1 GLU 1 999.9900 -1.1891 999.9900 -1.0323 .6899 -.5105 .6777 .5161 .5896 -.0675 2 ALA 2 -1.6256 999.9900 999.9900 999.9900 .7458 -.4399 .6650 .3248 .4665 .0275 3 GLU 3 -2.0601 -.4584 999.9900 -1.0323 .6899 -.7152 .6729 .5124 .5793 -.2793 4 VAL 4 -2.2509 999.9900 -.5532 999.9900 .7810 -.6743 .6599 .1160 .3426 -.2494 5 HIS 5 -.1228 1.1207 999.9900 999.9900 .6686 .5555 .6776 .3204 .4692 .5329 6 ASN 6 1.1272 -2.0766 999.9900 999.9900 .7518 -.0658 .6782 .3842 .5067 .1730 7 GLN 7 -1.5899 -1.9601 999.9900 2.7911 .5113 -.0619 .6760 .5191 .5845 .1579 8 LEU 8 -.0766 -2.5464 999.9900 999.9900 .9565 -.5555 .6724 .1538 .3699 -.1680 9 GLU 9 -.4497 -2.3808 999.9900 -1.0323 .6899 -.7932 .6781 .5237 .5880 -.3285 10 ILE 10 .3059 .4983 999.9900 999.9900 .6034 .4692 .6551 .0281 .2894 .4182 11 LYS 11 -.1919 -2.9005 999.9900 -.4035 .7460 -.6307 .6751 .1441 .3654 -.3335 12 PHE 12 -.0721 .3647 999.9900 999.9900 .7573 .3500 .6767 .0958 .3378 .3645 13 ARG 13 -.4439 -2.8571 999.9900 .1593 .8581 -.4249 .6796 .5121 .5819 -.1332 14 LEU 14 -1.2495 -2.2115 999.9900 999.9900 .9565 -.8348 .6863 .1398 .3675 -.3357 15 THR 15 .7717 999.9900 .6346 999.9900 .4476 .6180 .6554 -.2543 .1247 .4510 16 ASP 16 .0771 -2.1980 999.9900 999.9900 .8104 -.4369 .6796 .3830 .5066 -.0496 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .7883 .9098 .5794 .4765 .5222 .7189 18 SER 18 .1093 999.9900 -.7153 999.9900 .6705 .0215 .6737 .5377 .5944 .2552 19 ASP 19 -.9509 -2.0001 999.9900 999.9900 .8104 -.7135 .6774 .3828 .5055 -.2161 20 ILE 20 -.2252 -3.0500 999.9900 999.9900 .6034 -.8906 .6572 .0485 .3022 -.3932 21 GLY 21 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .3533 .4725 .4195 -.1359 22 PRO 22 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5521 -.3511 .0252 .2563 23 LYS 23 -.2799 -2.4344 999.9900 .6878 .7460 -.1185 .6821 .1707 .3838 .0372 24 ALA 24 -.8279 999.9900 999.9900 999.9900 .7458 -.0410 .6638 .3079 .4562 .2224 25 PHE 25 -.4973 .0765 999.9900 999.9900 .7573 .1122 .5125 .0909 .2666 .1880 26 PRO 26 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5610 -.3629 .0221 .2669 27 ASP 27 .2994 -.1440 999.9900 999.9900 .8104 .3219 .6809 .3857 .5087 .4065 28 ALA 28 -.5686 999.9900 999.9900 999.9900 .7458 .0886 .6642 .3247 .4662 .2915 29 THR 29 -.2237 999.9900 -.8810 999.9900 .4476 -.2190 .6594 -.2503 .1287 -.0496 30 THR 30 -.2075 999.9900 -.8810 999.9900 .4476 -.2137 .6597 -.2717 .1164 -.0506 31 VAL 31 -1.6906 999.9900 .1416 999.9900 .7810 -.2560 .6627 .1161 .3439 .0022 32 SER 32 .8349 999.9900 .8786 999.9900 .6705 .7947 .6751 .5287 .5897 .7176 33 ALA 33 .3637 999.9900 999.9900 999.9900 .7458 .5548 .6658 .3189 .4634 .5236 34 LEU 34 .8786 -3.3760 999.9900 999.9900 .9565 -.5136 .6766 .1636 .3773 -.1402 35 LYS 35 .6751 -1.0359 999.9900 .8416 .7460 .4137 .6836 .1437 .3686 .4137 36 GLU 36 .8604 -1.9198 999.9900 -1.0323 .6899 -.3505 .6682 .5209 .5823 -.0355 37 THR 37 .8449 999.9900 -.8810 999.9900 .4476 .1372 .6633 -.2549 .1277 .1640 38 VAL 38 .7260 999.9900 1.1539 999.9900 .7810 .8870 .6572 .1223 .3452 .6881 39 ILE 39 .6852 .4983 999.9900 999.9900 .6034 .5956 .6525 .0463 .2989 .4971 40 SER 40 1.1864 999.9900 -.7153 999.9900 .6705 .3805 .6775 .5359 .5949 .4710 41 GLU 41 .8171 -1.0407 999.9900 1.7325 .6899 .5497 .6751 .5197 .5844 .5656 42 TRP 42 -.6038 -3.3859 999.9900 999.9900 .9378 -1.0173 .4889 .1815 .3096 -.4763 43 PRO 43 -1.4133 999.9900 999.9900 999.9900 .4496 -.4818 .5363 -.3877 -.0027 -.2038 44 ARG 44 .2784 .8164 999.9900 .1593 .8581 .4543 .6755 .5177 .5834 .4950 45 GLU 45 -.1289 -.8834 999.9900 -1.0323 .6899 -.3387 .6724 .5160 .5812 -.0277 46 LYS 46 -3.5196 -2.1617 999.9900 -.4035 .7460 -1.1485 .6720 .1574 .3718 -.7018 47 GLU 47 -2.3953 -2.8418 999.9900 -1.0323 .6899 -1.3949 .6773 .5237 .5877 -.7298 48 ASN 48 .0003 -.7217 999.9900 999.9900 .7518 .0101 .6784 .3919 .5113 .2202 49 GLY 49 -1.0150 999.9900 999.9900 999.9900 .7883 -.1133 .3506 .4650 .4142 .1472 50 PRO 50 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5543 -.3690 .0157 .0846 51 LYS 51 -3.5196 -.9566 999.9900 -.0397 .7460 -.7619 .6776 .1491 .3693 -.4261 52 THR 52 -.1839 999.9900 .2916 999.9900 .4476 .1851 .6601 -.2593 .1238 .1912 53 VAL 53 .5660 999.9900 -1.0788 999.9900 .7810 .0894 .6695 .1103 .3433 .2096 54 LYS 54 -.4018 -1.8181 999.9900 -.4035 .7460 -.4562 .6750 .1540 .3710 -.2074 55 GLU 55 -1.6450 .5701 999.9900 -1.0323 .6899 -.3543 .6844 .5268 .5925 -.0343 56 VAL 56 .0482 999.9900 -1.0788 999.9900 .7810 -.0832 .6578 .1116 .3392 .1040 57 LYS 57 -.2512 -2.9005 999.9900 .2495 .7460 -.3813 .6792 .1614 .3772 -.1523 58 LEU 58 -.0792 -3.3760 999.9900 999.9900 .9565 -.8329 .6721 .1560 .3710 -.3341 59 ILE 59 .2866 -3.0500 999.9900 999.9900 .6034 -.7200 .6601 .0476 .3028 -.2905 60 SER 60 -1.2119 999.9900 -.7153 999.9900 .6705 -.4189 .6756 .5316 .5916 -.0099 61 ALA 61 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .6722 .3205 .4670 -.1536 62 GLY 62 -.1741 999.9900 999.9900 999.9900 .7883 .3071 .5897 .4796 .5286 .4209 63 LYS 63 -.2455 -2.9005 999.9900 -.0397 .7460 -.4959 .6793 .1488 .3698 -.2359 64 VAL 64 -.3682 999.9900 -1.0788 999.9900 .7810 -.2220 .6631 .1111 .3411 .0216 65 LEU 65 -.2022 -3.3760 999.9900 999.9900 .9565 -.8739 .6782 .1555 .3733 -.3576 66 GLU 66 -1.4621 -2.8418 999.9900 -1.0323 .6899 -1.1616 .6793 .5260 .5899 -.5735 67 ASN 67 .1528 -1.8756 999.9900 999.9900 .7518 -.3236 .6766 .3853 .5067 .0182 68 SER 68 -.3100 999.9900 .6576 999.9900 .6705 .3394 .6725 .5354 .5925 .4452 69 LYS 69 -.4529 -.7632 999.9900 .1140 .7460 -.0484 .6729 .1648 .3765 .0851 70 THR 70 -.5003 999.9900 -.8810 999.9900 .4476 -.3112 .6567 -.2649 .1191 -.1084 71 VAL 71 .9834 999.9900 -.2457 999.9900 .7810 .5062 .6673 .1150 .3451 .4602 72 LYS 72 .9480 -1.9682 999.9900 -.0397 .7460 -.0707 .6762 .1489 .3686 .0674 73 ASP 73 1.3227 -2.6388 999.9900 999.9900 .8104 -.1685 .6747 .3762 .5006 .1091 74 TYR 74 -.4658 -2.6175 999.9900 999.9900 .5630 -.8401 .6803 -.1791 .1790 -.4038 75 ARG 75 -.5052 -.8928 999.9900 .1593 .8581 -.0442 .6782 .5254 .5891 .1403 76 SER 76 -.3484 999.9900 -.7153 999.9900 .6705 -.1311 .4827 .5343 .5128 .1247 77 PRO 77 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5449 -.3796 .0056 -.1378 78 VAL 78 -4.3409 999.9900 -1.0788 999.9900 .7810 -1.5462 .6618 .1350 .3545 -.7684 79 SER 79 -2.1138 999.9900 -.7153 999.9900 .6705 -.7195 .6814 .5349 .5959 -.1885 80 ASN 80 -1.1452 -3.3254 999.9900 999.9900 .7518 -1.2396 .6712 .3745 .4981 -.5346 81 LEU 81 -3.7702 -2.4128 999.9900 999.9900 .9565 -1.7422 .6819 .1609 .3780 -.8767 82 ALA 82 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6704 .3167 .4640 -.4330 83 GLY 83 -1.3026 999.9900 999.9900 999.9900 .7883 -.2571 .5843 .4747 .5234 .1362 84 ALA 84 -1.1160 999.9900 999.9900 999.9900 .7458 -.1851 .6664 .3232 .4662 .1548 85 VAL 85 -1.1433 999.9900 .9224 999.9900 .7810 .1867 .6511 .1260 .3448 .2674 86 THR 86 .4548 999.9900 -.8810 999.9900 .4476 .0071 .6539 -.2520 .1255 .0847 87 THR 87 .2184 999.9900 .6346 999.9900 .4476 .4335 .6571 -.2529 .1262 .3409 88 MET 88 -.2651 -.2630 999.9900 .9587 .5203 .2377 .6808 .5275 .5914 .3599 89 HIS 89 -.4125 -1.1713 999.9900 999.9900 .6686 -.3051 .6792 .3255 .4729 .0179 90 VAL 90 -.5494 999.9900 .3968 999.9900 .7810 .2095 .6557 .1191 .3427 .2806 91 ILE 91 .3543 -3.0500 999.9900 999.9900 .6034 -.6974 .6526 .0429 .2970 -.2793 92 ILE 92 -.1621 -1.6252 999.9900 999.9900 .6034 -.3946 .6608 .0413 .2995 -.0963 93 GLN 93 -1.2769 -2.6982 999.9900 1.3059 .5113 -.5395 .6837 .5276 .5926 -.1578 94 ALA 94 -.7199 999.9900 999.9900 999.9900 .7458 .0129 .4725 .3277 .3880 .2065 95 PRO 95 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5504 -.3652 .0163 .0846 96 VAL 96 -3.0988 999.9900 -.2457 999.9900 .7810 -.8545 .6610 .1157 .3429 -.3573 97 THR 97 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6609 -.2718 .1168 -.0552 98 GLU 98 -.7537 -1.7714 999.9900 1.1588 .6899 -.1691 .6775 .5148 .5826 .0860 99 LYS 99 -3.5196 -.1697 999.9900 -.4035 .7460 -.7501 .6741 .1479 .3672 -.4183 100 GLU 100 -3.2255 -2.3808 999.9900 -1.0323 .6899 -1.4872 .6728 .5177 .5823 -.7931 101 LYS 101 999.9900 -1.5918 999.9900 -.0770 999.9900 -.5819 .6815 -.0318 .2739 -.2192 Means: -.5847 -1.7139 -.3152 -.0051 .6979 -.2803 .6490 .2048 .3905 -.0089 2.00 analyzed_17