1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6723 .5032 .5800 .0213 2 GLY 2 -.9395 999.9900 999.9900 999.9900 .7883 -.0756 .5826 .4757 .5232 .2268 3 HIS 3 -1.9498 -2.0147 999.9900 999.9900 .6686 -1.0986 .6736 .3254 .4705 -.4594 4 HIS 4 -.2681 -3.1083 999.9900 999.9900 .6686 -.9026 .6818 .3323 .4779 -.3387 5 HIS 5 -.2681 .6357 999.9900 999.9900 .6686 .3454 .6727 .3202 .4671 .4058 6 HIS 6 -.9818 -1.1713 999.9900 999.9900 .6686 -.4948 .6802 .3115 .4651 -.0986 7 HIS 7 -.9818 -3.1083 999.9900 999.9900 .6686 -1.1405 .6780 .3301 .4751 -.4827 8 HIS 8 -1.1973 -3.1083 999.9900 999.9900 .6686 -1.2123 .6764 .3154 .4658 -.5290 9 LEU 9 -2.1150 -1.5832 999.9900 999.9900 .9565 -.9139 .6750 .1511 .3694 -.3831 10 GLU 10 -3.2255 -.8493 999.9900 -1.0323 .6899 -1.1043 .6726 .5231 .5854 -.5369 11 MET 11 -.7980 -2.0676 999.9900 .9587 .5203 -.3466 .6756 .5158 .5824 -.0325 12 ALA 12 -.9755 999.9900 999.9900 999.9900 .7458 -.1149 .6629 .3156 .4603 .1872 13 SER 13 -1.7828 999.9900 .6576 999.9900 .6705 -.1516 .6775 .5496 .6029 .1545 14 GLU 14 -.7635 -1.7714 999.9900 -1.0323 .6899 -.7193 .6740 .5284 .5891 -.2791 15 GLU 15 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6811 .5146 .5840 -.7153 16 GLY 16 .9290 999.9900 999.9900 999.9900 .7883 .8586 .5740 .4715 .5170 .6907 17 GLN 17 -.3854 -2.2325 999.9900 1.3059 .5113 -.2002 .6744 .5145 .5812 .0647 18 VAL 18 .0815 999.9900 -.5532 999.9900 .7810 .1031 .6577 .1246 .3467 .2183 19 ILE 19 .0718 -1.2776 999.9900 999.9900 .6034 -.2008 .6539 .0485 .3008 .0200 20 ALA 20 -1.1448 999.9900 999.9900 999.9900 .7458 -.1995 .6621 .3144 .4593 .1444 21 CYS 21 -.2217 999.9900 .8629 999.9900 .9108 .5173 .6747 .3122 .4633 .5078 22 HIS 22 -.7145 .8438 999.9900 999.9900 .6686 .2660 .6768 .3331 .4763 .3615 23 THR 23 -.5585 999.9900 -.2947 999.9900 .4476 -.1352 .6640 -.2258 .1450 .0065 24 VAL 24 .3707 999.9900 .8662 999.9900 .7810 .6726 .6602 .1198 .3450 .5596 25 GLU 25 .7157 -2.8418 999.9900 -1.0323 .6899 -.6171 .6789 .5245 .5888 -.2109 26 THR 26 1.2375 999.9900 .7650 999.9900 .4476 .8167 .6594 -.2680 .1184 .5683 27 TRP 27 .9545 -1.3095 999.9900 999.9900 .9378 .1943 .6813 .1926 .3962 .2913 28 ASN 28 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .6743 .3853 .5057 .0318 29 GLU 29 .8604 .5420 999.9900 1.7325 .6899 .9562 .6785 .5254 .5892 .8381 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6772 .5283 .5904 .1769 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6795 .1526 .3721 .2199 32 GLN 32 .7451 -1.9601 999.9900 1.3059 .5113 .1506 .6780 .5278 .5904 .3013 33 LYS 33 .8536 .7597 999.9900 -.4035 .7460 .3105 .6796 .1623 .3779 .3420 34 ALA 34 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6681 .2996 .4532 .5908 35 ASN 35 .6990 -2.0766 999.9900 999.9900 .7518 -.2086 .6777 .3748 .5010 .0853 36 GLU 36 .1449 -.3719 999.9900 -1.0323 .6899 -.1423 .6830 .5271 .5920 .1068 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6823 .5409 .5998 .1020 38 LYS 38 -1.3259 -1.9682 999.9900 -.0397 .7460 -.5255 .6807 .1583 .3760 -.2555 39 THR 39 -.6341 999.9900 -.8810 999.9900 .4476 -.3558 .6565 -.2402 .1334 -.1302 40 LEU 40 -.1625 -1.4036 999.9900 999.9900 .9565 -.2032 .6746 .1640 .3767 .0458 41 VAL 41 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6568 .1142 .3403 .1570 42 VAL 42 .5686 999.9900 -1.0788 999.9900 .7810 .0903 .6647 .1273 .3512 .2126 43 VAL 43 .2313 999.9900 1.0696 999.9900 .7810 .6940 .6617 .1089 .3392 .5705 44 ASP 44 -.6569 -.2794 999.9900 999.9900 .8104 -.0420 .6764 .3686 .4969 .1838 45 PHE 45 -.2457 -.6459 999.9900 999.9900 .7573 -.0447 .6781 .0895 .3347 .1267 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6532 -.2648 .1177 -.0225 47 ALA 47 -.5406 999.9900 999.9900 999.9900 .7458 .1026 .6671 .3166 .4626 .2972 48 SER 48 .6980 999.9900 .3727 999.9900 .6705 .5804 .6760 .5364 .5946 .5907 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6729 .1908 .3917 -.2362 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6785 .3177 .4681 -.1543 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3356 .4727 .4118 -.0117 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5321 -.3843 -.0024 .0481 53 CYS 53 .4024 -1.5342 999.9900 .2382 .9108 .0043 .6732 .3074 .4598 .1663 54 ARG 54 .6041 -.1877 999.9900 .1593 .8581 .3186 .6743 .5193 .5839 .3981 55 PHE 55 .1779 -.8691 999.9900 999.9900 .7573 .0220 .6772 .1063 .3441 .1699 56 ILE 56 -1.3063 -2.2551 999.9900 999.9900 .6034 -.9860 .6585 .0492 .3030 -.4501 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4830 .3145 .3847 .4768 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5397 -.3701 .0090 -.1236 59 PHE 59 .4032 -1.6624 999.9900 999.9900 .7573 -.1673 .6773 .0864 .3326 .0524 60 PHE 60 1.2230 -4.3038 999.9900 999.9900 .7573 -.7745 .6815 .1069 .3463 -.3070 61 ALA 61 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6638 .3187 .4625 .6790 62 ASP 62 .9343 -1.9171 999.9900 999.9900 .8104 -.0575 .6772 .3852 .5069 .1780 63 LEU 63 .2355 -3.3760 999.9900 999.9900 .9565 -.7280 .6745 .1550 .3714 -.2709 64 ALA 64 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6737 .3157 .4649 .6398 65 LYS 65 .0195 -1.6955 999.9900 -.4035 .7460 -.3474 .6750 .1585 .3737 -.1291 66 LYS 66 .0419 -2.9005 999.9900 -.4035 .7460 -.5839 .6825 .1616 .3787 -.2965 67 LEU 67 -.8268 -.1732 999.9900 999.9900 .9565 -.0145 .4785 .1503 .2870 .1171 68 PRO 68 -3.6843 999.9900 999.9900 999.9900 .4496 -1.6173 .5472 -.3978 -.0041 -.7713 69 ASN 69 -1.4401 -1.7113 999.9900 999.9900 .7518 -.7999 .6796 .3793 .5044 -.2681 70 VAL 70 .3116 999.9900 .8055 999.9900 .7810 .6327 .6550 .1290 .3482 .5364 71 LEU 71 -.0411 -2.9612 999.9900 999.9900 .9565 -.6819 .6825 .1543 .3744 -.2418 72 PHE 72 .1161 -1.6624 999.9900 999.9900 .7573 -.2630 .6796 .1062 .3451 -.0006 73 LEU 73 -.3571 -2.4128 999.9900 999.9900 .9565 -.6045 .6740 .1699 .3799 -.1939 74 LYS 74 -.3609 -2.9005 999.9900 .6133 .7460 -.2578 .6786 .1697 .3818 -.0629 75 VAL 75 .4077 999.9900 1.0696 999.9900 .7810 .7528 .6612 .1226 .3470 .6084 76 ASP 76 -.1054 -2.4630 999.9900 999.9900 .8104 -.5860 .6702 .3736 .4971 -.1429 77 THR 77 .3736 999.9900 .0483 999.9900 .4476 .2898 .6608 -.2434 .1334 .2574 78 ASP 78 .6418 -2.6388 999.9900 999.9900 .8104 -.3955 .6742 .3753 .4999 -.0274 79 GLU 79 -2.2616 -1.3804 999.9900 -1.0323 .6899 -.9961 .6739 .5089 .5776 -.4669 80 LEU 80 -3.3085 -3.3760 999.9900 999.9900 .9565 -1.9093 .6833 .1511 .3729 -.9787 81 LYS 81 .9480 -1.1257 999.9900 .6133 .7460 .3590 .6771 .1679 .3801 .3772 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6789 .5242 .5887 .4689 83 VAL 83 .2188 999.9900 -.2457 999.9900 .7810 .2514 .6623 .1255 .3492 .3084 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6658 .3209 .4646 .5993 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6766 .5317 .5921 .4509 86 ASP 86 1.1285 -1.7105 999.9900 999.9900 .8104 .0762 .6682 .3812 .5008 .2556 87 TRP 87 -1.3140 -.0877 999.9900 999.9900 .9378 -.1546 .6775 .1903 .3933 .0808 88 ALA 88 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6682 .3120 .4604 .0132 89 ILE 89 -2.7096 -.7522 999.9900 999.9900 .6034 -.9528 .6511 .0333 .2907 -.4348 90 GLN 90 -.9283 -.2198 999.9900 1.3059 .5113 .1673 .6768 .5258 .5887 .3119 91 ALA 91 -1.0373 999.9900 999.9900 999.9900 .7458 -.1458 .6639 .3261 .4669 .1746 92 MET 92 -.6588 -.2378 999.9900 .9587 -1.9874 -.4813 .4957 .5212 .5106 -.1514 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5463 -.3774 .0075 .2596 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6506 -.2625 .1180 .0884 95 PHE 95 .0058 -1.3145 999.9900 999.9900 .7573 -.1838 .6802 .1097 .3474 .0477 96 MET 96 -.2520 -1.5870 999.9900 .9587 .5203 -.0900 .6812 .5226 .5887 .1406 97 PHE 97 -.0168 -4.3038 999.9900 999.9900 .7573 -1.1878 .6704 .0986 .3368 -.5589 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6658 .1595 .3705 -.5491 99 LYS 99 -.4529 -.2831 999.9900 .5131 .7460 .2073 .6799 .1589 .3760 .2679 100 GLU 100 -1.4621 .5971 999.9900 -1.0323 .6899 -.3018 .6808 .5305 .5932 .0007 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5694 .4597 .5085 .7328 102 LYS 102 -.3350 -1.2879 999.9900 -.0397 .7460 -.1913 .6758 .1590 .3743 -.0173 103 ILE 103 -1.3252 .2821 999.9900 999.9900 .6034 -.1466 .6557 .0490 .3018 .0530 104 LEU 104 -2.5767 -.9670 999.9900 999.9900 .9565 -.8624 .6776 .1623 .3770 -.3495 105 ASP 105 -.9091 -3.7306 999.9900 999.9900 .8104 -1.2764 .6769 .3790 .5031 -.5547 106 LYS 106 -.8267 -2.4344 999.9900 .6506 .7460 -.2428 .6797 .1640 .3789 -.0529 107 VAL 107 -.3161 999.9900 -.5532 999.9900 .7810 -.0294 .6635 .1227 .3480 .1396 108 VAL 108 -.0951 999.9900 -.5532 999.9900 .7810 .0442 .6628 .1185 .3453 .1828 109 GLY 109 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5874 .4811 .5283 .3931 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6602 .3270 .4658 .0708 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6718 .1632 .3751 -.3395 112 LYS 112 .8536 -1.5918 999.9900 -.0770 .7460 -.0292 .6791 .1528 .3721 .0979 113 ASP 113 .9343 -1.0010 999.9900 999.9900 .8104 .2479 .6762 .3792 .5030 .3598 114 GLU 114 .6833 -.8493 999.9900 -1.0323 .6899 -.1271 .6708 .5139 .5793 .1127 115 LEU 115 .2355 -2.4128 999.9900 999.9900 .9565 -.4069 .6704 .1571 .3710 -.0786 116 GLN 116 .1632 -1.2219 999.9900 1.3059 .5113 .1896 .6783 .5253 .5891 .3270 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6830 .5336 .5958 .4095 118 THR 118 .7717 999.9900 -.2947 999.9900 .4476 .3082 .6547 -.2629 .1195 .2633 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6601 .0381 .2973 .4814 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6674 .3170 .4630 .5667 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6746 .1574 .3729 -.1552 122 HIS 122 .1567 1.0622 999.9900 999.9900 .6686 .6292 .6801 .3199 .4700 .5775 123 LEU 123 -.9215 -3.3760 999.9900 999.9900 .9565 -1.1137 .6740 .1491 .3678 -.5036 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6656 .2431 .4242 .4544 Means: -.2668 -1.6223 -.1516 .1101 .7026 -.1813 .6586 .2393 .4145 .0629 2.00 analyzed_13