1 MET 1 999.9900 -1.1990 999.9900 .9587 .5203 .0933 .6704 .5027 .5789 .2906 2 ALA 2 -1.7824 999.9900 999.9900 999.9900 .7458 -.5183 .6708 .3117 .4613 -.0135 3 ASP 3 -2.8635 -1.6521 999.9900 999.9900 .8104 -1.2351 .6816 .3833 .5076 -.5281 4 THR 4 -.6608 999.9900 -.8810 999.9900 .4476 -.3648 .6596 -.2460 .1313 -.1361 5 GLY 5 -.6468 999.9900 999.9900 999.9900 .7883 .0708 .5820 .4753 .5227 .2997 6 GLU 6 -3.2255 -.8493 999.9900 .3501 .6899 -.7587 .6758 .5211 .5856 -.3063 7 VAL 7 -.3161 999.9900 -.5532 999.9900 .7810 -.0294 .6597 .1134 .3410 .1370 8 GLN 8 -.6665 -2.2325 999.9900 1.3059 .5113 -.2705 .6794 .5216 .5873 .0198 9 PHE 9 .2240 -.1636 999.9900 999.9900 .7573 .2726 .6724 .0968 .3366 .3174 10 MET 10 -.3815 -1.0247 999.9900 .9587 .5203 .0182 .6781 .5154 .5832 .2111 11 LYS 11 -.8267 -.7918 999.9900 -.4035 .7460 -.3359 .4943 .1546 .2961 -.1472 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5557 -.3496 .0276 .1669 13 PHE 13 .0058 -2.8600 999.9900 999.9900 .7573 -.6990 .6711 .1046 .3407 -.2642 14 ILE 14 .3543 -.0414 999.9900 999.9900 .6034 .3054 .6504 .0497 .3000 .3233 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6749 .5328 .5920 .2603 16 GLU 16 .8171 -1.6501 999.9900 -1.0323 .6899 -.2939 .6764 .5219 .5863 .0038 17 LYS 17 -1.1367 -1.6955 999.9900 .1731 .7460 -.3480 .6771 .1660 .3789 -.1281 18 SER 18 -1.2908 999.9900 -.7153 999.9900 .6705 -.4452 .6762 .5266 .5890 -.0266 19 SER 19 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6749 .5232 .5864 .3804 20 LYS 20 -3.0472 -2.1617 999.9900 .1731 .7460 -.8233 .6753 .1418 .3641 -.4714 21 SER 21 .0184 999.9900 -.7153 999.9900 .6705 -.0088 .6808 .5379 .5974 .2384 22 LEU 22 -.3112 -3.3760 999.9900 999.9900 .9565 -.9102 .6803 .1707 .3830 -.3759 23 GLU 23 -.5863 -1.6501 999.9900 -1.0323 .6899 -.6447 .6804 .5236 .5889 -.2291 24 ILE 24 .0813 -.3653 999.9900 999.9900 .6034 .1065 .4687 .0453 .2217 .1667 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5446 -.3843 .0027 .1555 26 LEU 26 -.5228 -1.2656 999.9900 999.9900 .9565 -.2773 .6747 .1514 .3694 -.0012 27 GLY 27 .1734 999.9900 999.9900 999.9900 .7883 .4808 .5711 .4651 .5122 .4995 28 PHE 28 -1.7494 -4.3038 999.9900 999.9900 .7573 -1.7653 .6786 .0935 .3373 -.9048 29 ASN 29 1.1272 -1.5725 999.9900 999.9900 .7518 .1022 .6736 .3699 .4965 .2700 30 GLU 30 .0468 -.6022 999.9900 -1.0323 .6899 -.2245 .6796 .5257 .5898 .0513 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6781 -.1723 .1820 -.5589 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4945 .0824 .2541 -.5546 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5536 -.3550 .0236 .2557 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4758 .3073 .3775 .2714 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5366 -.3635 .0115 .2606 36 PHE 36 -1.3242 -.9090 999.9900 999.9900 .7573 -.4920 .4926 .1149 .2723 -.1737 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5428 -.3593 .0166 .2053 38 ILE 38 -.2490 -1.4972 999.9900 999.9900 .6034 -.3809 .6578 .0393 .2970 -.0892 39 THR 39 -.5707 999.9900 .0483 999.9900 .4476 -.0249 .6599 -.2592 .1237 .0652 40 VAL 40 -.0582 999.9900 .9747 999.9900 .7810 .5658 .6549 .1195 .3426 .4944 41 ASP 41 -.5526 -.1036 999.9900 999.9900 .8104 .0514 .6777 .3815 .5049 .2427 42 LEU 42 -.4738 .1975 999.9900 999.9900 .9565 .2267 .6770 .1471 .3679 .3008 43 LEU 43 -.3571 -2.9612 999.9900 999.9900 .9565 -.7873 .6779 .1355 .3615 -.3097 44 ASP 44 -1.5212 -3.1847 999.9900 999.9900 .8104 -1.2985 .6820 .3759 .5034 -.5675 45 TYR 45 -1.0108 -.7659 999.9900 999.9900 .5630 -.4046 .6824 -.1660 .1875 -.1394 46 SER 46 -2.5541 999.9900 -.7153 999.9900 .6705 -.8663 .6756 .5285 .5898 -.2790 47 GLY 47 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5969 .4811 .5325 .2880 48 ARG 48 -.5733 .4387 999.9900 .5548 .8581 .3666 .6709 .5156 .5803 .4314 49 SER 49 .0374 999.9900 .6576 999.9900 .6705 .4552 .6802 .5343 .5951 .5160 50 TRP 50 -.2197 -2.2136 999.9900 999.9900 .9378 -.4985 .6737 .1840 .3880 -.1276 51 THR 51 .0164 999.9900 -.8810 999.9900 .4476 -.1390 .6617 -.2627 .1225 -.0036 52 VAL 52 .0815 999.9900 -.5532 999.9900 .7810 .1031 .6555 .1166 .3411 .2163 53 ARG 53 -.5160 -2.3766 999.9900 .5548 .8581 -.1850 .6698 .5063 .5744 .0359 54 MET 54 -.1025 -1.7864 999.9900 .9587 .5203 -.1025 .6785 .5155 .5834 .1307 55 LYS 55 -.3223 -1.9682 999.9900 -.4035 .7460 -.4703 .6837 .1502 .3725 -.2168 56 LYS 56 -.3543 -1.1257 999.9900 -.4035 .7460 -.3082 .6792 .1589 .3757 -.1004 57 ARG 57 -1.5415 -1.8960 999.9900 .1593 .8581 -.4522 .6776 .5157 .5832 -.1525 58 GLY 58 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .5708 .4660 .5126 .1401 59 GLU 59 -1.0162 -1.4588 999.9900 -1.0323 .6899 -.7044 .6758 .5112 .5798 -.2717 60 LYS 60 -.2345 -1.6955 999.9900 .2495 .7460 -.1370 .6802 .1496 .3707 .0207 61 VAL 61 -.0463 999.9900 .4980 999.9900 .7810 .4109 .6611 .1237 .3476 .4035 62 PHE 62 -.3916 .8190 999.9900 999.9900 .7573 .3949 .6743 .0947 .3362 .3907 63 LEU 63 -.7582 -1.6805 999.9900 999.9900 .9565 -.4941 .6744 .1536 .3706 -.1309 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6556 -.2661 .1179 -.8501 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6604 .1236 .3473 -.1442 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5746 .4640 .5132 -.1578 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6795 .1809 .3886 -.4560 68 GLU 68 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6720 .5158 .5809 -.1872 69 ASN 69 1.1272 -.7732 999.9900 999.9900 .7518 .3686 .6796 .3881 .5096 .4347 70 PHE 70 .8041 -1.6624 999.9900 999.9900 .7573 -.0336 .6726 .0943 .3353 .1332 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6596 .1097 .3388 .2910 72 LYS 72 .6780 -.8530 999.9900 -.0770 .7460 .0834 .6816 .1542 .3740 .1790 73 ASP 73 .9921 -1.4992 999.9900 999.9900 .8104 .1011 .6780 .3718 .4994 .2706 74 ASN 74 .3666 -2.0766 999.9900 999.9900 .7518 -.3194 .6797 .3805 .5051 .0204 75 ASN 75 -1.1452 .1037 999.9900 999.9900 .7518 -.0966 .6765 .3792 .5031 .1532 76 LEU 76 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6773 .1694 .3810 -.3550 77 GLU 77 -.6642 -2.8418 999.9900 .3501 .6899 -.6165 .6733 .5213 .5846 -.2119 78 ASP 78 -.7312 -2.0001 999.9900 999.9900 .8104 -.6403 .6750 .3776 .5015 -.1737 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5799 .4692 .5184 -.1138 80 LYS 80 -.7069 -1.2293 999.9900 -.4035 .7460 -.3994 .6778 .1566 .3738 -.1661 81 TYR 81 .3981 -2.7782 999.9900 999.9900 .5630 -.6057 .6759 -.1782 .1776 -.2639 82 LEU 82 -.7369 -2.4128 999.9900 999.9900 .9565 -.7311 .6799 .1494 .3704 -.2728 83 GLN 83 -.2750 -1.7668 999.9900 1.3059 .5113 -.0562 .6818 .5200 .5874 .1629 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6775 .1008 .3411 -.6028 85 ILE 85 .4877 -1.7901 999.9900 999.9900 .6034 -.2330 .6571 .0393 .2967 -.0005 86 TYR 86 .0406 -2.0063 999.9900 999.9900 .5630 -.4676 .6780 -.1721 .1821 -.1794 87 ASP 87 -1.5723 -1.4542 999.9900 999.9900 .8104 -.7387 .6735 .3757 .4998 -.2334 88 ARG 88 -1.7561 -2.3766 999.9900 .6901 .8581 -.3789 .6785 .5247 .5888 -.0987 89 ASP 89 -2.5838 -1.5978 999.9900 999.9900 .8104 -1.1237 .6762 .3800 .5034 -.4630 90 ARG 90 -1.3391 -2.8571 999.9900 .1593 .8581 -.6039 .6806 .5230 .5887 -.2594 91 THR 91 .3531 999.9900 -.8810 999.9900 .4476 -.0268 .6536 -.2578 .1219 .0631 92 PHE 92 .1097 -.9508 999.9900 999.9900 .7573 -.0279 .6748 .1213 .3519 .1425 93 TYR 93 .0214 .8258 999.9900 999.9900 .5630 .4700 .6721 -.1788 .1758 .3807 94 VAL 94 -.3909 999.9900 .4980 999.9900 .7810 .2960 .6572 .1212 .3445 .3333 95 ILE 95 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6553 .0517 .3032 -.6568 96 ILE 96 .2593 -1.4972 999.9900 999.9900 .6034 -.2115 .6546 .0314 .2911 .0103 97 TYR 97 -.3077 .8492 999.9900 999.9900 .5630 .3681 .6802 -.1722 .1830 .3225 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5760 .4686 .5163 -.0278 99 HIS 99 -3.0884 -1.5062 999.9900 999.9900 .6686 -1.3087 .6701 .3202 .4660 -.5871 100 ASN 100 -2.3558 -2.0766 999.9900 999.9900 .7518 -1.2269 .6736 .3835 .5044 -.5247 101 MET 101 -1.1708 -2.0676 999.9900 .9587 .5203 -.4398 .6810 .5182 .5860 -.0934 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6741 .2632 .4393 .3557 Means: -.6171 -1.6459 -.3978 .1034 .7095 -.3267 .6520 .2106 .3953 -.0351 2.00 analyzed_4