1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6735 .5059 .5820 .1182 2 GLY 2 -1.0419 999.9900 999.9900 999.9900 .7883 -.1268 .5727 .4659 .5134 .1962 3 HIS 3 -.9818 -2.4183 999.9900 999.9900 .6686 -.9105 .6816 .3237 .4728 -.3452 4 HIS 4 .1079 -2.4183 999.9900 999.9900 .6686 -.5473 .6735 .3136 .4636 -.1309 5 HIS 5 -1.7665 -2.0147 999.9900 999.9900 .6686 -1.0376 .6770 .3342 .4770 -.4203 6 HIS 6 -.1922 -3.1083 999.9900 999.9900 .6686 -.8773 .6750 .3189 .4673 -.3276 7 HIS 7 -.2950 -3.1083 999.9900 999.9900 .6686 -.9116 .6824 .3183 .4700 -.3468 8 HIS 8 -.3815 -3.1083 999.9900 999.9900 .6686 -.9404 .6811 .3175 .4690 -.3645 9 LEU 9 -.0792 -2.1315 999.9900 999.9900 .9565 -.4181 .6777 .1536 .3720 -.0846 10 GLU 10 -1.9801 -1.7714 999.9900 .3501 .6899 -.6779 .6795 .5291 .5918 -.2505 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6708 .5170 .5811 -.4246 12 ALA 12 -1.2072 999.9900 999.9900 999.9900 .7458 -.2307 .6663 .3211 .4650 .1315 13 SER 13 -2.0349 999.9900 -.7153 999.9900 .6705 -.6932 .6747 .5301 .5904 -.1750 14 GLU 14 -.8477 -1.7714 999.9900 .3501 .6899 -.3948 .6683 .5236 .5839 -.0645 15 GLU 15 -2.8104 -1.7714 999.9900 .3501 .6899 -.8854 .6775 .5339 .5938 -.3884 16 GLY 16 .1996 999.9900 999.9900 999.9900 .7883 .4939 .5846 .4686 .5202 .5103 17 GLN 17 -.6340 -2.6982 999.9900 1.3059 .5113 -.3788 .6762 .5210 .5856 -.0530 18 VAL 18 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6589 .1119 .3398 .1620 19 ILE 19 -.1621 -1.4255 999.9900 999.9900 .6034 -.3281 .6565 .0392 .2964 -.0577 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6666 .3155 .4618 .2423 21 CYS 21 -.6060 999.9900 .1296 999.9900 .9108 .1448 .6773 .3171 .4672 .2858 22 HIS 22 -1.1973 .6809 999.9900 999.9900 .6686 .0508 .6762 .3334 .4762 .2324 23 THR 23 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6595 -.2424 .1334 -.1650 24 VAL 24 .7260 999.9900 .3968 999.9900 .7810 .6346 .6619 .1186 .3450 .5369 25 GLU 25 .7157 -1.2470 999.9900 -1.0323 .6899 -.2184 .6785 .5226 .5875 .0546 26 THR 26 .9379 999.9900 -.2947 999.9900 .4476 .3636 .6567 -.2570 .1237 .2981 27 TRP 27 .9545 .0052 999.9900 999.9900 .9378 .6325 .6788 .1884 .3927 .5529 28 ASN 28 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .6792 .3744 .5014 .0306 29 GLU 29 .8604 .5461 999.9900 -1.0323 .6899 .2660 .6755 .5233 .5868 .3772 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6744 .5196 .5841 .1750 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6729 .1607 .3741 .2202 32 GLN 32 .7451 .1466 999.9900 1.3059 .5113 .6772 .6731 .5198 .5837 .6503 33 LYS 33 .8536 -1.8181 999.9900 -.0397 .7460 -.0596 .6671 .1542 .3679 .0748 34 ALA 34 .6496 999.9900 999.9900 999.9900 .7458 .6977 .6645 .3303 .4695 .5976 35 ASN 35 -.1896 -1.8756 999.9900 999.9900 .7518 -.4378 .6720 .3752 .4989 -.0532 36 GLU 36 .1449 -.0968 999.9900 -1.0323 .6899 -.0736 .6772 .5234 .5875 .1511 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6801 .5404 .5986 .1623 38 LYS 38 -1.2247 -1.1755 999.9900 -.0770 .7460 -.3616 .6758 .1580 .3738 -.1392 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6600 -.2624 .1219 -.0471 40 LEU 40 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6809 .1505 .3715 -.3580 41 VAL 41 .3116 999.9900 -1.0788 999.9900 .7810 .0046 .6617 .1174 .3442 .1586 42 VAL 42 .3894 999.9900 -1.0788 999.9900 .7810 .0306 .6597 .1117 .3400 .1726 43 VAL 43 .2313 999.9900 -1.0788 999.9900 .7810 -.0221 .6558 .1238 .3455 .1426 44 ASP 44 -.2609 .0334 999.9900 999.9900 .8104 .1943 .6791 .3803 .5048 .3284 45 PHE 45 -.3673 .1608 999.9900 999.9900 .7573 .1836 .6751 .0957 .3371 .2643 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6515 -.2494 .1260 -.0198 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6729 .3268 .4710 .3029 48 SER 48 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6752 .5262 .5883 .3811 49 TRP 49 -1.3140 -3.3859 999.9900 999.9900 .9378 -1.2540 .6790 .1892 .3933 -.5788 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6785 .3178 .4681 -.1543 51 GLY 51 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .3571 .4676 .4185 -.1699 52 PRO 52 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5450 -.3799 .0055 -.1248 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6858 .3153 .4697 .2482 54 ARG 54 .6041 -1.8960 999.9900 1.0856 .8581 .3475 .6723 .5156 .5809 .4179 55 PHE 55 -.0970 -.8691 999.9900 999.9900 .7573 -.0696 .6758 .1080 .3446 .1150 56 ILE 56 -1.5441 -3.0500 999.9900 999.9900 .6034 -1.3302 .6592 .0481 .3027 -.6567 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4805 .3201 .3870 .4775 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5570 -.3556 .0246 -.1157 59 PHE 59 1.0502 -1.8165 999.9900 999.9900 .7573 -.0030 .6709 .1117 .3447 .1547 60 PHE 60 .6090 -.8310 999.9900 999.9900 .7573 .1785 .6731 .1113 .3454 .2640 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6631 .3204 .4632 .5233 62 ASP 62 1.0815 -.7868 999.9900 999.9900 .8104 .3683 .6724 .3784 .5009 .4312 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6785 .1627 .3776 .0172 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6656 .3213 .4647 .6241 65 LYS 65 .4938 -1.5918 999.9900 -.4035 .7460 -.2318 .6708 .1469 .3652 -.0488 66 LYS 66 .0670 -1.6955 999.9900 -.4035 .7460 -.3379 .6769 .1587 .3746 -.1220 67 LEU 67 -1.7747 -2.3037 999.9900 999.9900 .9565 -1.0406 .4950 .1623 .3009 -.4929 68 PRO 68 -.1497 999.9900 999.9900 999.9900 .4496 .1500 .5464 -.3980 -.0045 .1121 69 ASN 69 .3246 -3.3254 999.9900 999.9900 .7518 -.7496 .6769 .3805 .5040 -.2383 70 VAL 70 .4158 999.9900 .4980 999.9900 .7810 .5650 .6573 .1335 .3518 .4971 71 LEU 71 -.0411 -2.2115 999.9900 999.9900 .9565 -.4320 .6693 .1633 .3742 -.0927 72 PHE 72 .1097 -1.0645 999.9900 999.9900 .7573 -.0658 .6794 .1027 .3430 .1169 73 LEU 73 -.5127 -2.4128 999.9900 999.9900 .9565 -.6564 .6750 .1567 .3727 -.2275 74 LYS 74 -.1665 -1.8181 999.9900 -.4035 .7460 -.4091 .6689 .1618 .3731 -.1736 75 VAL 75 .1158 999.9900 .5873 999.9900 .7810 .4947 .6550 .1080 .3359 .4494 76 ASP 76 -.0277 -2.4630 999.9900 999.9900 .8104 -.5601 .6784 .3828 .5060 -.1238 77 THR 77 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6563 -.2575 .1232 .0891 78 ASP 78 .2251 -2.0001 999.9900 999.9900 .8104 -.3215 .6827 .3865 .5099 .0209 79 GLU 79 -3.2255 -1.5476 999.9900 .3501 .6899 -.9333 .6758 .5185 .5840 -.4231 80 LEU 80 -3.3085 -2.5464 999.9900 999.9900 .9565 -1.6328 .6760 .1499 .3691 -.8145 81 LYS 81 .9480 -1.5918 999.9900 -.4035 .7460 -.1410 .6803 .1574 .3753 .0190 82 SER 82 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6693 .5282 .5870 .4120 83 VAL 83 .8065 999.9900 -.0276 999.9900 .7810 .5200 .6602 .1269 .3491 .4694 84 ALA 84 .6648 999.9900 999.9900 999.9900 .7458 .7053 .6635 .3292 .4685 .6008 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6796 .5295 .5921 .4511 86 ASP 86 1.3227 -1.7105 999.9900 999.9900 .8104 .1409 .6745 .3774 .5012 .2949 87 TRP 87 -.7928 -.7344 999.9900 999.9900 .9378 -.1965 .6849 .1924 .3976 .0576 88 ALA 88 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6613 .3306 .4684 -.3327 89 ILE 89 -2.7096 .2838 999.9900 999.9900 .6034 -.6075 .6572 .0457 .3005 -.2239 90 GLN 90 -.5313 .7444 999.9900 1.3059 .5113 .5076 .6720 .5160 .5810 .5364 91 ALA 91 -1.0373 999.9900 999.9900 999.9900 .7458 -.1458 .6706 .3207 .4665 .1749 92 MET 92 -.6588 -.9517 999.9900 .9587 -1.9874 -.6598 .4911 .5155 .5053 -.2721 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5442 -.3523 .0213 .2653 94 THR 94 .4874 999.9900 -.8810 999.9900 .4476 .0180 .6550 -.2530 .1253 .0912 95 PHE 95 .0058 .5510 999.9900 999.9900 .7573 .4380 .6732 .0966 .3368 .4168 96 MET 96 -.2651 -1.3058 999.9900 .9587 .5203 -.0230 .6783 .5203 .5862 .1844 97 PHE 97 -.4973 -4.3038 999.9900 999.9900 .7573 -1.3479 .6736 .0914 .3340 -.6558 98 LEU 98 -1.1512 -3.3760 999.9900 999.9900 .9565 -1.1902 .6725 .1473 .3661 -.5502 99 LYS 99 -.6960 -.2831 999.9900 .5368 .7460 .1681 .6804 .1552 .3740 .2395 100 GLU 100 -1.4621 .1870 999.9900 1.1588 .6899 .1434 .6769 .5302 .5913 .2968 101 GLY 101 1.1139 999.9900 999.9900 999.9900 .7883 .9511 .5902 .4697 .5232 .7405 102 LYS 102 -.3350 -1.4228 999.9900 -.4035 .7460 -.3638 .6739 .1422 .3637 -.1432 103 ILE 103 -1.3252 .5533 999.9900 999.9900 .6034 -.0562 .6541 .0384 .2950 .1048 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6726 .1563 .3714 -.2709 105 ASP 105 -.6293 -.5889 999.9900 999.9900 .8104 -.1360 .6757 .3817 .5042 .1299 106 LYS 106 -1.5497 -.4196 999.9900 -.0397 .7460 -.2606 .6706 .1499 .3669 -.0689 107 VAL 107 .0764 999.9900 .4980 999.9900 .7810 .4518 .6588 .1290 .3498 .4287 108 VAL 108 .3372 999.9900 -1.0788 999.9900 .7810 .0132 .6478 .1225 .3414 .1620 109 GLY 109 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5860 .4689 .5210 .4017 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6681 .3168 .4632 .0702 111 LYS 111 -.9887 -2.1617 999.9900 -.4035 .7460 -.6423 .6734 .1503 .3683 -.3411 112 LYS 112 1.2214 -2.1617 999.9900 -.4035 .7460 -.2002 .6824 .1500 .3718 -.0241 113 ASP 113 .9343 -2.6388 999.9900 999.9900 .8104 -.2980 .6762 .3706 .4980 .0306 114 GLU 114 .6833 -2.8418 999.9900 -1.0323 .6899 -.6253 .6788 .5244 .5888 -.2163 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6802 .1595 .3764 -.1374 116 GLN 116 .1632 -1.9601 999.9900 1.3059 .5113 .0051 .6735 .5231 .5858 .2028 117 SER 117 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6759 .5260 .5885 .4066 118 THR 118 .9379 999.9900 -.8810 999.9900 .4476 .1682 .6539 -.2408 .1320 .1835 119 ILE 119 .6852 -1.4972 999.9900 999.9900 .6034 -.0695 .6538 .0504 .3018 .0991 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6674 .3216 .4657 .5678 121 LYS 121 1.0429 -2.9005 999.9900 -.0770 .7460 -.2531 .6738 .1521 .3695 -.0628 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6746 .3205 .4680 .4912 123 LEU 123 -1.4828 -3.3760 999.9900 999.9900 .9565 -1.3008 .6682 .1581 .3706 -.6152 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6599 .2707 .4375 .4653 Means: -.2404 -1.6322 -.5494 .1391 .7026 -.1959 .6583 .2394 .4145 .0539 2.00 analyzed_6