1 GLU 1 999.9900 -2.8418 999.9900 1.1588 .6899 -.3311 .6758 .5044 .5823 .0374 2 ALA 2 -2.8370 999.9900 999.9900 999.9900 .7458 -1.0456 .6657 .3222 .4653 -.2758 3 GLU 3 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6789 .5217 .5872 -.7145 4 VAL 4 -.3288 999.9900 -.2457 999.9900 .7810 .0688 .6570 .1239 .3460 .1975 5 HIS 5 -1.9498 -3.1083 999.9900 999.9900 .6686 -1.4632 .6788 .3260 .4730 -.6769 6 ASN 6 -.6706 -2.3357 999.9900 999.9900 .7518 -.7515 .6781 .3786 .5034 -.2396 7 GLN 7 -3.1236 -2.6982 999.9900 1.3059 .5113 -1.0012 .6776 .5256 .5889 -.4669 8 LEU 8 .0762 -3.3760 999.9900 999.9900 .9565 -.7811 .6755 .1638 .3770 -.3008 9 GLU 9 -.4857 -2.3808 999.9900 -1.0323 .6899 -.8022 .6768 .5160 .5830 -.3360 10 ILE 10 -.1366 .4743 999.9900 999.9900 .6034 .3137 .6639 .0431 .3017 .3296 11 LYS 11 -.2799 -2.9005 999.9900 -.4035 .7460 -.6483 .6696 .1620 .3735 -.3443 12 PHE 12 .0490 .5510 999.9900 999.9900 .7573 .4524 .6811 .1111 .3486 .4299 13 ARG 13 -.4343 .1080 999.9900 .1593 .8581 .1701 .6761 .5119 .5803 .2912 14 LEU 14 -.6961 -3.3760 999.9900 999.9900 .9565 -1.0385 .6791 .1398 .3645 -.4593 15 THR 15 .4802 999.9900 -.8810 999.9900 .4476 .0156 .6569 -.2524 .1265 .0903 16 ASP 16 .0771 -.2316 999.9900 999.9900 .8104 .2186 .6803 .3847 .5079 .3442 17 GLY 17 .6263 999.9900 999.9900 999.9900 .7883 .7073 .5665 .4636 .5093 .6112 18 SER 18 .2494 999.9900 -.7153 999.9900 .6705 .0682 .6800 .5331 .5943 .2835 19 ASP 19 -1.3478 -2.0001 999.9900 999.9900 .8104 -.8458 .6779 .3885 .5091 -.2942 20 ILE 20 -.2252 .8809 999.9900 999.9900 .6034 .4197 .6531 .0298 .2895 .3884 21 GLY 21 -1.5291 999.9900 999.9900 999.9900 .7883 -.3704 .3514 .4690 .4167 .0199 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5358 -.3870 -.0025 .2432 23 LYS 23 -.2799 -1.5020 999.9900 -.4035 .7460 -.3686 .6806 .1552 .3741 -.1439 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6650 .3132 .4598 .2240 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .4886 .1039 .2642 .1858 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5587 -.3449 .0316 .2708 27 ASP 27 .2994 -2.0928 999.9900 999.9900 .8104 -.3277 .6755 .3864 .5069 .0158 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6629 .3243 .4654 .2911 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6582 -.2353 .1370 -.0468 30 THR 30 -.6474 999.9900 -.2947 999.9900 .4476 -.1648 .6543 -.2494 .1271 -.0179 31 VAL 31 -1.6906 999.9900 .9224 999.9900 .7810 .0043 .6568 .1219 .3448 .1583 32 SER 32 .7360 999.9900 -.7153 999.9900 .6705 .2304 .6734 .5312 .5905 .3792 33 ALA 33 .7636 999.9900 999.9900 999.9900 .7458 .7547 .6673 .3084 .4580 .6213 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6678 .1559 .3692 -.1434 35 LYS 35 .8536 -.6840 999.9900 -.0397 .7460 .1672 .6813 .1606 .3775 .2397 36 GLU 36 .8171 -1.0407 999.9900 1.7325 .6899 .5497 .6738 .5254 .5872 .5663 37 THR 37 .2928 999.9900 -.8810 999.9900 .4476 -.0469 .6598 -.2459 .1315 .0546 38 VAL 38 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6600 .1170 .3433 .2091 39 ILE 39 .2963 -.7120 999.9900 999.9900 .6034 .0626 .6507 .0363 .2923 .1749 40 SER 40 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6800 .5274 .5910 .4077 41 GLU 41 -1.7894 -1.1891 999.9900 -1.0323 .6899 -.8302 .6786 .5200 .5861 -.3537 42 TRP 42 -.3273 -.1373 999.9900 999.9900 .9378 .1577 .4795 .1861 .3084 .2278 43 PRO 43 -.5949 999.9900 999.9900 999.9900 .4496 -.0726 .5508 -.3742 .0112 .0078 44 ARG 44 .2784 -1.7413 999.9900 .1593 .8581 -.0572 .6800 .5164 .5846 .1300 45 GLU 45 -.1289 -.2670 999.9900 .3501 .6899 .1610 .6788 .5286 .5912 .3086 46 LYS 46 -3.5196 -2.4344 999.9900 -.4035 .7460 -1.2030 .6818 .1611 .3780 -.7389 47 GLU 47 -1.0469 -.6022 999.9900 -1.0323 .6899 -.4979 .6719 .5249 .5861 -.1325 48 ASN 48 -.6067 -.8859 999.9900 999.9900 .7518 -.2469 .6726 .3685 .4952 .0600 49 GLY 49 -.0138 999.9900 999.9900 999.9900 .7883 .3873 .3481 .4728 .4174 .3989 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5408 -.3730 .0078 .0802 51 LYS 51 -3.5196 -.9203 999.9900 -.4035 .7460 -.9002 .6765 .1612 .3759 -.5233 52 THR 52 -.1094 999.9900 .6346 999.9900 .4476 .3243 .6547 -.2472 .1286 .2761 53 VAL 53 .3707 999.9900 -.2457 999.9900 .7810 .3020 .6569 .1275 .3481 .3381 54 LYS 54 .0195 -.0243 999.9900 -.4035 .7460 -.0132 .6741 .1690 .3795 .1110 55 GLU 55 -1.9096 .1208 999.9900 -1.0323 .6899 -.5328 .6805 .5264 .5906 -.1540 56 VAL 56 .0429 999.9900 -1.0788 999.9900 .7810 -.0849 .6630 .1125 .3419 .1041 57 LYS 57 -.2512 -1.6955 999.9900 -.0397 .7460 -.2560 .6765 .1576 .3738 -.0637 58 LEU 58 -.0536 -2.4128 999.9900 999.9900 .9565 -.5033 .6717 .1507 .3678 -.1375 59 ILE 59 -.6113 .2167 999.9900 999.9900 .6034 .0696 .6618 .0327 .2948 .1806 60 SER 60 -1.1635 999.9900 -.7153 999.9900 .6705 -.4028 .6813 .5375 .5974 .0021 61 ALA 61 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 .6652 .3244 .4664 -.0276 62 GLY 62 -.0001 999.9900 999.9900 999.9900 .7883 .3941 .5829 .4637 .5167 .4587 63 LYS 63 -.3099 -2.1617 999.9900 -.4035 .7460 -.5065 .6791 .1629 .3780 -.2415 64 VAL 64 -.3682 999.9900 -1.0788 999.9900 .7810 -.2220 .6564 .1053 .3349 .0192 65 LEU 65 -1.2966 -2.9612 999.9900 999.9900 .9565 -1.1004 .6816 .1485 .3707 -.4942 66 GLU 66 -.9070 -1.7714 999.9900 -1.0323 .6899 -.7552 .6775 .5245 .5882 -.3031 67 ASN 67 .6639 -2.7010 999.9900 999.9900 .7518 -.4284 .6755 .3773 .5016 -.0465 68 SER 68 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6832 .5347 .5966 .3620 69 LYS 69 -.8010 -1.5020 