1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6723 .5033 .5801 .1174 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 .7458 -.8476 .6611 .3190 .4615 -.1788 3 ASP 3 -1.0430 -.6983 999.9900 999.9900 .8104 -.3103 .6776 .3827 .5056 .0259 4 THR 4 -1.9480 999.9900 -.8810 999.9900 .4476 -.7938 .6615 -.2571 .1256 -.3954 5 GLY 5 -.8286 999.9900 999.9900 999.9900 .7883 -.0201 .5834 .4808 .5264 .2560 6 GLU 6 -2.8104 -1.9198 999.9900 -1.0323 .6899 -1.2682 .6736 .5095 .5779 -.6483 7 VAL 7 -.3161 999.9900 -.5532 999.9900 .7810 -.0294 .6509 .1247 .3440 .1375 8 GLN 8 -.5881 -2.6982 999.9900 2.7911 .5113 .0040 .6753 .5151 .5819 .2011 9 PHE 9 -.2255 .0697 999.9900 999.9900 .7573 .2005 .6786 .0894 .3349 .2739 10 MET 10 -.6588 -2.0676 999.9900 2.2863 .5203 .0201 .6764 .5106 .5797 .2112 11 LYS 11 -.4760 -1.8181 999.9900 -.4035 .7460 -.4710 .4954 .1444 .2906 -.2451 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5539 -.3644 .0182 .1628 13 PHE 13 -.2457 -1.3810 999.9900 999.9900 .7573 -.2898 .6849 .1068 .3477 -.0155 14 ILE 14 .2866 -1.7901 999.9900 999.9900 .6034 -.3000 .6469 .0509 .2993 -.0405 15 SER 15 .7489 999.9900 -.0289 999.9900 .6705 .4635 .6764 .5363 .5947 .5206 16 GLU 16 .4426 -1.7714 999.9900 -1.0323 .6899 -.4178 .6796 .5373 .5966 -.0757 17 LYS 17 -2.0221 -1.4228 999.9900 .6506 .7460 -.2796 .6799 .1505 .3711 -.0811 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6774 .5307 .5919 .2065 19 SER 19 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6792 .5323 .5935 .3805 20 LYS 20 -3.5196 -1.2879 999.9900 -.0770 .7460 -.8431 .6780 .1539 .3723 -.4834 21 SER 21 .0280 999.9900 -.7153 999.9900 .6705 -.0056 .6779 .5273 .5901 .2377 22 LEU 22 -.4552 -1.0979 999.9900 999.9900 .9565 -.1989 .6735 .1516 .3691 .0457 23 GLU 23 -.7635 -.9977 999.9900 -1.0323 .6899 -.5259 .6791 .5238 .5885 -.1501 24 ILE 24 -.1408 -1.5368 999.9900 999.9900 .6034 -.3581 .4686 .0443 .2211 -.1123 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5473 -.3726 .0107 .2497 26 LEU 26 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6762 .1629 .3768 -.0235 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5877 .4685 .5215 .6471 28 PHE 28 -.5116 -2.6964 999.9900 999.9900 .7573 -.8169 .6756 .0817 .3291 -.3387 29 ASN 29 .6990 -2.7010 999.9900 999.9900 .7518 -.4167 .6796 .3799 .5048 -.0381 30 GLU 30 -.3012 -2.1111 999.9900 -1.0323 .6899 -.6887 .6791 .5321 .5933 -.2573 31 TYR 31 -.5975 .7834 999.9900 999.9900 .5630 .2496 .6707 -.1855 .1713 .2468 32 PHE 32 -3.6149 -4.3038 999.9900 999.9900 .7573 -2.3871 .4904 .1016 .2636 -1.3139 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5475 -.3757 .0090 .0812 34 ALA 34 .0470 999.9900 999.9900 999.9900 .7458 .3964 .4650 .3231 .3822 .3952 35 PRO 35 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5478 -.3551 .0211 .1636 36 PHE 36 -.5560 -1.5726 999.9900 999.9900 .7573 -.4571 .4761 .1060 .2602 -.1578 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5470 -.3661 .0143 .2046 38 ILE 38 -1.8127 -.3653 999.9900 999.9900 .6034 -.5249 .6586 .0467 .3016 -.1739 39 THR 39 -1.0935 999.9900 .4804 999.9900 .4476 -.0552 .6587 -.2680 .1181 .0450 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6567 .1216 .3445 .0179 41 ASP 41 -.9091 -.3095 999.9900 999.9900 .8104 -.1360 .6836 .3929 .5140 .1337 42 LEU 42 .0291 -1.3818 999.9900 999.9900 .9565 -.1321 .6828 .1441 .3685 .0861 43 LEU 43 -1.2966 -2.5464 999.9900 999.9900 .9565 -.9621 .6802 .1561 .3745 -.4100 44 ASP 44 -.5058 -.6036 999.9900 999.9900 .8104 -.0997 .6703 .3828 .5026 .1508 45 TYR 45 -3.6999 -.8608 999.9900 999.9900 .5630 -1.3326 .6741 -.1719 .1806 -.6991 46 SER 46 -.2118 999.9900 -.7153 999.9900 .6705 -.0855 .6751 .5327 .5920 .1902 47 GLY 47 -.7692 999.9900 999.9900 999.9900 .7883 .0095 .5901 .4908 .5350 .2750 48 ARG 48 -.4155 -.8157 999.9900 .1593 .8581 -.0109 .6803 .5315 .5935 .1653 49 SER 49 -.5771 999.9900 -.7153 999.9900 .6705 -.2073 .6732 .5298 .5896 .1162 50 TRP 50 -.6038 -3.3859 999.9900 999.9900 .9378 -1.0173 .6771 .1760 .3848 -.4398 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6607 -.2405 .1350 -.0490 52 VAL 52 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6508 .1327 .3486 .1595 53 ARG 53 -.5383 -1.4154 999.9900 .5548 .8581 .0028 .6727 .5216 .5845 .1726 54 MET 54 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6751 .5189 .5839 -.0326 55 LYS 55 -.2345 -.2304 999.9900 -.4035 .7460 -.1052 .6787 .1516 .3712 .0435 56 LYS 56 -.7885 -2.9005 999.9900 -.0397 .7460 -.6045 .6791 .1547 .3732 -.3127 57 ARG 57 -1.3391 -2.3766 999.9900 .1593 .8581 -.5078 .6733 .5220 .5850 -.1920 58 GLY 58 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5814 .4741 .5218 -.1536 59 GLU 59 -1.0162 -.5578 999.9900 -1.0323 .6899 -.4791 .6809 .5229 .5887 -.1188 60 LYS 60 -.2345 -1.2293 999.9900 -.4035 .7460 -.3050 .6769 .1571 .3737 -.0987 61 VAL 61 .1037 999.9900 -.0276 999.9900 .7810 .2857 .6535 .1143 .3390 .3250 62 PHE 62 -.1316 -3.6820 999.9900 999.9900 .7573 -1.0188 .6736 .0889 .3325 -.4588 63 LEU 63 -.1836 -2.9612 999.9900 999.9900 .9565 -.7294 .6769 .1526 .3711 -.2718 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6555 -.2630 .1197 -.8495 65 VAL 65 -1.2071 999.9900 .1416 999.9900 .7810 -.0948 .6593 .1280 .3494 .1006 66 GLY 66 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5829 .4675 .5188 -.1135 67 TRP 67 .1793 -1.9067 999.9900 999.9900 .9378 -.2632 .6832 .1799 .3896 .0147 68 GLU 68 .8733 -2.1111 999.9900 1.1588 .6899 .1527 .6748 .5205 .5848 .3010 69 ASN 69 .1294 -.2320 999.9900 999.9900 .7518 .2164 .6781 .3874 .5085 .3430 70 PHE 70 .8041 -3.6820 999.9900 999.9900 .7573 -.7069 .6759 .1099 .3457 -.2669 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6596 .1208 .3453 .2932 72 LYS 72 .6780 -.2562 999.9900 -.4035 .7460 .0721 .6796 .1588 .3758 .1713 73 ASP 73 1.3227 -2.6388 999.9900 999.9900 .8104 -.1685 .6706 .3741 .4977 .1078 74 ASN 74 .3429 -1.0869 999.9900 999.9900 .7518 .0026 .6763 .3714 .4984 .2111 75 ASN 75 -2.3558 -.1757 999.9900 999.9900 .7518 -.5932 .6745 .3743 .4994 -.1462 76 LEU 76 -2.2364 -2.9612 999.9900 999.9900 .9565 -1.4137 .6742 .1650 .3771 -.6804 77 GLU 77 -1.2742 -1.9198 999.9900 -1.0323 .6899 -.8841 .6797 .5244 .5891 -.3887 78 ASP 78 -.4515 -.9304 999.9900 999.9900 .8104 -.1905 .6763 .3743 .5001 .0958 79 GLY 79 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5710 .4732 .5166 -.2098 80 LYS 80 -.7762 -1.3520 999.9900 -.4035 .7460 -.4378 .6748 .1637 .3767 -.1929 81 TYR 81 -.3370 -4.1972 999.9900 999.9900 .5630 -1.3238 .6695 -.1875 .1696 -.6978 82 LEU 82 -.1897 -1.9410 999.9900 999.9900 .9565 -.3914 .6809 .1629 .3787 -.0661 83 GLN 83 -1.7386 -2.6982 999.9900 1.3059 .5113 -.6549 .6743 .5202 .5844 -.2375 84 PHE 84 -.0168 .8160 999.9900 999.9900 .7573 .5189 .6810 .1097 .3477 .4695 85 ILE 85 .3408 .9074 999.9900 999.9900 .6034 .6172 .6609 .0498 .3044 .5125 86 TYR 86 .0686 -2.9749 999.9900 999.9900 .5630 -.7811 .6750 -.1850 .1733 -.3707 87 ASP 87 -.6569 -2.0928 999.9900 999.9900 .8104 -.6465 .6788 .3767 .5026 -.1768 88 ARG 88 -1.9585 .1176 999.9900 .6901 .8581 .0795 .6754 .5075 .5775 .2257 89 ASP 89 -1.4736 -3.7306 999.9900 999.9900 .8104 -1.4646 .6716 .3746 .4984 -.6695 90 ARG 90 -1.1245 -2.8571 999.9900 .5548 .8581 -.4028 .6750 .5179 .5834 -.1173 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6506 -.2495 .1255 -.0095 92 PHE 92 .0900 -.4548 999.9900 999.9900 .7573 .1308 .6769 .1131 .3480 .2365 93 TYR 93 .3730 .3463 999.9900 999.9900 .5630 .4274 .6781 -.1777 .1789 .3565 94 VAL 94 -.6656 999.9900 -1.0788 999.9900 .7810 -.3211 .6553 .1254 .3462 -.0365 95 ILE 95 -1.5441 -2.1272 999.9900 999.9900 .6034 -1.0226 .6557 .0381 .2954 -.4748 96 ILE 96 .2593 -2.4201 999.9900 999.9900 .6034 -.5191 .6534 .0456 .2989 -.1717 97 TYR 97 -.3077 -.7135 999.9900 999.9900 .5630 -.1527 .6780 -.1708 .1828 .0098 98 GLY 98 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5779 .4594 .5121 .0118 99 HIS 99 -1.7665 -1.1713 999.9900 999.9900 .6686 -.7564 .6772 .3189 .4682 -.2546 100 ASN 100 -3.4329 -2.0766 999.9900 999.9900 .7518 -1.5859 .6751 .3780 .5018 -.7409 101 MET 101 .1469 -1.3058 999.9900 .9587 .5203 .0800 .6747 .5197 .5843 .2524 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6711 .2531 .4322 .3513 Means: -.6688 -1.6449 -.5934 .1408 .7095 -.3491 .6514 .2116 .3957 -.0488 2.00 analyzed_14