.1496 .6799 .1031 .3434 .0668 52 ASP 52 -2.5838 -3.7306 999.9900 999.9900 .8104 -1.8347 .6732 .3805 .5025 -.8901 53 GLY 53 .2199 999.9900 999.9900 999.9900 .7883 .5041 .5798 .4612 .5139 .5123 54 ASP 54 -3.3417 -.3302 999.9900 999.9900 .8104 -.9538 .6753 .3784 .5021 -.3616 55 ASP 55 -3.3417 -1.1954 999.9900 999.9900 .8104 -1.2422 .6762 .3804 .5037 -.5340 56 GLN 56 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .6782 .5179 .5847 -.4681 57 LEU 57 -.1479 -2.5464 999.9900 999.9900 .9565 -.5793 .6740 .1638 .3764 -.1800 58 LYS 58 -.6960 -1.9682 999.9900 .3240 .7460 -.2540 .6744 .1552 .3715 -.0629 59 GLY 59 -.0138 999.9900 999.9900 999.9900 .7883 .3873 .5822 .4740 .5221 .4577 60 GLU 60 -.7347 .8225 999.9900 .3501 .6899 .2820 .6766 .5246 .5879 .3882 61 LEU 61 -3.7702 -1.6805 999.9900 999.9900 .9565 -1.4980 .6776 .1453 .3671 -.7342 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6642 -.2603 .1249 -.8472 63 ASP 63 -3.3417 -2.0928 999.9900 999.9900 .8104 -1.5414 .6739 .3790 .5018 -.7143 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5856 .4836 .5289 -.4072 65 ALA 65 -.7537 999.9900 999.9900 999.9900 .7458 -.0040 .6696 .3206 .4660 .2456 66 LYS 66 -3.5196 -1.5020 999.9900 .1731 .7460 -.7859 .6729 .1648 .3765 -.4417 67 SER 67 -.5057 999.9900 -.7153 999.9900 .6705 -.1835 .6790 .5301 .5921 .1317 68 LEU 68 -1.3832 -.9670 999.9900 999.9900 .9565 -.4646 .6811 .1489 .3707 -.1127 69 LYS 69 -.2512 -1.0359 999.9900 .2495 .7460 -.0084 .6759 .1591 .3744 .1133 70 ASP 70 .6201 -1.9171 999.9900 999.9900 .8104 -.1622 .6770 .3858 .5071 .1152 71 LEU 71 -.2213 .6236 999.9900 999.9900 .9565 .4529 .6746 .1656 .3777 .4398 72 GLY 72 -.2001 999.9900 999.9900 999.9900 .7883 .2941 .5798 .4665 .5169 .4086 73 VAL 73 -4.3409 999.9900 .8055 999.9900 .7810 -.9181 .6596 .1255 .3480 -.3939 74 ARG 74 -2.9267 -.4990 999.9900 .1593 .8581 -.4498 .6775 .5153 .5829 -.1509 75 ASP 75 -.4109 -2.6388 999.9900 999.9900 .8104 -.7464 .6744 .3794 .5023 -.2371 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5924 .4795 .5297 .7229 77 TYR 77 -.3370 -2.6175 999.9900 999.9900 .5630 -.7972 .6754 -.1713 .1815 -.3775 78 ARG 78 -.2265 .2392 999.9900 .6901 .8581 .4502 .6805 .5231 .5887 .4935 79 ILE 79 .5210 -3.0500 999.9900 999.9900 .6034 -.6419 .6548 .0470 .3003 -.2448 80 HIS 80 -.2420 -.1773 999.9900 999.9900 .6686 .0831 .6730 .3315 .4738 .2507 81 ALA 81 -.9903 999.9900 999.9900 999.9900 .7458 -.1223 .6602 .3147 .4587 .1826 82 VAL 82 -1.0844 999.9900 -1.0788 999.9900 .7810 -.4607 .6585 .1203 .3445 -.1207 83 ASP 83 -.6028 -.1523 999.9900 999.9900 .8104 .0184 .6802 .3846 .5078 .2240 84 VAL 84 -1.2342 999.9900 -.2457 999.9900 .7810 -.2330 .6614 .1256 .3488 .0176 85 THR 85 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6517 -.2536 .1236 .0890 86 GLY 86 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5837 .4715 .5214 .3744 87 GLY 87 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5893 .4697 .5228 -.2061 88 ASN 88 -.4415 -1.7113 999.9900 999.9900 .7518 -.4670 .6746 .3816 .5037 -.0690 89 GLU 89 -2.8104 -1.2470 999.9900 -1.0323 .6899 -1.0999 .6771 .5338 .5935 -.5315 90 ASP 90 999.9900 -3.7306 999.9900 999.9900 999.9900 -3.7306 .6750 .3562 .4928 -.8998 Means: -.8075 -1.5811 -.3662 .0969 .7218 -.3505 .6571 .2322 .4104 -.0421 2.00 analyzed_3