1 MET 1 999.9900 -2.0676 999.9900 .9587 .5203 -.1962 .6718 .5080 .5824 .1182 2 GLY 2 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5938 .4750 .5278 -.2788 3 HIS 3 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6770 .3245 .4714 -.9053 4 HIS 4 -3.0884 -2.4183 999.9900 999.9900 .6686 -1.6127 .6794 .3225 .4712 -.7672 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6780 .3128 .4649 -.9075 6 HIS 6 -2.5191 -3.1083 999.9900 999.9900 .6686 -1.6529 .6781 .3263 .4729 -.7909 7 HIS 7 -1.6168 -1.0384 999.9900 999.9900 .6686 -.6622 .6787 .3111 .4643 -.1994 8 HIS 8 -1.6168 -3.1083 999.9900 999.9900 .6686 -1.3522 .6780 .3236 .4713 -.6110 9 LEU 9 -1.6816 -2.4128 999.9900 999.9900 .9565 -1.0460 .6775 .1593 .3752 -.4602 10 GLU 10 -1.7894 -.4584 999.9900 1.7325 .6899 .0437 .6779 .5244 .5884 .2295 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6750 .5172 .5830 -.4238 12 ALA 12 -1.6732 999.9900 999.9900 999.9900 .7458 -.4637 .6695 .3193 .4652 .0153 13 SER 13 -.9779 999.9900 .6576 999.9900 .6705 .1168 .6724 .5317 .5903 .3109 14 GLU 14 -2.5676 -2.1111 999.9900 -1.0323 .6899 -1.2553 .6723 .5283 .5883 -.6368 15 GLU 15 -3.2255 -.7564 999.9900 -1.0323 .6899 -1.0811 .6725 .5186 .5827 -.5222 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5671 .4741 .5154 .6494 17 GLN 17 -.6340 -2.6982 999.9900 1.3059 .5113 -.3788 .6760 .5240 .5873 -.0525 18 VAL 18 .1037 999.9900 -.5532 999.9900 .7810 .1105 .6621 .1238 .3481 .2235 19 ILE 19 -.4647 -1.3043 999.9900 999.9900 .6034 -.3885 .6559 .0441 .2990 -.0931 20 ALA 20 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6670 .3384 .4753 .2481 21 CYS 21 -.5218 999.9900 .1296 999.9900 .9108 .1729 .6722 .3155 .4641 .3013 22 HIS 22 -.7145 -.5551 999.9900 999.9900 .6686 -.2003 .6731 .3285 .4721 .0801 23 THR 23 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6625 -.2525 .1287 -.1664 24 VAL 24 .3707 999.9900 -1.0788 999.9900 .7810 .0243 .6545 .1246 .3454 .1704 25 GLU 25 .7157 -2.8418 999.9900 -1.0323 .6899 -.6171 .6756 .5131 .5809 -.2133 26 THR 26 .9379 999.9900 .7650 999.9900 .4476 .7168 .6597 -.2538 .1268 .5113 27 TRP 27 .9545 -2.6463 999.9900 999.9900 .9378 -.2513 .6760 .1904 .3927 .0225 28 ASN 28 1.0488 -2.7010 999.9900 999.9900 .7518 -.3001 .6826 .3775 .5047 .0320 29 GLU 29 .7157 .5420 999.9900 .3501 .6899 .5744 .6820 .5142 .5841 .5823 30 GLN 30 .7370 -2.6982 999.9900 1.3059 .5113 -.0360 .6798 .5191 .5860 .1758 31 LEU 31 .9913 -1.6805 999.9900 999.9900 .9565 .0891 .6774 .1617 .3765 .2213 32 GLN 32 .7451 -2.6982 999.9900 1.3059 .5113 -.0340 .6722 .5204 .5836 .1761 33 LYS 33 .8536 -1.3520 999.9900 -.0397 .7460 .0336 .6747 .1502 .3687 .1419 34 ALA 34 -.1584 999.9900 999.9900 999.9900 .7458 .2937 .6596 .3147 .4584 .3904 35 ASN 35 -.1896 -3.3254 999.9900 999.9900 .7518 -.9211 .6802 .3830 .5069 -.3400 36 GLU 36 .1449 .3424 999.9900 -1.0323 .6899 .0362 .6764 .5245 .5878 .2243 37 SER 37 -.3643 999.9900 -.7153 999.9900 .6705 -.1364 .6751 .5345 .5931 .1601 38 LYS 38 -1.2247 -1.1755 999.9900 -.4035 .7460 -.4922 .6752 .1462 .3666 -.2343 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6592 -.2437 .1325 -.0435 40 LEU 40 -.2181 -3.3760 999.9900 999.9900 .9565 -.8792 .6774 .1626 .3771 -.3595 41 VAL 41 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6530 .1272 .3463 .1128 42 VAL 42 .3894 999.9900 .3968 999.9900 .7810 .5224 .6536 .1199 .3423 .4681 43 VAL 43 -.3818 999.9900 -1.0788 999.9900 .7810 -.2265 .6574 .1322 .3510 .0220 44 ASP 44 -.2609 -2.0001 999.9900 999.9900 .8104 -.4835 .6714 .3851 .5044 -.0788 45 PHE 45 -.2560 .0419 999.9900 999.9900 .7573 .1811 .6754 .1032 .3416 .2644 46 THR 46 -.0676 999.9900 -.8810 999.9900 .4476 -.1670 .6587 -.2850 .1082 -.0255 47 ALA 47 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6665 .3077 .4572 .2352 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6791 .5368 .5961 .3738 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6709 .1880 .3892 -.2372 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6788 .3161 .4673 -.1545 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3346 .4726 .4113 -.0120 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5420 -.3604 .0156 .0565 53 CYS 53 .4024 -1.5342 999.9900 .2382 .9108 .0043 .6717 .3160 .4642 .1675 54 ARG 54 .6041 .3218 999.9900 .1593 .8581 .4205 .6796 .5168 .5847 .4713 55 PHE 55 -1.4579 -2.1527 999.9900 999.9900 .7573 -.9511 .6787 .0997 .3409 -.4150 56 ILE 56 -1.5964 -3.0500 999.9900 999.9900 .6034 -1.3477 .6577 .0378 .2961 -.6695 57 ALA 57 .7636 999.9900 999.9900 999.9900 .7458 .7547 .4651 .3237 .3826 .5745 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5437 -.3661 .0130 -.1216 59 PHE 59 1.0502 -1.6164 999.9900 999.9900 .7573 .0637 .6819 .1092 .3478 .1965 60 PHE 60 .6090 -2.0028 999.9900 999.9900 .7573 -.2122 .6762 .0951 .3372 .0270 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6695 .3158 .4632 .5237 62 ASP 62 1.0149 -1.1646 999.9900 999.9900 .8104 .2203 .6737 .3878 .5070 .3445 63 LEU 63 .4996 -2.2115 999.9900 999.9900 .9565 -.2518 .6753 .1571 .3730 .0154 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6657 .3243 .4666 .6249 65 LYS 65 .4938 -1.9682 999.9900 -.4035 .7460 -.3071 .6766 .1515 .3703 -.1010 66 LYS 66 .0419 -2.1617 999.9900 -.4035 .7460 -.4362 .6791 .1649 .3791 -.1910 67 LEU 67 -1.5748 -2.3037 999.9900 999.9900 .9565 -.9740 .4897 .1653 .3004 -.4534 68 PRO 68 -2.3165 999.9900 999.9900 999.9900 .4496 -.9334 .5419 -.3710 .0093 -.4240 69 ASN 69 -1.0675 -2.3357 999.9900 999.9900 .7518 -.8838 .6804 .3791 .5046 -.3184 70 VAL 70 -.3682 999.9900 .6672 999.9900 .7810 .3600 .6557 .1082 .3363 .3688 71 LEU 71 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6785 .1580 .3749 -.3014 72 PHE 72 .1097 -1.2830 999.9900 999.9900 .7573 -.1387 .6723 .0895 .3323 .0692 73 LEU 73 -.5127 -2.2115 999.9900 999.9900 .9565 -.5892 .6790 .1598 .3761 -.1858 74 LYS 74 -.3609 -1.8181 999.9900 -.4035 .7460 -.4480 .6731 .1618 .3748 -.2007 75 VAL 75 .3758 999.9900 -.5532 999.9900 .7810 .2012 .6632 .1304 .3524 .2795 76 ASP 76 -.3017 -2.8653 999.9900 999.9900 .8104 -.7856 .6788 .3857 .5078 -.2584 77 THR 77 .4802 999.9900 .4804 999.9900 .4476 .4694 .6539 -.2648 .1180 .3594 78 ASP 78 .6418 -2.6388 999.9900 999.9900 .8104 -.3955 .6761 .3747 .5003 -.0271 79 GLU 79 -1.9801 -1.9198 999.9900 .3501 .6899 -.7150 .6721 .5233 .5853 -.2774 80 LEU 80 -2.2364 -1.4996 999.9900 999.9900 .9565 -.9265 .6777 .1640 .3781 -.3875 81 LYS 81 .6780 -2.1617 999.9900 -.0770 .7460 -.1783 .6759 .1606 .3753 -.0079 82 SER 82 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6804 .5319 .5938 .4150 83 VAL 83 .8065 999.9900 .6672 999.9900 .7810 .7516 .6576 .1069 .3363 .6038 84 ALA 84 .9879 999.9900 999.9900 999.9900 .7458 .8668 .6666 .3148 .4614 .6788 85 SER 85 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6752 .5252 .5877 .4493 86 ASP 86 .9921 -2.6388 999.9900 999.9900 .8104 -.2788 .6813 .3689 .4990 .0428 87 TRP 87 -.7928 -.0877 999.9900 999.9900 .9378 .0191 .6779 .1841 .3899 .1839 88 ALA 88 -2.6726 999.9900 999.9900 999.9900 .7458 -.9634 .6711 .3142 .4629 -.2354 89 ILE 89 -1.5964 -.0414 999.9900 999.9900 .6034 -.3448 .6554 .0416 .2974 -.0675 90 GLN 90 -.8581 -2.6982 999.9900 1.3059 .5113 -.4348 .6782 .5171 .5842 -.0907 91 ALA 91 -.7739 999.9900 999.9900 999.9900 .7458 -.0141 .6692 .3207 .4659 .2404 92 MET 92 -.6588 -2.5481 999.9900 1.7963 -1.9874 -.8495 .4838 .5233 .5068 -.3985 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5328 -.3734 .0042 .2572 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6560 -.2655 .1185 .0896 95 PHE 95 .0058 -1.5726 999.9900 999.9900 .7573 -.2698 .6733 .1109 .3452 -.0051 96 MET 96 -.7980 -2.0676 999.9900 .9587 .5203 -.3466 .6701 .5236 .5846 -.0322 97 PHE 97 .0058 -3.0602 999.9900 999.9900 .7573 -.7657 .6752 .1130 .3472 -.3018 98 LEU 98 -1.1512 -2.5464 999.9900 999.9900 .9565 -.9137 .6791 .1676 .3807 -.3789 99 LYS 99 -.6960 -.2831 999.9900 .5368 .7460 .1681 .6785 .1674 .3804 .2409 100 GLU 100 -1.6450 -.3559 999.9900 -1.0323 .6899 -.5858 .6710 .5230 .5847 -.1915 101 GLY 101 1.1448 999.9900 999.9900 999.9900 .7883 .9665 .5938 .4879 .5350 .7537 102 LYS 102 -.3543 -.0243 999.9900 .5131 .7460 .2787 .6777 .1499 .3699 .3173 103 ILE 103 -1.3252 -.2679 999.9900 999.9900 .6034 -.3299 .6587 .0368 .2959 -.0588 104 LEU 104 -2.1729 -.9670 999.9900 999.9900 .9565 -.7278 .6792 .1744 .3847 -.2660 105 ASP 105 -.6293 -.5889 999.9900 999.9900 .8104 -.1360 .6759 .3880 .5080 .1312 106 LYS 106 -1.5497 -1.3520 999.9900 -.4035 .7460 -.5925 .6729 .1673 .3780 -.3032 107 VAL 107 -.3161 999.9900 .5873 999.9900 .7810 .3507 .6611 .1144 .3422 .3655 108 VAL 108 .1037 999.9900 -1.0788 999.9900 .7810 -.0647 .6576 .1364 .3535 .1200 109 GLY 109 -1.5840 999.9900 999.9900 999.9900 .7883 -.3979 .5907 .4738 .5257 .0672 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6694 .3160 .4633 .0703 111 LYS 111 -.1919 -1.5918 999.9900 -.0397 .7460 -.2234 .6749 .1664 .3783 -.0394 112 LYS 112 .2805 -1.5918 999.9900 -.4035 .7460 -.2745 .6792 .1454 .3678 -.0782 113 ASP 113 .6354 -2.0928 999.9900 999.9900 .8104 -.2157 .6810 .3852 .5084 .0838 114 GLU 114 .7157 -1.1891 999.9900 .3501 .6899 .1416 .6755 .5135 .5810 .2926 115 LEU 115 .2355 -2.7185 999.9900 999.9900 .9565 -.5088 .6769 .1669 .3794 -.1365 116 GLN 116 .1632 .4956 999.9900 1.3059 .5113 .6190 .6787 .5262 .5897 .6135 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6772 .5315 .5922 .4058 118 THR 118 .7717 999.9900 1.0667 999.9900 .4476 .7620 .6608 -.2671 .1195 .5359 119 ILE 119 .6852 .0606 999.9900 999.9900 .6034 .4497 .6518 .0490 .3001 .4100 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6674 .3133 .4609 .5657 121 LYS 121 1.0429 -2.9005 999.9900 -.4035 .7460 -.3837 .6765 .1537 .3715 -.1555 122 HIS 122 .1567 .2086 999.9900 999.9900 .6686 .3447 .6671 .3181 .4635 .4038 123 LEU 123 -.3571 -3.3760 999.9900 999.9900 .9565 -.9255 .6816 .1690 .3826 -.3852 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6498 .2608 .4276 .4553 Means: -.4032 -1.7666 -.2960 .1251 .7026 -.2593 .6583 .2399 .4147 .0152 2.00 analyzed_11