1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6750 .5153 .5879 .0242 2 ALA 2 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6643 .3257 .4668 -.0275 3 ASP 3 -1.2094 -2.6388 999.9900 999.9900 .8104 -1.0126 .6821 .3928 .5133 -.3926 4 THR 4 -.3846 999.9900 -.2947 999.9900 .4476 -.0772 .6606 -.2505 .1291 .0357 5 GLY 5 -.2271 999.9900 999.9900 999.9900 .7883 .2806 .5909 .4701 .5238 .4055 6 GLU 6 -1.0469 -1.5476 999.9900 .3501 .6899 -.3886 .6847 .5236 .5907 -.0577 7 VAL 7 -.3161 999.9900 -.2457 999.9900 .7810 .0731 .6627 .1186 .3453 .2001 8 GLN 8 -1.0957 -2.6982 999.9900 1.3059 .5113 -.4942 .6811 .5295 .5927 -.1277 9 PHE 9 -.9952 .7639 999.9900 999.9900 .7573 .1753 .6724 .1061 .3421 .2609 10 MET 10 -.1559 -2.5481 999.9900 .9587 .5203 -.3063 .6826 .5307 .5940 -.0020 11 LYS 11 -.7523 -2.9005 999.9900 -.0770 .7460 -.6122 .4769 .1617 .2930 -.3460 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5326 -.3457 .0202 .1621 13 PHE 13 .0900 -2.8600 999.9900 999.9900 .7573 -.6709 .6761 .1174 .3502 -.2439 14 ILE 14 .3408 .6227 999.9900 999.9900 .6034 .5223 .6606 .0501 .3044 .4555 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6829 .5345 .5963 .2663 16 GLU 16 .8171 -1.7714 999.9900 .3501 .6899 .0214 .6793 .5188 .5857 .2140 17 LYS 17 -.6960 -1.3520 999.9900 -.0397 .7460 -.2763 .6795 .1543 .3731 -.0782 18 SER 18 -1.2908 999.9900 -.7153 999.9900 .6705 -.4452 .6790 .5357 .5954 -.0242 19 SER 19 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6730 .5315 .5905 .3817 20 LYS 20 -3.5196 -1.5020 999.9900 -.0397 .7460 -.8710 .6756 .1516 .3700 -.5040 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6792 .5337 .5943 .1344 22 LEU 22 -.0536 -3.3760 999.9900 999.9900 .9565 -.8243 .6783 .1573 .3744 -.3275 23 GLU 23 -.3890 -1.5476 999.9900 .3501 .6899 -.2241 .6732 .5193 .5834 .0493 24 ILE 24 .2593 -.3145 999.9900 999.9900 .6034 .1827 .4668 .0547 .2264 .2139 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5364 -.3674 .0092 .1576 26 LEU 26 -.5228 -3.3760 999.9900 999.9900 .9565 -.9808 .6784 .1614 .3768 -.4205 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5894 .4775 .5272 .4783 28 PHE 28 -1.7494 -4.3038 999.9900 999.9900 .7573 -1.7653 .6799 .1077 .3461 -.9016 29 ASN 29 1.1272 -1.4522 999.9900 999.9900 .7518 .1423 .6769 .3818 .5047 .2971 30 GLU 30 -.2702 -.8493 999.9900 2.1776 .6899 .4370 .6728 .5138 .5801 .4891 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6785 -.1890 .1725 -.5622 32 PHE 32 -3.6149 -.2091 999.9900 999.9900 .7573 -1.0222 .4852 .0975 .2590 -.4968 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5555 -.3365 .0352 .2608 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4671 .3211 .3819 .2727 35 PRO 35 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5487 -.3632 .0168 .2058 36 PHE 36 -1.5081 -1.8744 999.9900 999.9900 .7573 -.8751 .4968 .0948 .2623 -.4067 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5368 -.4029 -.0113 .1929 38 ILE 38 -1.3252 -.7522 999.9900 999.9900 .6034 -.4913 .6543 .0388 .2953 -.1562 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6563 -.2460 .1300 -.1188 40 VAL 40 -.0523 999.9900 -1.0788 999.9900 .7810 -.1167 .6545 .1320 .3497 .0873 41 ASP 41 -.5526 -1.3328 999.9900 999.9900 .8104 -.3583 .6783 .3875 .5087 -.0018 42 LEU 42 -.0977 .6236 999.9900 999.9900 .9565 .4941 .6793 .1626 .3779 .4649 43 LEU 43 .0762 -1.4996 999.9900 999.9900 .9565 -.1556 .6734 .1479 .3669 .0709 44 ASP 44 -1.5212 -1.7735 999.9900 999.9900 .8104 -.8281 .6667 .3795 .4991 -.2876 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6788 -.1732 .1818 -1.3657 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6733 .5353 .5928 -.5192 47 GLY 47 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5773 .4736 .5197 -.0796 48 ARG 48 -.5733 .4266 999.9900 .1593 .8581 .2060 .6756 .5162 .5826 .3174 49 SER 49 -.0526 999.9900 -.0289 999.9900 .6705 .1964 .6735 .5403 .5958 .3606 50 TRP 50 -.3273 -1.4740 999.9900 999.9900 .9378 -.2879 .6858 .1918 .3976 .0028 51 THR 51 .2184 999.9900 -.8810 999.9900 .4476 -.0717 .6590 -.2611 .1223 .0366 52 VAL 52 -.1853 999.9900 .4980 999.9900 .7810 .3646 .6595 .1156 .3422 .3738 53 ARG 53 -.5160 -2.0954 999.9900 .1593 .8581 -.2869 .6779 .5156 .5833 -.0344 54 MET 54 -.1902 -.1900 999.9900 .9587 .5203 .2747 .6763 .5076 .5779 .3805 55 LYS 55 -.6340 -1.6955 999.9900 .1731 .7460 -.2475 .6771 .1536 .3717 -.0581 56 LYS 56 -.3543 -1.1257 999.9900 -.0770 .7460 -.1776 .6772 .1621 .3768 -.0069 57 ARG 57 -1.0405 -2.3766 999.9900 .1593 .8581 -.4481 .6768 .5197 .5852 -.1491 58 GLY 58 -.0489 999.9900 999.9900 999.9900 .7883 .3697 .5848 .4718 .5220 .4490 59 GLU 59 -.9196 -2.3808 999.9900 -1.0323 .6899 -.9107 .6791 .5292 .5917 -.4058 60 LYS 60 -.3038 -.2695 999.9900 .3240 .7460 .1641 .6752 .1533 .3708 .2356 61 VAL 61 .0429 999.9900 .3968 999.9900 .7810 .4069 .6665 .1238 .3499 .4022 62 PHE 62 -.3916 -.6014 999.9900 999.9900 .7573 -.0786 .6781 .0992 .3404 .1083 63 LEU 63 -.5127 -2.5464 999.9900 999.9900 .9565 -.7009 .6772 .1630 .3773 -.2525 64 THR 64 -4.2065 999.9900 -.2947 999.9900 .4476 -1.3512 .6562 -.2693 .1163 -.7334 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6598 .1242 .3474 -.1442 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5827 .4630 .5162 -.2846 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6777 .1957 .3966 -.4534 68 GLU 68 .6116 -1.9198 999.9900 -1.0323 .6899 -.4126 .6752 .5233 .5865 -.0754 69 ASN 69 .6990 .3007 999.9900 999.9900 .7518 .5838 .6786 .3852 .5075 .5631 70 PHE 