1 GLU 1 999.9900 -1.0407 999.9900 -1.0323 .6899 -.4610 .6777 .5062 .5841 -.0398 2 ALA 2 -1.8806 999.9900 999.9900 999.9900 .7458 -.5674 .6639 .3249 .4661 -.0365 3 GLU 3 -1.3476 -.8169 999.9900 1.1588 .6899 -.0790 .6743 .5275 .5887 .1477 4 VAL 4 -.3548 999.9900 .3968 999.9900 .7810 .2743 .6591 .1255 .3478 .3215 5 HIS 5 -2.1861 -3.1083 999.9900 999.9900 .6686 -1.5419 .6749 .3245 .4705 -.7253 6 ASN 6 -3.4329 -2.7010 999.9900 999.9900 .7518 -1.7940 .6786 .3829 .5061 -.8641 7 GLN 7 -2.6620 -1.9601 999.9900 1.3059 .5113 -.7012 .6799 .5245 .5892 -.2667 8 LEU 8 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6778 .1474 .3684 -.2207 9 GLU 9 -.4857 -2.8418 999.9900 -1.0323 .6899 -.9175 .6676 .5136 .5778 -.4148 10 ILE 10 -.1535 -.3653 999.9900 999.9900 .6034 .0282 .6625 .0442 .3018 .1583 11 LYS 11 -.1715 -.8858 999.9900 -.0397 .7460 -.0781 .6720 .1536 .3696 .0621 12 PHE 12 .0490 .5863 999.9900 999.9900 .7573 .4642 .6805 .0939 .3383 .4334 13 ARG 13 -.4343 .7238 999.9900 .1593 .8581 .2932 .6788 .5233 .5881 .3812 14 LEU 14 -1.2495 -1.4262 999.9900 999.9900 .9565 -.5731 .6735 .1567 .3721 -.1778 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6569 -.2297 .1397 .0948 16 ASP 16 .0771 .9096 999.9900 999.9900 .8104 .5990 .6806 .3834 .5072 .5722 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5969 .4747 .5290 .7228 18 SER 18 .2908 999.9900 -.7153 999.9900 .6705 .0820 .6772 .5335 .5934 .2913 19 ASP 19 -.9509 -3.1847 999.9900 999.9900 .8104 -1.1084 .6768 .3849 .5065 -.4527 20 ILE 20 -.1535 -3.0500 999.9900 999.9900 .6034 -.8667 .6482 .0456 .2967 -.3813 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3235 .4682 .4039 .0127 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5400 -.3533 .0189 .2527 23 LYS 23 -.3414 -2.9005 999.9900 -.0397 .7460 -.5151 .6788 .1572 .3746 -.2485 24 ALA 24 -.7587 999.9900 999.9900 999.9900 .7458 -.0064 .6744 .3061 .4596 .2419 25 PHE 25 -.4041 -.4548 999.9900 999.9900 .7573 -.0339 .4898 .1039 .2647 .0984 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5423 -.3648 .0132 .2617 27 ASP 27 .2994 -.8253 999.9900 999.9900 .8104 .0948 .6759 .3857 .5066 .2692 28 ALA 28 -.8750 999.9900 999.9900 999.9900 .7458 -.0646 .6613 .3252 .4652 .2143 29 THR 29 -.3846 999.9900 -.8810 999.9900 .4476 -.2727 .6498 -.2556 .1216 -.0848 30 THR 30 -.0745 999.9900 .4804 999.9900 .4476 .2845 .6552 -.2451 .1301 .2527 31 VAL 31 -1.6906 999.9900 .5873 999.9900 .7810 -.1074 .6545 .1310 .3491 .0926 32 SER 32 .9076 999.9900 -.7153 999.9900 .6705 .2876 .6817 .5393 .5986 .4168 33 ALA 33 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6648 .3210 .4643 .6238 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6726 .1537 .3699 -.1429 35 LYS 35 .8536 -.4905 999.9900 -.4035 .7460 .0604 .6764 .1450 .3664 .1605 36 GLU 36 .8733 -1.4588 999.9900 -1.0323 .6899 -.2320 .6775 .5232 .5875 .0455 37 THR 37 1.1372 999.9900 -.2947 999.9900 .4476 .4300 .6623 -.2597 .1245 .3385 38 VAL 38 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6537 .1140 .3389 .2072 39 ILE 39 1.0067 -.0414 999.9900 999.9900 .6034 .5229 .6625 .0587 .3103 .4580 40 SER 40 .7489 999.9900 -.7153 999.9900 .6705 .2347 .6750 .5343 .5929 .3827 41 GLU 41 -.5578 -1.3804 999.9900 -1.0323 .6899 -.5702 .6723 .5177 .5821 -.1818 42 TRP 42 -.2990 -1.3095 999.9900 999.9900 .9378 -.2236 .4894 .1896 .3145 .0017 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5448 -.3680 .0124 -.1967 44 ARG 44 .2784 -1.3337 999.9900 .5548 .8581 .1825 .6726 .5179 .5824 .3004 45 GLU 45 -.1289 -1.4588 999.9900 -1.0323 .6899 -.4825 .6769 .5239 .5877 -.1215 46 LYS 46 -2.5748 -1.4228 999.9900 .1731 .7460 -.5811 .6779 .1622 .3771 -.2951 47 GLU 47 -3.2255 -1.6501 999.9900 -1.0323 .6899 -1.3045 .6748 .5312 .5911 -.6687 48 ASN 48 -2.5793 -1.0869 999.9900 999.9900 .7518 -.9715 .6765 .3785 .5027 -.3719 49 GLY 49 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .3256 .4662 .4037 -.3481 50 PRO 50 -2.2417 999.9900 999.9900 999.9900 .4496 -.8960 .5411 -.3478 .0226 -.3997 51 LYS 51 -3.5196 -.7357 999.9900 .1140 .7460 -.6563 .6747 .1498 .3685 -.3510 52 THR 52 .2328 999.9900 -.8810 999.9900 .4476 -.0669 .6579 -.2477 .1296 .0419 53 VAL 53 .1911 999.9900 -1.0788 999.9900 .7810 -.0355 .6584 .1199 .3443 .1343 54 LYS 54 .4938 -.9566 999.9900 -.0397 .7460 .0407 .6814 .1458 .3690 .1473 55 GLU 55 -1.8465 -.8493 999.9900 .3501 .6899 -.4140 .6743 .5224 .5857 -.0765 56 VAL 56 .0429 999.9900 .3968 999.9900 .7810 .4069 .6562 .1213 .3441 .3996 57 LYS 57 -.2512 -1.2879 999.9900 .3546 .7460 -.0167 .6813 .1515 .3722 .1070 58 LEU 58 .1006 -2.9612 999.9900 999.9900 .9565 -.6347 .6767 .1496 .3692 -.2156 59 ILE 59 .1962 .6122 999.9900 999.9900 .6034 .4706 .6583 .0383 .2966 .4217 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6771 .5299 .5912 -.0099 61 ALA 61 -1.7531 999.9900 999.9900 999.9900 .7458 -.5036 .6677 .3241 .4673 -.0039 62 GLY 62 .1294 999.9900 999.9900 999.9900 .7883 .4589 .5716 .4643 .5120 .4884 63 LYS 63 -.3099 -2.9005 999.9900 -.4035 .7460 -.6543 .6769 .1571 .3737 -.3482 64 VAL 64 -.4192 999.9900 .4980 999.9900 .7810 .2866 .6542 .1202 .3427 .3269 65 LEU 65 -.8682 -3.3760 999.9900 999.9900 .9565 -1.0959 .6804 .1572 .3752 -.4900 66 GLU 66 -.5863 -2.3808 999.9900 -1.0323 .6899 -.8274 .6782 .5168 .5840 -.3524 67 ASN 67 .1528 -1.5725 999.9900 999.9900 .7518 -.2226 .6785 .3767 .5024 .0775 68 SER 68 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6769 .5260 .5889 .2535 69 LYS 69 -.9723 -.5490 999.9900 .1140 .7460 -.1094 .6732 .1676 .3782 .0419 70 THR 70 -.4045 999.9900 -.8810 999.9900 .4476 -.2793 .6576 -.2478 .1295 -.0856 71 VAL 71 .3707 999.9900 .3968 999.9900 .7810 .5162 .6562 .1302 .3494 .4670 72 LYS 72 .6751 -1.8181 999.9900 .1731 .7460 -.0102 .6807 .1689 .3822 .1141 73 ASP 73 .2251 -2.1980 999.9900 999.9900 .8104 -.3875 .6778 .3815 .5050 -.0206 74 TYR 74 -1.2400 -4.1972 999.9900 999.9900 .5630 -1.6248 .6712 -.1762 .1769 -.8759 75 ARG 75 -.5270 -2.8571 999.9900 1.0005 .8581 -.1050 .6793 .5123 .5819 .0952 76 SER 76 -.4317 999.9900 -.7153 999.9900 .6705 -.1588 .4815 .5307 .5102 .1071 77 PRO 77 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5402 -.3757 .0059 .1565 78 VAL 78 -2.0289 999.9900 -1.0788 999.9900 .7810 -.7755 .6553 .1163 .3409 -.3110 79 SER 79 -2.5541 999.9900 -.7153 999.9900 .6705 -.8663 .6729 .5236 .5858 -.2805 80 ASN 80 -1.5699 -2.3357 999.9900 999.9900 .7518 -1.0513 .6827 .3877 .5106 -.4167 81 LEU 81 -3.7702 -3.3760 999.9900 999.9900 .9565 -2.0632 .6777 .1600 .3757 -1.0704 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6682 .3262 .4687 -.4311 83 GLY 83 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5801 .4686 .5182 -.0268 84 ALA 84 -1.0292 999.9900 999.9900 999.9900 .7458 -.1417 .6676 .3181 .4637 .1756 85 VAL 85 -.7345 999.9900 .7395 999.9900 .7810 .2620 .6532 .1248 .3450 .3128 86 THR 86 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6601 -.2495 .1295 .0936 87 THR 87 .1937 999.9900 -.2947 999.9900 .4476 .1155 .6544 -.2480 .1280 .1506 88 MET 88 -.3503 .0912 999.9900 .9587 .5203 .3050 .6727 .5185 .5827 .4018 89 HIS 89 -.4783 -.4813 999.9900 999.9900 .6686 -.0970 .6744 .3316 .4744 .1430 90 VAL 90 -.0951 999.9900 .5873 999.9900 .7810 .4244 .6565 .1094 .3374 .4078 91 ILE 91 .5210 -3.0500 999.9900 999.9900 .6034 -.6419 .6553 .0431 .2982 -.2454 92 ILE 92 -.0879 -1.7297 999.9900 999.9900 .6034 -.4047 .6538 .0405 .2961 -.1040 93 GLN 93 -1.2769 -1.4944 999.9900 1.3059 .5113 -.2385 .6756 .5242 .5873 .0410 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4692 .3185 .3813 .1431 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5549 -.3780 .0107 .0825 96 VAL 96 -3.8060 999.9900 -1.0788 999.9900 .7810 -1.3679 .6560 .1159 .3410 -.6663 97 THR 97 -.4672 999.9900 .6346 999.9900 .4476 .2050 .6554 -.2472 .1289 .2047 98 GLU 98 -3.2255 -1.5476 999.9900 -1.0323 .6899 -1.2789 .6684 .5205 .5821 -.6544 99 LYS 99 -3.0472 -1.5918 999.9900 -.0770 .7460 -.8094 .6768 .1571 .3736 -.4590 100 GLU 100 -2.8104 -2.1111 999.9900 -1.0323 .6899 -1.3160 .6775 .5235 .5877 -.6772 101 LYS 101 999.9900 .2358 999.9900 .2495 999.9900 .2450 .6800 -.0303 .2741 .2769 Means: -.7132 -1.5769 -.3555 -.0098 .6979 -.3002 .6469 .2067 .3907 -.0213 2.00 analyzed_2