1 MET 1 999.9900 -1.1064 999.9900 .9587 .5203 .1242 .6752 .4937 .5762 .3083 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5754 .4735 .5188 -.4123 3 HIS 3 -1.0475 -1.0384 999.9900 999.9900 .6686 -.4724 .6765 .3350 .4773 -.0812 4 HIS 4 -.4125 -3.1083 999.9900 999.9900 .6686 -.9507 .6756 .3196 .4679 -.3714 5 HIS 5 -2.5191 -1.7284 999.9900 999.9900 .6686 -1.1929 .6738 .3128 .4632 -.5185 6 HIS 6 -1.0475 -3.1083 999.9900 999.9900 .6686 -1.1624 .6787 .3236 .4716 -.4970 7 HIS 7 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6669 .3184 .4636 -.9085 8 HIS 8 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6806 .3194 .4699 -.7918 9 LEU 9 -3.7702 .3261 999.9900 999.9900 .9565 -.8292 .6796 .1501 .3707 -.3316 10 GLU 10 -.6478 -1.9198 999.9900 -1.0323 .6899 -.7275 .6839 .5238 .5905 -.2837 11 MET 11 -2.2339 -2.5481 999.9900 .9587 .5203 -.8258 .6790 .5201 .5863 -.3507 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6661 .3199 .4641 -.4332 13 SER 13 -2.9368 999.9900 -.7153 999.9900 .6705 -.9939 .6799 .5363 .5961 -.3531 14 GLU 14 -2.2616 -2.8418 999.9900 -1.0323 .6899 -1.3615 .6739 .5118 .5793 -.7100 15 GLU 15 -2.3953 -.3402 999.9900 -1.0323 .6899 -.7695 .6821 .5170 .5858 -.3131 16 GLY 16 1.0529 999.9900 999.9900 999.9900 .7883 .9206 .5880 .4716 .5234 .7252 17 GLN 17 -.6340 -2.6982 999.9900 1.3059 .5113 -.3788 .6770 .5219 .5865 -.0527 18 VAL 18 -.0951 999.9900 .4980 999.9900 .7810 .3946 .6548 .1230 .3446 .3923 19 ILE 19 -.4647 -1.9342 999.9900 999.9900 .6034 -.5985 .6582 .0414 .2984 -.2192 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6695 .3247 .4684 .2453 21 CYS 21 .1194 999.9900 .1296 999.9900 .9108 .3866 .6728 .3225 .4685 .4310 22 HIS 22 -.9209 -.7214 999.9900 999.9900 .6686 -.3246 .6721 .3167 .4648 .0030 23 THR 23 .3976 999.9900 -.8810 999.9900 .4476 -.0120 .6607 -.2626 .1221 .0725 24 VAL 24 .7260 999.9900 .5873 999.9900 .7810 .6981 .6595 .1222 .3461 .5752 25 GLU 25 .7157 -1.4588 999.9900 -1.0323 .6899 -.2714 .6751 .5227 .5862 .0187 26 THR 26 .9379 999.9900 -.2947 999.9900 .4476 .3636 .6618 -.2359 .1382 .3033 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6817 .1805 .3893 .5519 28 ASN 28 .9310 -1.0869 999.9900 999.9900 .7518 .1986 .6736 .3782 .5013 .3295 29 GLU 29 .7157 .5502 999.9900 -1.0323 .6899 .2309 .6774 .5218 .5867 .3538 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6772 .5246 .5882 .1763 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6748 .1700 .3804 .2224 32 GLN 32 1.0064 -2.6982 999.9900 1.3059 .5113 .0314 .6790 .5287 .5914 .2222 33 LYS 33 .8536 -.6131 999.9900 -.4035 .7460 .0359 .6788 .1522 .3716 .1444 34 ALA 34 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6644 .3133 .4596 .5650 35 ASN 35 -.1896 -.8278 999.9900 999.9900 .7518 -.0885 .6817 .3859 .5091 .1604 36 GLU 36 .4426 -.8493 999.9900 -1.0323 .6899 -.1873 .6704 .5201 .5827 .0736 37 SER 37 -.5057 999.9900 -.7153 999.9900 .6705 -.1835 .6744 .5258 .5877 .1299 38 LYS 38 -1.0405 -.9951 999.9900 -.0397 .7460 -.2738 .6823 .1512 .3725 -.0765 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6526 -.2639 .1179 -.0489 40 LEU 40 -.1991 -3.3760 999.9900 999.9900 .9565 -.8728 .6765 .1652 .3782 -.3554 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6589 .1273 .3488 .1130 42 VAL 42 .4077 999.9900 -1.0788 999.9900 .7810 .0366 .6623 .1095 .3398 .1763 43 VAL 43 -.1306 999.9900 .3968 999.9900 .7810 .3491 .6543 .1097 .3366 .3622 44 ASP 44 -.2609 -.9083 999.9900 999.9900 .8104 -.1196 .6778 .3889 .5093 .1416 45 PHE 45 -.2560 .0419 999.9900 999.9900 .7573 .1811 .6725 .1047 .3413 .2641 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6531 -.2501 .1263 -.0196 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6657 .3189 .4634 .2992 48 SER 48 .7489 999.9900 .3727 999.9900 .6705 .5974 .6775 .5315 .5923 .6002 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6783 .1914 .3943 -.5785 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6727 .3113 .4619 -.1563 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3556 .4682 .4181 -.0078 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5494 -.3522 .0234 -.1167 53 CYS 53 -.1941 -1.0630 999.9900 .2382 .9108 -.0270 .6797 .3156 .4673 .1479 54 ARG 54 .6041 -.1877 999.9900 .1593 .8581 .3186 .6742 .5246 .5869 .3989 55 PHE 55 .1779 -.8310 999.9900 999.9900 .7573 .0347 .6730 .1048 .3415 .1764 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6578 .0342 .2940 -.6597 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4874 .3254 .3929 .4806 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5497 -.3681 .0143 -.1206 59 PHE 59 .4032 -1.8165 999.9900 999.9900 .7573 -.2187 .6725 .0963 .3364 .0226 60 PHE 60 .6090 -.4306 999.9900 999.9900 .7573 .3119 .6774 .0961 .3383 .3418 61 ALA 61 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6649 .3185 .4629 .5947 62 ASP 62 1.3227 -2.1980 999.9900 999.9900 .8104 -.0216 .6754 .3661 .4950 .1953 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6768 .1483 .3685 .0140 64 ALA 64 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6698 .3247 .4685 .5260 65 LYS 65 .0195 -1.6955 999.9900 -.0770 .7460 -.2168 .6706 .1601 .3728 -.0362 66 LYS 66 .8536 -1.5020 999.9900 .5761 .7460 .2499 .6802 .1677 .3812 .2996 67 LEU 67 -2.8468 -3.3760 999.9900 999.9900 .9565 -1.7554 .4891 .1615 .2980 -.9231 68 PRO 68 -1.9661 999.9900 999.9900 999.9900 .4496 -.7582 .5468 -.3583 .0189 -.3320 69 ASN 69 -2.1824 -2.3357 999.9900 999.9900 .7518 -1.2554 .6757 .3844 .5058 -.5413 70 VAL 70 -.3682 999.9900 .2799 999.9900 .7810 .2309 .6595 .1344 .3532 .2973 71 LEU 71 -.2787 -3.3760 999.9900 999.9900 .9565 -.8994 .6746 .1596 .3742 -.3728 72 PHE 72 .0966 -2.4384 999.9900 999.9900 .7573 -.5282 .6799 .1027 .3432 -.1604 73 LEU 73 -.7230 -2.9612 999.9900 999.9900 .9565 -.9092 .6819 .1418 .3669 -.3808 74 LYS 74 -.1665 -1.8181 999.9900 -.0770 .7460 -.2785 .6732 .1510 .3685 -.0812 75 VAL 75 .1158 999.9900 -1.0788 999.9900 .7810 -.0606 .6620 .1216 .3468 .1203 76 ASP 76 -.0277 -2.4630 999.9900 999.9900 .8104 -.5601 .6745 .3712 .4976 -.1269 77 THR 77 .1314 999.9900 .2916 999.9900 .4476 .2902 .6544 -.2594 .1214 .2531 78 ASP 78 .8349 -1.5978 999.9900 999.9900 .8104 .0159 .6752 .3825 .5045 .2211 79 GLU 79 -3.2255 -1.7714 999.9900 -1.0323 .6899 -1.3348 .6777 .5246 .5884 -.6895 80 LEU 80 -3.3085 -2.5464 999.9900 999.9900 .9565 -1.6328 .6746 .1537 .3707 -.8140 81 LYS 81 .6780 -2.9005 999.9900 .1140 .7460 -.2497 .6777 .1590 .3751 -.0588 82 SER 82 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6746 .5360 .5938 .4147 83 VAL 83 .9834 999.9900 .9747 999.9900 .7810 .9130 .6527 .1287 .3471 .7041 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6579 .3210 .4614 .6372 85 SER 85 .8651 999.9900 -.0289 999.9900 .6705 .5023 .6781 .5226 .5874 .5415 86 ASP 86 .9921 -.0074 999.9900 999.9900 .8104 .5984 .6759 .3834 .5053 .5709 87 TRP 87 -1.3140 -.7344 999.9900 999.9900 .9378 -.3702 .6761 .1851 .3897 -.0499 88 ALA 88 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6669 .3276 .4690 -.3321 89 ILE 89 -1.7126 -.0414 999.9900 999.9900 .6034 -.3835 .6607 .0410 .2992 -.0898 90 GLN 90 -1.1624 -1.9601 999.9900 1.3059 .5113 -.3263 .6751 .5166 .5826 -.0189 91 ALA 91 -1.2183 999.9900 999.9900 999.9900 .7458 -.2362 .6719 .3291 .4719 .1321 92 MET 92 -.8637 -.4373 999.9900 .9587 -1.9874 -.5824 .4935 .5181 .5079 -.2197 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5516 -.3474 .0272 .2684 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6553 -.2647 .1186 .0896 95 PHE 95 -.2255 -1.3145 999.9900 999.9900 .7573 -.2609 .6763 .1071 .3443 .0002 96 MET 96 -.2520 -2.0676 999.9900 .9587 .5203 -.2101 .6733 .5161 .5816 .0581 97 PHE 97 -.8057 -4.3038 999.9900 999.9900 .7573 -1.4507 .6748 .0919 .3348 -.7171 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6834 .1498 .3721 -.5475 99 LYS 99 -.4529 -.2831 999.9900 -.4035 .7460 -.1594 .6810 .1495 .3709 .0048 100 GLU 100 -1.4621 -.1645 999.9900 -1.0323 .6899 -.4923 .6747 .5206 .5848 -.1290 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5912 .4706 .5242 .7410 102 LYS 102 -.3543 -1.5918 999.9900 -.0770 .7460 -.2708 .6722 .1551 .3706 -.0753 103 ILE 103 -1.3252 -.2084 999.9900 999.9900 .6034 -.3100 .6587 .0485 .3027 -.0446 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6741 .1532 .3703 -.2712 105 ASP 105 -.6293 -2.3194 999.9900 999.9900 .8104 -.7128 .6796 .3802 .5050 -.2157 106 LYS 106 -1.0774 -1.2879 999.9900 .1140 .7460 -.2782 .6743 .1556 .3717 -.0802 107 VAL 107 -.0463 999.9900 .5873 999.9900 .7810 .4407 .6551 .1307 .3492 .4216 108 VAL 108 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6565 .1142 .3401 .0164 109 GLY 109 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5801 .4749 .5216 .4017 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6683 .3192 .4647 .0709 111 LYS 111 -.9887 -1.2879 999.9900 -.4035 .7460 -.4675 .6742 .1466 .3664 -.2167 112 LYS 112 .7090 -2.1617 999.9900 -.4035 .7460 -.3027 .6797 .1675 .3809 -.0952 113 ASP 113 .6354 -2.6388 999.9900 999.9900 .8104 -.3977 .6818 .3806 .5061 -.0261 114 GLU 114 .6833 -1.9198 999.9900 -1.0323 .6899 -.3947 .6735 .5129 .5798 -.0654 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6753 .1686 .3797 -.1365 116 GLN 116 .1632 -.7562 999.9900 2.7911 .5113 .6773 .6801 .5225 .5882 .6520 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6774 .5293 .5910 .4054 118 THR 118 .7717 999.9900 .6346 999.9900 .4476 .6180 .6609 -.2569 .1255 .4516 119 ILE 119 .6852 .4202 999.9900 999.9900 .6034 .5696 .6526 .0584 .3060 .4840 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6701 .3242 .4684 .5692 121 LYS 121 1.0429 -2.9005 999.9900 .3240 .7460 -.0927 .6782 .1519 .3712 .0524 122 HIS 122 .2028 .6357 999.9900 999.9900 .6686 .5024 .6804 .3202 .4703 .5015 123 LEU 123 -.9215 -3.3760 999.9900 999.9900 .9565 -1.1137 .6803 .1617 .3778 -.4998 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6593 .2442 .4221 .4518 Means: -.4201 -1.6834 -.2613 .0400 .7026 -.2559 .6590 .2395 .4148 .0173 2.00 analyzed_10