70 .8041 -1.8165 999.9900 999.9900 .7573 -.0850 .6814 .0992 .3418 .1051 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .7810 .2495 .6527 .1305 .3481 .3063 72 LYS 72 .6780 -2.9005 999.9900 .1140 .7460 -.2497 .6722 .1442 .3642 -.0617 73 ASP 73 .2706 -2.1980 999.9900 999.9900 .8104 -.3723 .6743 .3761 .5003 -.0133 74 ASN 74 -.1320 -2.7010 999.9900 999.9900 .7518 -.6937 .6785 .3784 .5034 -.2049 75 ASN 75 -3.4329 .0835 999.9900 999.9900 .7518 -.8659 .6796 .3759 .5024 -.3084 76 LEU 76 -.9033 -.4539 999.9900 999.9900 .9565 -.1336 .6737 .1672 .3782 .0880 77 GLU 77 -1.1499 -2.1111 999.9900 -1.0323 .6899 -.9009 .6792 .5182 .5853 -.4010 78 ASP 78 -.9954 -2.8653 999.9900 999.9900 .8104 -1.0168 .6739 .3926 .5098 -.3968 79 GLY 79 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5797 .4779 .5232 -.2816 80 LYS 80 -.7292 -.4196 999.9900 .1731 .7460 -.0113 .6802 .1593 .3764 .1118 81 TYR 81 .2346 .3615 999.9900 999.9900 .5630 .3863 .6822 -.1781 .1803 .3326 82 LEU 82 -.5178 -2.7185 999.9900 999.9900 .9565 -.7599 .6835 .1564 .3760 -.2880 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6752 .5195 .5844 .0195 84 PHE 84 -.2255 -4.3038 999.9900 999.9900 .7573 -1.2573 .6766 .0879 .3332 -.6015 85 ILE 85 -.0022 .6227 999.9900 999.9900 .6034 .4080 .6585 .0458 .3011 .3856 86 TYR 86 -.0390 -2.6175 999.9900 999.9900 .5630 -.6978 .6757 -.1770 .1783 -.3190 87 ASP 87 -1.2094 -2.3194 999.9900 999.9900 .8104 -.9061 .6812 .3812 .5062 -.3312 88 ARG 88 -2.0927 .3427 999.9900 .5548 .8581 .0435 .6800 .5229 .5884 .2029 89 ASP 89 -2.1057 -1.3712 999.9900 999.9900 .8104 -.8888 .6741 .3795 .5023 -.3226 90 ARG 90 -1.4842 -1.7413 999.9900 .1593 .8581 -.4097 .6792 .5249 .5892 -.1207 91 THR 91 .1314 999.9900 .4804 999.9900 .4476 .3531 .6504 -.2614 .1185 .2897 92 PHE 92 .0766 -.7766 999.9900 999.9900 .7573 .0191 .6731 .1009 .3393 .1662 93 TYR 93 .3730 .0738 999.9900 999.9900 .5630 .3366 .6798 -.1744 .1815 .3030 94 VAL 94 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6643 .1139 .3433 -.0370 95 ILE 95 -1.5441 .5533 999.9900 999.9900 .6034 -.1292 .6638 .0499 .3057 .0652 96 ILE 96 -.4035 -2.0226 999.9900 999.9900 .6034 -.6076 .6594 .0373 .2965 -.2252 97 TYR 97 -.3077 -.3337 999.9900 999.9900 .5630 -.0261 .6762 -.1627 .1869 .0870 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5774 .4671 .5162 -.4134 99 HIS 99 -.6280 -1.5062 999.9900 999.9900 .6686 -.4885 .6717 .3197 .4663 -.0949 100 ASN 100 -3.4329 .9797 999.9900 999.9900 .7518 -.5671 .6788 .3821 .5057 -.1281 101 MET 101 -2.2339 -1.7864 999.9900 .9587 .5203 -.6353 .6801 .5220 .5879 -.2232 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6765 .2424 .4284 .3495 Means: -.7237 -1.5564 -.4744 .2580 .7095 -.3264 .6522 .2132 .3969 -.0344 2.00 analyzed_11