1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6718 .4999 .5780 .0205 2 GLY 2 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5861 .4691 .5211 -.4107 3 HIS 3 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6734 .3344 .4756 -.9041 4 HIS 4 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6708 .3222 .4675 -.9070 5 HIS 5 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6778 .3254 .4723 -.9050 6 HIS 6 -.6701 -1.7284 999.9900 999.9900 .6686 -.5766 .6787 .3178 .4682 -.1467 7 HIS 7 -.5879 .0552 999.9900 999.9900 .6686 .0453 .6770 .3176 .4673 .2261 8 HIS 8 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6765 .3252 .4716 -.9053 9 LEU 9 -2.8468 -2.1315 999.9900 999.9900 .9565 -1.3406 .6796 .1701 .3824 -.6344 10 GLU 10 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6715 .5207 .5835 -.7159 11 MET 11 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6767 .5036 .5757 -.4258 12 ALA 12 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6698 .3171 .4641 -.4330 13 SER 13 -1.6374 999.9900 -.7153 999.9900 .6705 -.5607 .6754 .5309 .5911 -.0952 14 GLU 14 -3.2255 -1.6501 999.9900 .3501 .6899 -.9589 .6790 .5269 .5903 -.4383 15 GLU 15 -3.2255 -.8834 999.9900 .3501 .6899 -.7672 .6748 .5268 .5885 -.3112 16 GLY 16 .7683 999.9900 999.9900 999.9900 .7883 .7783 .5918 .4769 .5280 .6563 17 GLN 17 -.5591 -2.6982 999.9900 1.3059 .5113 -.3600 .6817 .5239 .5896 -.0391 18 VAL 18 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6608 .1214 .3462 .1132 19 ILE 19 -.2299 .6122 999.9900 999.9900 .6034 .3286 .6528 .0422 .2966 .3361 20 ALA 20 -.7791 999.9900 999.9900 999.9900 .7458 -.0166 .6676 .3252 .4679 .2399 21 CYS 21 -.3751 999.9900 .1296 999.9900 .9108 .2218 .6730 .3143 .4638 .3305 22 HIS 22 -1.1973 .4588 999.9900 999.9900 .6686 -.0233 .6717 .3260 .4700 .1856 23 THR 23 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6535 -.2397 .1325 -.1156 24 VAL 24 .7260 999.9900 -1.0788 999.9900 .7810 .1428 .6562 .1261 .3470 .2421 25 GLU 25 .7157 -1.5476 999.9900 .3501 .6899 .0520 .6798 .5244 .5892 .2354 26 THR 26 .7717 999.9900 .4804 999.9900 .4476 .5666 .6611 -.2541 .1272 .4213 27 TRP 27 .3500 -1.9067 999.9900 999.9900 .9378 -.2063 .6765 .1974 .3971 .0510 28 ASN 28 1.1678 -2.0766 999.9900 999.9900 .7518 -.0523 .6773 .3722 .4993 .1785 29 GLU 29 .7157 -1.7714 999.9900 -1.0323 .6899 -.3495 .6731 .5213 .5845 -.0340 30 GLN 30 .9732 -2.2325 999.9900 1.3059 .5113 .1395 .6771 .5249 .5883 .2933 31 LEU 31 .9913 -2.5464 999.9900 999.9900 .9565 -.1995 .6687 .1626 .3735 .0465 32 GLN 32 1.0064 -1.4944 999.9900 1.3059 .5113 .3323 .6698 .5161 .5802 .4192 33 LYS 33 .6780 -.0828 999.9900 -.0770 .7460 .2374 .6771 .1609 .3759 .2893 34 ALA 34 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6592 .3238 .4636 .5231 35 ASN 35 1.1272 -2.3357 999.9900 999.9900 .7518 -.1522 .6758 .3753 .5005 .1189 36 GLU 36 .1449 .8225 999.9900 .3501 .6899 .5019 .6821 .5247 .5903 .5357 37 SER 37 -.6681 999.9900 -.7153 999.9900 .6705 -.2376 .6822 .5362 .5970 .1011 38 LYS 38 -1.2247 -1.1755 999.9900 -.4035 .7460 -.4922 .6751 .1681 .3793 -.2312 39 THR 39 -.1996 999.9900 -.8810 999.9900 .4476 -.2110 .6590 -.2618 .1219 -.0471 40 LEU 40 -.1479 -3.3760 999.9900 999.9900 .9565 -.8558 .6783 .1547 .3729 -.3469 41 VAL 41 .0764 999.9900 -1.0788 999.9900 .7810 -.0738 .6557 .1146 .3400 .1098 42 VAL 42 .3894 999.9900 -.5532 999.9900 .7810 .2058 .6583 .1209 .3448 .2793 43 VAL 43 -.3818 999.9900 -.5532 999.9900 .7810 -.0513 .6481 .1227 .3416 .1234 44 ASP 44 -.2609 -.4675 999.9900 999.9900 .8104 .0273 .6764 .3885 .5085 .2294 45 PHE 45 -.3673 -.1815 999.9900 999.9900 .7573 .0695 .6775 .1032 .3425 .1978 46 THR 46 .1631 999.9900 -.8810 999.9900 .4476 -.0901 .6635 -.2585 .1256 .0269 47 ALA 47 -.5338 999.9900 999.9900 999.9900 .7458 .1060 .6589 .3152 .4584 .2965 48 SER 48 .6980 999.9900 -.7153 999.9900 .6705 .2177 .6765 .5222 .5865 .3704 49 TRP 49 -1.3140 -1.6686 999.9900 999.9900 .9378 -.6816 .6727 .1883 .3901 -.2368 50 CYS 50 -1.0658 -2.0054 999.9900 .2382 .9108 -.4805 .6750 .3210 .4685 -.1544 51 GLY 51 -1.6434 999.9900 999.9900 999.9900 .7883 -.4276 .3457 .4771 .4187 -.0081 52 PRO 52 -.4052 999.9900 999.9900 999.9900 .4496 .0222 .5461 -.3587 .0183 .0579 53 CYS 53 .4024 -1.0630 999.9900 .2382 .9108 .1221 .6785 .3226 .4709 .2483 54 ARG 54 .6041 -1.0788 999.9900 .1593 .8581 .1404 .6723 .5163 .5813 .2701 55 PHE 55 .1779 -1.8165 999.9900 999.9900 .7573 -.2938 .6813 .1101 .3481 -.0180 56 ILE 56 -1.5441 -2.4201 999.9900 999.9900 .6034 -1.1203 .6520 .0270 .2874 -.5363 57 ALA 57 .3637 999.9900 999.9900 999.9900 .7458 .5548 .4857 .3221 .3903 .4793 58 PRO 58 -1.1138 999.9900 999.9900 999.9900 .4496 -.3321 .5554 -.3585 .0223 -.1168 59 PHE 59 1.0502 -1.8165 999.9900 999.9900 .7573 -.0030 .6770 .0975 .3389 .1531 60 PHE 60 .6090 -.2975 999.9900 999.9900 .7573 .3563 .6739 .0918 .3343 .3669 61 ALA 61 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6675 .3166 .4628 .5234 62 ASP 62 1.0149 -1.7735 999.9900 999.9900 .8104 .0173 .6820 .3817 .5068 .2231 63 LEU 63 .4996 -2.4128 999.9900 999.9900 .9565 -.3189 .6739 .1550 .3712 -.0256 64 ALA 64 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6655 .3081 .4570 .6207 65 LYS 65 .4938 .0465 999.9900 -.4035 .7460 .0959 .6840 .1626 .3798 .1894 66 LYS 66 -.3743 -1.9682 999.9900 .1140 .7460 -.2737 .6733 .1646 .3766 -.0758 67 LEU 67 -1.8089 -2.5464 999.9900 999.9900 .9565 -1.1329 .5023 .1554 .3000 -.5482 68 PRO 68 -.5342 999.9900 999.9900 999.9900 .4496 -.0423 .5489 -.3760 .0094 .0221 69 ASN 69 .4549 -2.7010 999.9900 999.9900 .7518 -.4981 .6722 .3742 .4984 -.0896 70 VAL 70 .3116 999.9900 -.5532 999.9900 .7810 .1798 .6629 .1147 .3431 .2634 71 LEU 71 -.1775 -.5159 999.9900 999.9900 .9565 .0877 .6766 .1507 .3698 .2181 72 PHE 72 .1097 -1.0645 999.9900 999.9900 .7573 -.0658 .6782 .1044 .3435 .1170 73 LEU 73 -.6392 -2.4128 999.9900 999.9900 .9565 -.6985 .6798 .1544 .3734 -.2522 74 LYS 74 -.2858 -2.9005 999.9900 .2868 .7460 -.3734 .6761 .1584 .3741 -.1475 75 VAL 75 .1158 999.9900 -.0276 999.9900 .7810 .2898 .6585 .1154 .3417 .3286 76 ASP 76 -.0277 -2.4630 999.9900 999.9900 .8104 -.5601 .6718 .3772 .5000 -.1263 77 THR 77 .4802 999.9900 -.2947 999.9900 .4476 .2110 .6615 -.2497 .1300 .2090 78 ASP 78 .6201 -3.1847 999.9900 999.9900 .8104 -.5847 .6837 .3876 .5110 -.1366 79 GLU 79 -1.2977 -2.3808 999.9900 .3501 .6899 -.6596 .6739 .5166 .5821 -.2413 80 LEU 80 -1.5748 -2.7185 999.9900 999.9900 .9565 -1.1123 .6798 .1410 .3655 -.5032 81 LYS 81 .6780 -1.5918 999.9900 .2495 .7460 .0662 .6806 .1610 .3775 .1675 82 SER 82 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6806 .5308 .5932 .4706 83 VAL 83 .2188 999.9900 -1.0788 999.9900 .7810 -.0263 .6589 .1173 .3429 .1395 84 ALA 84 .8241 999.9900 999.9900 999.9900 .7458 .7850 .6588 .3193 .4608 .6370 85 SER 85 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6823 .5304 .5937 .4708 86 ASP 86 1.1285 -2.6388 999.9900 999.9900 .8104 -.2333 .6733 .3838 .5044 .0715 87 TRP 87 -.3273 1.1164 999.9900 999.9900 .9378 .5756 .6749 .1827 .3878 .5169 88 ALA 88 -2.2093 999.9900 999.9900 999.9900 .7458 -.7317 .6706 .3157 .4636 -.1193 89 ILE 89 -.9289 -.2003 999.9900 999.9900 .6034 -.1753 .6570 .0463 .3008 .0355 90 GLN 90 -1.4152 -1.3908 999.9900 2.7911 .5113 .1241 .6812 .5284 .5920 .2843 91 ALA 91 -.6925 999.9900 999.9900 999.9900 .7458 .0266 .6674 .3295 .4703 .2626 92 MET 92 -.6588 -1.3058 999.9900 .9587 -1.9874 -.7484 .4847 .5115 .5003 -.3329 93 PRO 93 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5378 -.3659 .0106 .2603 94 THR 94 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6583 -.2720 .1156 .0888 95 PHE 95 .0058 -.7766 999.9900 999.9900 .7573 -.0045 .6787 .0916 .3362 .1514 96 MET 96 -.2922 .2906 999.9900 .9587 .5203 .3693 .6811 .5298 .5928 .4480 97 PHE 97 -.2986 -4.3038 999.9900 999.9900 .7573 -1.2817 .6711 .1065 .3417 -.6135 98 LEU 98 -1.2966 -3.3760 999.9900 999.9900 .9565 -1.2387 .6744 .1619 .3754 -.5760 99 LYS 99 -.3099 -1.0359 999.9900 .1731 .7460 -.0507 .6772 .1566 .3735 .0829 100 GLU 100 -1.4621 .5971 999.9900 -1.0323 .6899 -.3018 .6765 .5323 .5924 .0002 101 GLY 101 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5924 .4833 .5318 .7239 102 LYS 102 -.3161 -1.5020 999.9900 -.4035 .7460 -.3758 .6826 .1554 .3750 -.1487 103 ILE 103 -.8418 .0077 999.9900 999.9900 .6034 -.0769 .6632 .0474 .3040 .0960 104 LEU 104 -2.8468 -.9670 999.9900 999.9900 .9565 -.9524 .6765 .1586 .3744 -.4044 105 ASP 105 -.9091 -3.7306 999.9900 999.9900 .8104 -1.2764 .6839 .3773 .5050 -.5536 106 LYS 106 -.8267 -2.9005 999.9900 -.4035 .7460 -.7577 .6736 .1597 .3738 -.4221 107 VAL 107 -.0463 999.9900 -.0276 999.9900 .7810 .2357 .6599 .1166 .3430 .2967 108 VAL 108 -.0951 999.9900 -1.0788 999.9900 .7810 -.1310 .6593 .1242 .3472 .0781 109 GLY 109 -.5849 999.9900 999.9900 999.9900 .7883 .1017 .5947 .4742 .5277 .3180 110 ALA 110 -1.4499 999.9900 999.9900 999.9900 .7458 -.3521 .6728 .3240 .4693 .0732 111 LYS 111 -.9887 -1.2879 999.9900 -.4035 .7460 -.4675 .6778 .1556 .3732 -.2149 112 LYS 112 .8536 -1.8181 999.9900 .8634 .7460 .3016 .6766 .1539 .3717 .3341 113 ASP 113 .6354 -1.1348 999.9900 999.9900 .8104 .1037 .6823 .3866 .5098 .2760 114 GLU 114 .6116 -.7859 999.9900 -1.0323 .6899 -.1292 .6767 .5216 .5862 .1136 115 LEU 115 .2355 -2.2115 999.9900 999.9900 .9565 -.3398 .6679 .1593 .3712 -.0385 116 GLN 116 .1632 -.4358 999.9900 1.3059 .5113 .3861 .6802 .5210 .5873 .4576 117 SER 117 .8651 999.9900 -.7153 999.9900 .6705 .2734 .6831 .5386 .5988 .4084 118 THR 118 .7717 999.9900 .0483 999.9900 .4476 .4225 .6558 -.2426 .1317 .3362 119 ILE 119 .6852 -1.4972 999.9900 999.9900 .6034 -.0695 .6551 .0452 .2993 .0983 120 ALA 120 .5364 999.9900 999.9900 999.9900 .7458 .6411 .6678 .3164 .4628 .5666 121 LYS 121 1.0429 -2.4344 999.9900 -.0397 .7460 -.1450 .6718 .1563 .3711 .0147 122 HIS 122 .1567 .6357 999.9900 999.9900 .6686 .4870 .6747 .3341 .4760 .4940 123 LEU 123 -.5813 -3.3760 999.9900 999.9900 .9565 -1.0002 .6774 .1630 .3774 -.4321 124 ALA 124 999.9900 999.9900 999.9900 999.9900 999.9900 .0000 .6506 .2718 .4342 .4612 Means: -.3605 -1.6282 -.6067 .2037 .7026 -.2284 .6591 .2402 .4152 .0343 2.00 analyzed_5