999.9900 -.4035 .7460 -.4728 .6794 .1612 .3771 -.2176 70 THR 70 -.4045 999.9900 -.8810 999.9900 .4476 -.2793 .6520 -.2423 .1303 -.0857 71 VAL 71 .5660 999.9900 .2799 999.9900 .7810 .5423 .6567 .1283 .3485 .4824 72 LYS 72 .8536 -.7357 999.9900 -.4035 .7460 .0114 .6736 .1639 .3763 .1278 73 ASP 73 .2251 -1.3712 999.9900 999.9900 .8104 -.1119 .6710 .3779 .5000 .1426 74 TYR 74 -1.0804 -4.1972 999.9900 999.9900 .5630 -1.5716 .6752 -.1768 .1782 -.8433 75 ARG 75 -.9010 -2.8571 999.9900 .1593 .8581 -.5163 .6792 .5052 .5777 -.1996 76 SER 76 .1787 999.9900 -.0289 999.9900 .6705 .2735 .4863 .5258 .5093 .3665 77 PRO 77 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5416 -.3553 .0184 .2060 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6516 .1163 .3394 -.7741 79 SER 79 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6755 .5333 .5925 -.5192 80 ASN 80 -.4092 -2.3357 999.9900 999.9900 .7518 -.6644 .6771 .3775 .5023 -.1877 81 LEU 81 -3.7702 -2.2115 999.9900 999.9900 .9565 -1.6750 .6782 .1533 .3720 -.8387 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6743 .3122 .4630 -.4331 83 GLY 83 -3.4864 999.9900 999.9900 999.9900 .7883 -1.3491 .5825 .4802 .5257 -.4089 84 ALA 84 -.2213 999.9900 999.9900 999.9900 .7458 .2622 .6642 .3080 .4564 .3742 85 VAL 85 -.7345 999.9900 .7395 999.9900 .7810 .2620 .6567 .1148 .3406 .3115 86 THR 86 .4548 999.9900 -.8810 999.9900 .4476 .0071 .6577 -.2635 .1203 .0831 87 THR 87 .2423 999.9900 .7650 999.9900 .4476 .4850 .6549 -.2763 .1117 .3667 88 MET 88 -.2651 -2.5481 999.9900 .9587 .5203 -.3336 .6818 .5211 .5880 -.0219 89 HIS 89 -.5497 -.3484 999.9900 999.9900 .6686 -.0765 .6782 .3184 .4684 .1534 90 VAL 90 -.6656 999.9900 .2799 999.9900 .7810 .1318 .6477 .1268 .3438 .2340 91 ILE 91 -.6113 -3.0500 999.9900 999.9900 .6034 -1.0193 .6554 .0180 .2836 -.4769 92 ILE 92 -.1621 -2.2551 999.9900 999.9900 .6034 -.6046 .6569 .0466 .3009 -.2221 93 GLN 93 -1.2769 -1.0287 999.9900 1.3059 .5113 -.1221 .6752 .5208 .5851 .1179 94 ALA 94 -.9610 999.9900 999.9900 999.9900 .7458 -.1076 .4842 .3178 .3871 .1467 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5436 -.3426 .0266 .0885 96 VAL 96 -1.7973 999.9900 -1.0788 999.9900 .7810 -.6983 .6585 .1240 .3467 -.2625 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6612 -.2576 .1252 -.8473 98 GLU 98 -.6163 -1.6501 999.9900 -1.0323 .6899 -.6522 .6799 .5283 .5915 -.2334 99 LYS 99 -1.8854 -1.5918 999.9900 -.4035 .7460 -.7076 .6730 .1573 .3722 -.3868 100 GLU 100 -2.8104 -1.7714 999.9900 .3501 .6899 -.8854 .6843 .5207 .5889 -.3895 101 LYS 101 999.9900 -1.2293 999.9900 -.4035 999.9900 -.6788 .6799 -.0468 .2646 -.2807 Means: -.6939 -1.5770 -.4506 -.1668 .6979 -.3235 .6478 .2055 .3904 -.0357 2.00 analyzed_1