1 MET 1 999.9900 -1.7864 999.9900 .9587 .5203 -.1025 .6782 .5116 .5873 .1765 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6667 .3117 .4596 -.0688 3 ASP 3 -.8323 -1.8420 999.9900 999.9900 .8104 -.6213 .6742 .3712 .4975 -.1637 4 THR 4 -4.2065 999.9900 .7650 999.9900 .4476 -.9980 .6581 -.2542 .1260 -.5180 5 GLY 5 -.7321 999.9900 999.9900 999.9900 .7883 .0281 .5812 .4749 .5222 .2781 6 GLU 6 -2.8104 -.6022 999.9900 -1.0323 .6899 -.9388 .6758 .5223 .5863 -.4262 7 VAL 7 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6602 .1376 .3553 .1163 8 GLN 8 -.6665 -2.6982 999.9900 1.3059 .5113 -.3869 .6740 .5184 .5832 -.0592 9 PHE 9 -.4296 -.4925 999.9900 999.9900 .7573 -.0549 .6794 .0803 .3299 .1190 10 MET 10 -.2651 -1.1064 999.9900 1.7963 .5203 .2363 .6760 .5183 .5840 .3566 11 LYS 11 -.2978 -2.9005 999.9900 -.0770 .7460 -.5213 .4827 .1582 .2934 -.2808 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5585 -.3480 .0297 .2586 13 PHE 13 .1032 -4.3038 999.9900 999.9900 .7573 -1.1478 .6709 .1013 .3386 -.5342 14 ILE 14 .5210 -1.5793 999.9900 999.9900 .6034 -.1516 .6559 .0579 .3071 .0518 15 SER 15 .4640 999.9900 -.7153 999.9900 .6705 .1397 .6762 .5317 .5919 .3254 16 GLU 16 .5470 -.8169 999.9900 -1.0323 .6899 -.1531 .6736 .5178 .5827 .0965 17 LYS 17 -1.1367 -1.4228 999.9900 -.4035 .7460 -.5241 .6799 .1468 .3689 -.2563 18 SER 18 -1.2908 999.9900 -.7153 999.9900 .6705 -.4452 .6716 .5285 .5881 -.0271 19 SER 19 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6798 .5321 .5937 .3832 20 LYS 20 -3.5196 -.7918 999.9900 .1140 .7460 -.6675 .6811 .1597 .3770 -.3566 21 SER 21 -.7443 999.9900 -.7153 999.9900 .6705 -.2630 .6797 .5388 .5975 .0859 22 LEU 22 -.6702 -1.9980 999.9900 999.9900 .9565 -.5706 .6767 .1433 .3656 -.1783 23 GLU 23 -.3890 -1.1358 999.9900 -1.0323 .6899 -.4668 .6790 .5182 .5852 -.1117 24 ILE 24 .2593 -.5302 999.9900 999.9900 .6034 .1108 .4744 .0340 .2175 .1682 25 PRO 25 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5456 -.3776 .0071 .1574 26 LEU 26 -.5228 -2.2115 999.9900 999.9900 .9565 -.5926 .6770 .1430 .3655 -.1916 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5794 .4763 .5221 .4755 28 PHE 28 -1.7494 -.4798 999.9900 999.9900 .7573 -.4906 .6780 .1041 .3432 -.1379 29 ASN 29 1.3908 -.5009 999.9900 999.9900 .7518 .5473 .6825 .3897 .5117 .5428 30 GLU 30 .0468 -2.1111 999.9900 -1.0323 .6899 -.6017 .6662 .5216 .5819 -.2032 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6796 -.1727 .1825 -.5587 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4830 .1018 .2607 -.5530 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5426 -.3636 .0140 .2508 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4868 .3266 .3933 .2790 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5390 -.3491 .0209 .2648 36 PHE 36 -1.5081 -.9090 999.9900 999.9900 .7573 -.5533 .4816 .1065 .2628 -.2143 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5392 -.3816 .0020 .1988 38 ILE 38 -.2490 -.3760 999.9900 999.9900 .6034 -.0072 .6542 .0279 .2889 .1321 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6596 -.2589 .1238 -.1683 40 VAL 40 -.0582 999.9900 -.2457 999.9900 .7810 .1590 .6587 .1378 .3548 .2547 41 ASP 41 -.6569 .1998 999.9900 999.9900 .8104 .1178 .6757 .3887 .5083 .2835 42 LEU 42 -.6154 -.8778 999.9900 999.9900 .9565 -.1789 .6765 .1451 .3665 .0570 43 LEU 43 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6788 .1424 .3659 -.2214 44 ASP 44 -1.3478 -2.1980 999.9900 999.9900 .8104 -.9118 .6769 .3807 .5041 -.3356 45 TYR 45 -1.0108 -4.1972 999.9900 999.9900 .5630 -1.5483 .6790 -.1901 .1720 -.8312 46 SER 46 -1.8983 999.9900 -.7153 999.9900 .6705 -.6477 .6743 .5382 .5949 -.1461 47 GLY 47 -.6631 999.9900 999.9900 999.9900 .7883 .0626 .5940 .4670 .5234 .2965 48 ARG 48 -.4155 -.5225 999.9900 .1593 .8581 .0478 .6755 .5219 .5859 .2052 49 SER 49 -.2734 999.9900 -.0289 999.9900 .6705 .1228 .6780 .5264 .5896 .3145 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6712 .1868 .3886 .1903 51 THR 51 .4171 999.9900 .2916 999.9900 .4476 .3854 .6523 -.2607 .1197 .3096 52 VAL 52 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6530 .1250 .3450 .0932 53 ARG 53 -.5160 -2.8571 999.9900 .7862 .8581 -.1885 .6783 .5093 .5797 .0350 54 MET 54 -.4857 .1064 999.9900 .9587 .5203 .2749 .6778 .5224 .5871 .3833 55 LYS 55 -.3038 -1.5918 999.9900 .6133 .7460 .0154 .6754 .1662 .3784 .1312 56 LYS 56 -.1765 -1.5020 999.9900 -.4035 .7460 -.3479 .6750 .1581 .3735 -.1295 57 ARG 57 -1.2223 -1.2607 999.9900 .1593 .8581 -.2612 .6758 .5184 .5839 -.0160 58 GLY 58 -.0489 999.9900 999.9900 999.9900 .7883 .3697 .5905 .4818 .5301 .4529 59 GLU 59 -.7734 -1.7714 999.9900 -1.0323 .6899 -.7218 .6754 .5266 .5886 -.2809 60 LYS 60 -.2075 -.0529 999.9900 -.4035 .7460 -.0643 .6791 .1601 .3764 .0740 61 VAL 61 .3116 999.9900 -.0276 999.9900 .7810 .3550 .6603 .1137 .3415 .3678 62 PHE 62 -.3916 -4.3038 999.9900 999.9900 .7573 -1.3127 .6753 .0916 .3348 -.6343 63 LEU 63 -.2181 -3.3760 999.9900 999.9900 .9565 -.8792 .6768 .1543 .3720 -.3613 64 THR 64 -3.2663 999.9900 -.8810 999.9900 .4476 -1.2333 .6559 -.2723 .1145 -.6632 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6596 .1317 .3516 -.1427 66 GLY 66 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5770 .4598 .5119 -.1583 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6785 .1831 .3895 -.4558 68 GLU 68 .6116 -.5367 999.9900 -1.0323 .6899 -.0669 .6738 .5198 .5840 .1544 69 ASN 69 .7786 -.1227 999.9900 999.9900 .7518 .4692 .6749 .3759 .5005 .4917 70 PHE 70 .6259 -3.3183 999.9900 999.9900 .7573 -.6450 .6844 .1058 .3469 -.2290 71 VAL 71 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6565 .1143 .3402 .2398 72 LYS 72 .6780 .6283 999.9900 -.4035 .7460 .2491 .6800 .1458 .3684 .2959 73 ASP 73 .9343 -1.4992 999.9900 999.9900 .8104 .0818 .6793 .3849 .5075 .2619 74 ASN 74 -.1320 -2.3357 999.9900 999.9900 .7518 -.5720 .6765 .3883 .5084 -.1302 75 ASN 75 -2.1824 .2680 999.9900 999.9900 .7518 -.3875 .6783 .3760 .5020 -.0217 76 LEU 76 -3.3085 -2.1315 999.9900 999.9900 .9565 -1.4945 .6778 .1345 .3609 -.7342 77 GLU 77 -1.3743 -2.8418 999.9900 -1.0323 .6899 -1.1396 .6829 .5236 .5900 -.5587 78 ASP 78 -1.0430 -1.6521 999.9900 999.9900 .8104 -.6282 .6731 .3833 .5040 -.1657 79 GLY 79 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5813 .4635 .5159 -.4133 80 LYS 80 -.5681 -.2432 999.9900 .2495 .7460 .0868 .6831 .1527 .3737 .1814 81 TYR 81 .0406 .2264 999.9900 999.9900 .5630 .2767 .6782 -.1928 .1701 .2631 82 LEU 82 .1006 .2345 999.9900 999.9900 .9565 .4305 .6794 .1558 .3740 .4254 83 GLN 83 -.1966 -2.6982 999.9900 1.3059 .5113 -.2694 .6785 .5255 .5892 .0211 84 PHE 84 -.2255 -1.3810 999.9900 999.9900 .7573 -.2830 .6757 .1077 .3443 -.0132 85 ILE 85 .0813 -1.6252 999.9900 999.9900 .6034 -.3135 .6573 .0452 .3002 -.0476 86 TYR 86 .6005 -2.3638 999.9900 999.9900 .5630 -.4001 .6817 -.1851 .1761 -.1408 87 ASP 87 -1.2094 -.9768 999.9900 999.9900 .8104 -.4586 .6779 .3791 .5036 -.0637 88 ARG 88 -1.2976 -.8531 999.9900 .1593 .8581 -.1948 .6804 .5264 .5905 .0332 89 ASP 89 -2.5838 -1.1348 999.9900 999.9900 .8104 -.9694 .6721 .3763 .4995 -.3720 90 ARG 90 -1.3391 -1.0788 999.9900 .7862 .8581 .0025 .6756 .5163 .5827 .1721 91 THR 91 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6584 -.2488 .1292 .0969 92 PHE 92 .1097 -.6014 999.9900 999.9900 .7573 .0885 .6759 .0987 .3392 .2081 93 TYR 93 .2641 .8492 999.9900 999.9900 .5630 .5588 .6734 -.1649 .1844 .4369 94 VAL 94 -.6656 999.9900 -.0276 999.9900 .7810 .0293 .6581 .1255 .3474 .1743 95 ILE 95 -.9405 -.5821 999.9900 999.9900 .6034 -.3064 .6506 .0345 .2912 -.0468 96 ILE 96 .3059 .5468 999.9900 999.9900 .6034 .4854 .6547 .0407 .2965 .4303 97 TYR 97 -.1387 .3565 999.9900 999.9900 .5630 .2602 .6763 -.1795 .1771 .2555 98 GLY 98 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5760 .4682 .5161 .3990 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6738 .3234 .4694 -.9062 100 ASN 100 -.4415 -.9481 999.9900 999.9900 .7518 -.2126 .6715 .3818 .5025 .0831 101 MET 101 -2.2339 -1.1990 999.9900 .9587 .5203 -.4885 .6800 .5231 .5885 -.1251 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6808 .2486 .4338 .3530 Means: -.6160 -1.4001 -.5094 .0700 .7095 -.2850 .6518 .2110 .3955 -.0094 2.00 analyzed_13