1 MET 1 999.9900 -2.0676 999.9900 1.7963 .5203 .0830 .6794 .5184 .5916 .2894 2 ALA 2 -1.6256 999.9900 999.9900 999.9900 .7458 -.4399 .6632 .3249 .4659 .0271 3 ASP 3 -.6293 .4423 999.9900 999.9900 .8104 .2078 .6849 .3852 .5101 .3387 4 THR 4 -.1311 999.9900 -.8810 999.9900 .4476 -.1882 .6574 -.2657 .1189 -.0346 5 GLY 5 -1.4779 999.9900 999.9900 999.9900 .7883 -.3448 .5707 .4586 .5084 .0849 6 GLU 6 -3.2255 -1.9198 999.9900 .3501 .6899 -1.0263 .6800 .5286 .5917 -.4828 7 VAL 7 .0815 999.9900 .1416 999.9900 .7810 .3347 .6578 .1279 .3487 .3580 8 GLN 8 -1.0957 -1.1512 999.9900 1.3059 .5113 -.1074 .6764 .5332 .5929 .1300 9 PHE 9 -.1228 .4845 999.9900 999.9900 .7573 .3730 .6798 .1043 .3441 .3806 10 MET 10 -.9371 -2.5481 999.9900 .9587 .5203 -.5016 .6687 .5092 .5757 -.1381 11 LYS 11 -.8267 -1.1257 999.9900 -.4035 .7460 -.4027 .4859 .1681 .3005 -.1942 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5421 -.3528 .0201 .1627 13 PHE 13 -.2255 .0059 999.9900 999.9900 .7573 .1792 .6770 .0946 .3373 .2619 14 ILE 14 .1962 -1.1192 999.9900 999.9900 .6034 -.1066 .6468 .0445 .2955 .0743 15 SER 15 .1386 999.9900 1.0592 999.9900 .6705 .6228 .6833 .5391 .5992 .6182 16 GLU 16 .1025 .4864 999.9900 -1.0323 .6899 .0616 .6753 .5200 .5847 .2403 17 LYS 17 -.6960 -1.8181 999.9900 -.4035 .7460 -.5150 .6780 .1518 .3710 -.2493 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6753 .5276 .5891 .2054 19 SER 19 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6711 .5330 .5906 .3791 20 LYS 20 -3.5196 -1.2293 999.9900 -.4035 .7460 -.9620 .6755 .1493 .3685 -.5693 21 SER 21 .0280 999.9900 -.0289 999.9900 .6705 .2232 .6744 .5355 .5934 .3759 22 LEU 22 -.6702 -3.3760 999.9900 999.9900 .9565 -1.0299 .6788 .1611 .3768 -.4500 23 GLU 23 -.6163 -.9574 999.9900 1.1588 .6899 .0687 .6731 .5297 .5894 .2463 24 ILE 24 .2593 -.5302 999.9900 999.9900 .6034 .1108 .4578 .0498 .2198 .1680 25 PRO 25 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5365 -.3746 .0050 .2578 26 LEU 26 .8442 -1.0979 999.9900 999.9900 .9565 .2343 .6744 .1578 .3731 .3070 27 GLY 27 -.3460 999.9900 999.9900 999.9900 .7883 .2211 .5778 .4646 .5149 .3711 28 PHE 28 -.7647 -2.1527 999.9900 999.9900 .7573 -.7200 .6763 .0991 .3396 -.2769 29 ASN 29 -.2139 -.7217 999.9900 999.9900 .7518 -.0613 .6749 .3844 .5054 .1751 30 GLU 30 .0468 .0118 999.9900 1.7325 .6899 .6203 .6732 .5220 .5850 .6127 31 TYR 31 .3338 -2.6175 999.9900 999.9900 .5630 -.5736 .6723 -.1638 .1845 -.2425 32 PHE 32 -3.6149 .1164 999.9900 999.9900 .7573 -.9137 .4872 .0951 .2585 -.4318 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5468 -.3603 .0177 .2527 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4836 .3078 .3811 .2735 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5499 -.3684 .0143 .2627 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4719 .1034 .2570 -.2169 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5421 -.3558 .0183 .2059 38 ILE 38 -2.9731 -1.3043 999.9900 999.9900 .6034 -1.2247 .6601 .0491 .3037 -.5930 39 THR 39 .0643 999.9900 -.8810 999.9900 .4476 -.1231 .6574 -.2564 .1243 .0064 40 VAL 40 -.3637 999.9900 -.5532 999.9900 .7810 -.0453 .6569 .1131 .3397 .1268 41 ASP 41 -.5526 -1.3712 999.9900 999.9900 .8104 -.3711 .6759 .3811 .5039 -.0113 42 LEU 42 -.2443 .3561 999.9900 999.9900 .9565 .3561 .6762 .1611 .3757 .3811 43 LEU 43 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6739 .1640 .3765 -.3011 44 ASP 44 -1.5212 -2.8653 999.9900 999.9900 .8104 -1.1920 .6755 .3730 .4990 -.5055 45 TYR 45 -2.5417 -4.1972 999.9900 999.9900 .5630 -2.0587 .6804 -.1908 .1722 -1.1373 46 SER 46 -3.2405 999.9900 -.7153 999.9900 .6705 -1.0951 .6768 .5340 .5935 -.4149 47 GLY 47 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5855 .4737 .5234 -.4097 48 ARG 48 -.4155 -1.0788 999.9900 .6901 .8581 .1488 .6774 .5221 .5868 .2776 49 SER 49 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .6714 .5267 .5870 .1610 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6765 .1841 .3893 .1909 51 THR 51 .2184 999.9900 -.2947 999.9900 .4476 .1237 .6540 -.2663 .1172 .1518 52 VAL 52 -.0145 999.9900 .1416 999.9900 .7810 .3027 .6585 .1268 .3484 .3387 53 ARG 53 -.5160 -2.3766 999.9900 1.3169 .8581 .1199 .6784 .5138 .5824 .2559 54 MET 54 -.1025 .1642 999.9900 .9587 .5203 .3852 .6730 .5210 .5843 .4558 55 LYS 55 -.6340 -1.2879 999.9900 -.4035 .7460 -.3966 .6715 .1652 .3762 -.1637 56 LYS 56 -.2858 -1.2879 999.9900 -.4035 .7460 -.3269 .6748 .1496 .3684 -.1158 57 ARG 57 -1.5415 -1.8960 999.9900 .1593 .8581 -.4522 .6769 .5189 .5847 -.1521 58 GLY 58 -.5999 999.9900 999.9900 999.9900 .7883 .0942 .5927 .4817 .5310 .3157 59 GLU 59 -.4382 .6231 999.9900 -1.0323 .6899 -.0394 .6797 .5192 .5861 .1736 60 LYS 60 -.1867 -.8530 999.9900 -.4035 .7460 -.2201 .6705 .1549 .3698 -.0393 61 VAL 61 .0815 999.9900 .5873 999.9900 .7810 .4833 .6550 .1342 .3512 .4478 62 PHE 62 -.3916 -4.3038 999.9900 999.9900 .7573 -1.3127 .6812 .1051 .3451 -.6304 63 LEU 63 -.2787 -3.3760 999.9900 999.9900 .9565 -.8994 .6860 .1535 .3754 -.3717 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6501 -.2620 .1180 -.5781 65 VAL 65 -1.2071 999.9900 -.5532 999.9900 .7810 -.3264 .6596 .1340 .3530 -.0371 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5774 .4639 .5143 -.2857 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6803 .1908 .3948 -.4539 68 GLU 68 .8604 -.6497 999.9900 -1.0323 .6899 -.0329 .6764 .5208 .5857 .1776 69 ASN 69 1.3908 -1.0148 999.9900 999.9900 .7518 .3759 .6704 .3775 .4996 .4352 70 PHE 70 .8041 -2.5581 999.9900 999.9900 .7573 -.3322 .6761 .1107 .3463 -.0420 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6578 .1414 .3566 .2970 72 LYS 72 .3654 -1.1257 999.9900 .3240 .7460 .1268 .6701 .1601 .3726 .2092 73 ASP 73 .9343 -2.0928 999.9900 999.9900 .8104 -.1161 .6703 .3858 .5043 .1416 74 ASN 74 -.1320 -2.3357 999.9900 999.9900 .7518 -.5720 .6769 .3765 .5017 -.1325 75 ASN 75 -1.1452 -.7732 999.9900 999.9900 .7518 -.3889 .6787 .3772 .5028 -.0221 76 LEU 76 -1.2649 -2.1315 999.9900 999.9900 .9565 -.8133 .6780 .1502 .3702 -.3223 77 GLU 77 -1.2742 -1.6501 999.9900 -1.0323 .6899 -.8167 .6721 .5229 .5851 -.3453 78 ASP 78 -.9954 -1.8420 999.9900 999.9900 .8104 -.6757 .6730 .3794 .5017 -.1949 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5900 .4779 .5277 -.4075 80 LYS 80 -.7069 1.1776 999.9900 -.4035 .7460 .0819 .6744 .1461 .3662 .1757 81 TYR 81 -.0710 -4.1972 999.9900 999.9900 .5630 -1.2351 .6799 -.1799 .1784 -.6410 82 LEU 82 -.1655 .5402 999.9900 999.9900 .9565 .4437 .6746 .1474 .3671 .4306 83 GLN 83 -.4544 -2.6982 999.9900 1.3059 .5113 -.3339 .6773 .5166 .5836 -.0236 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6814 .1149 .3509 -.5992 85 ILE 85 .3408 -2.2551 999.9900 999.9900 .6034 -.4370 .6561 .0436 .2988 -.1222 86 TYR 86 .4225 -.2907 999.9900 999.9900 .5630 .2316 .6739 -.1974 .1657 .2343 87 ASP 87 -1.4736 -1.6521 999.9900 999.9900 .8104 -.7718 .6754 .3792 .5026 -.2521 88 ARG 88 -1.1554 -2.3766 999.9900 .1593 .8581 -.4710 .6739 .5191 .5836 -.1660 89 ASP 89 -2.5838 -1.7735 999.9900 999.9900 .8104 -1.1823 .6802 .3899 .5109 -.4954 90 ARG 90 -1.7561 -2.8571 999.9900 .1593 .8581 -.6873 .6850 .5228 .5904 -.3184 91 THR 91 -.0150 999.9900 .0483 999.9900 .4476 .1603 .6547 -.2549 .1241 .1761 92 PHE 92 .0966 -2.0028 999.9900 999.9900 .7573 -.3830 .6699 .0883 .3306 -.0781 93 TYR 93 .3730 .0015 999.9900 999.9900 .5630 .3125 .6813 -.1770 .1807 .2884 94 VAL 94 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6568 .1248 .3465 .0186 95 ILE 95 -1.5441 -.5899 999.9900 999.9900 .6034 -.5102 .6603 .0366 .2964 -.1668 96 ILE 96 .3543 -.8802 999.9900 999.9900 .6034 .0258 .6597 .0374 .2967 .1549 97 TYR 97 .6244 -.5304 999.9900 999.9900 .5630 .2190 .6811 -.1749 .1818 .2326 98 GLY 98 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .5701 .4657 .5121 .2211 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6766 .3322 .4757 -.9038 100 ASN 100 -1.2316 -2.0766 999.9900 999.9900 .7518 -.8521 .6734 .3777 .5009 -.3010 101 MET 101 .2242 -2.5481 999.9900 .9587 .5203 -.2112 .6753 .5186 .5839 .0581 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6734 .2421 .4269 .3484 Means: -.6450 -1.5196 -.2959 .1632 .7095 -.2956 .6509 .2123 .3959 -.0158 2.00 analyzed_4