1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6750 .5079 .5838 .0227 2 ALA 2 -1.2072 999.9900 999.9900 999.9900 .7458 -.2307 .6736 .3275 .4717 .1349 3 ASP 3 -.0745 -.2794 999.9900 999.9900 .8104 .1522 .6776 .3820 .5051 .3032 4 THR 4 -1.1887 999.9900 -.8810 999.9900 .4476 -.5407 .6605 -.2673 .1193 -.2458 5 GLY 5 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5745 .4647 .5135 .2783 6 GLU 6 -3.2255 -.2138 999.9900 .3501 .6899 -.5998 .6773 .5196 .5853 -.2004 7 VAL 7 .0815 999.9900 -.2457 999.9900 .7810 .2056 .6569 .1282 .3485 .2804 8 GLN 8 -.5881 -1.9601 999.9900 1.3059 .5113 -.1827 .6777 .5263 .5894 .0788 9 PHE 9 .2013 -.1636 999.9900 999.9900 .7573 .2650 .6782 .0969 .3391 .3140 10 MET 10 -.2922 -.4050 999.9900 .9587 .5203 .1954 .6778 .5128 .5816 .3287 11 LYS 11 -.5771 -2.4344 999.9900 .2495 .7460 -.3533 .4941 .1521 .2946 -.1600 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5426 -.3860 .0009 .1545 13 PHE 13 .0900 -.3727 999.9900 999.9900 .7573 .1582 .6800 .0909 .3364 .2491 14 ILE 14 -.1408 .2821 999.9900 999.9900 .6034 .2482 .6567 .0391 .2964 .2881 15 SER 15 1.0911 999.9900 -.7153 999.9900 .6705 .3488 .6813 .5294 .5927 .4514 16 GLU 16 .1449 1.2631 999.9900 -1.0323 .6899 .2664 .6805 .5333 .5946 .3799 17 LYS 17 -2.0221 -2.4344 999.9900 -.4035 .7460 -.9035 .6764 .1490 .3688 -.5274 18 SER 18 -.5255 999.9900 -.7153 999.9900 .6705 -.1901 .6764 .5248 .5880 .1262 19 SER 19 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6762 .5338 .5931 .4082 20 LYS 20 -3.5196 -.5289 999.9900 -.4035 .7460 -.8219 .6724 .1590 .3729 -.4683 21 SER 21 -.4961 999.9900 .6576 999.9900 .6705 .2774 .6727 .5213 .5844 .4052 22 LEU 22 -.5178 -1.9980 999.9900 999.9900 .9565 -.5198 .6790 .1500 .3705 -.1460 23 GLU 23 -.7347 -.9977 999.9900 -1.0323 .6899 -.5187 .6769 .5228 .5870 -.1459 24 ILE 24 -.1408 .6227 999.9900 999.9900 .6034 .3618 .4776 .0382 .2213 .3202 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5472 -.3527 .0223 .2547 26 LEU 26 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6761 .1701 .3809 -.1318 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5805 .4732 .5209 .6465 28 PHE 28 -.5116 -4.3038 999.9900 999.9900 .7573 -1.3527 .6779 .0980 .3396 -.6564 29 ASN 29 .6639 -2.7010 999.9900 999.9900 .7518 -.4284 .6770 .3797 .5035 -.0457 30 GLU 30 -.3012 -1.9198 999.9900 -1.0323 .6899 -.6408 .6807 .5263 .5906 -.2261 31 TYR 31 -.4658 -4.1972 999.9900 999.9900 .5630 -1.3667 .6746 -.1650 .1848 -.7181 32 PHE 32 -1.5618 -2.0028 999.9900 999.9900 .7573 -.9357 .4754 .1080 .2610 -.4448 33 PRO 33 -.2966 999.9900 999.9900 999.9900 .4496 .0765 .5506 -.3579 .0206 .0864 34 ALA 34 -.4347 999.9900 999.9900 999.9900 .7458 .1556 .4907 .3128 .3869 .2787 35 PRO 35 -1.1662 999.9900 999.9900 999.9900 .4496 -.3583 .5407 -.3735 .0074 -.1374 36 PHE 36 -.0803 -.6014 999.9900 999.9900 .7573 .0252 .4876 .0923 .2570 .1311 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5467 -.3654 .0146 .2627 38 ILE 38 -2.5128 -.5821 999.9900 999.9900 .6034 -.8305 .6539 .0461 .2993 -.3583 39 THR 39 -.5585 999.9900 -.8810 999.9900 .4476 -.3307 .6499 -.2472 .1266 -.1179 40 VAL 40 -.0582 999.9900 .9224 999.9900 .7810 .5484 .6492 .1232 .3424 .4835 41 ASP 41 -.9091 -1.7735 999.9900 999.9900 .8104 -.6241 .6784 .3823 .5057 -.1623 42 LEU 42 -.1897 -2.9612 999.9900 999.9900 .9565 -.7315 .6793 .1594 .3760 -.2711 43 LEU 43 -1.2966 -2.9612 999.9900 999.9900 .9565 -1.1004 .6799 .1509 .3713 -.4941 44 ASP 44 -.5058 -2.6388 999.9900 999.9900 .8104 -.7781 .6757 .3788 .5025 -.2560 45 TYR 45 -3.6999 -.7659 999.9900 999.9900 .5630 -1.3009 .6792 -.2000 .1664 -.6847 46 SER 46 -1.4442 999.9900 -.7153 999.9900 .6705 -.4964 .6759 .5291 .5903 -.0568 47 GLY 47 -.7142 999.9900 999.9900 999.9900 .7883 .0370 .5907 .4843 .5316 .2873 48 ARG 48 -.4155 .1176 999.9900 .1593 .8581 .1758 .6714 .5168 .5812 .2953 49 SER 49 -.2734 999.9900 -.7153 999.9900 .6705 -.1061 .6710 .5317 .5898 .1769 50 TRP 50 -.6038 -3.3859 999.9900 999.9900 .9378 -1.0173 .6759 .1947 .3952 -.4363 51 THR 51 .0466 999.9900 .2916 999.9900 .4476 .2619 .6568 -.2581 .1231 .2369 52 VAL 52 -.9687 999.9900 -.2457 999.9900 .7810 -.1444 .6498 .1328 .3482 .0699 53 ARG 53 -.0990 -2.3766 999.9900 .1593 .8581 -.2598 .6739 .5150 .5812 -.0157 54 MET 54 -.3206 .8267 999.9900 .9587 .5203 .4963 .6750 .5160 .5822 .5293 55 LYS 55 -.2345 -.7918 999.9900 -.4035 .7460 -.2175 .6783 .1619 .3771 -.0353 56 LYS 56 -.6747 -2.9005 999.9900 -.4035 .7460 -.7272 .6796 .1568 .3746 -.4000 57 ARG 57 -1.5415 -1.6149 999.9900 .1593 .8581 -.3959 .6823 .5235 .5897 -.1105 58 GLY 58 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5840 .4815 .5271 -.0226 59 GLU 59 -1.0162 -2.1111 999.9900 -1.0323 .6899 -.8674 .6705 .5232 .5846 -.3793 60 LYS 60 -.4529 -1.5918 999.9900 -.0397 .7460 -.2756 .6786 .1628 .3777 -.0767 61 VAL 61 .0815 999.9900 .4980 999.9900 .7810 .4535 .6482 .1229 .3418 .4263 62 PHE 62 -.1316 -4.3038 999.9900 999.9900 .7573 -1.2260 .6802 .1041 .3441 -.5788 63 LEU 63 -.1836 -2.7185 999.9900 999.9900 .9565 -.6485 .6814 .1626 .3788 -.2203 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6608 -.2635 .1216 -.5763 65 VAL 65 -1.2071 999.9900 -.2457 999.9900 .7810 -.2239 .6605 .1226 .3467 .0223 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5884 .4735 .5246 -.0235 67 TRP 67 .1793 -1.6686 999.9900 999.9900 .9378 -.1838 .6814 .1952 .3978 .0650 68 GLU 68 .6833 -1.1358 999.9900 1.7325 .6899 .4925 .6754 .5208 .5852 .5277 69 ASN 69 .1294 -1.2512 999.9900 999.9900 .7518 -.1233 .6765 .3821 .5047 .1377 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6779 .1031 .3426 -.3923 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6599 .1165 .3429 .2924 72 LYS 72 .3654 -.9951 999.9900 -.4035 .7460 -.1381 .6749 .1648 .3773 .0213 73 ASP 73 .9921 -1.0518 999.9900 999.9900 .8104 .2502 .6819 .3807 .5062 .3627 74 ASN 74 .3429 -1.4522 999.9900 999.9900 .7518 -.1191 .6760 .3813 .5041 .1400 75 ASN 75 -2.1824 -.7217 999.9900 999.9900 .7518 -.7174 .6804 .3854 .5083 -.2173 76 LEU 76 -2.2364 -2.5464 999.9900 999.9900 .9565 -1.2754 .6786 .1605 .3764 -.5974 77 GLU 77 -1.2742 1.0486 999.9900 -1.0323 .6899 -.1420 .6733 .5223 .5852 .1046 78 ASP 78 -.9954 -1.1646 999.9900 999.9900 .8104 -.4499 .6792 .3723 .5002 -.0596 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5947 .4722 .5266 -.0756 80 LYS 80 -.7292 .2358 999.9900 -.4035 .7460 -.1109 .6799 .1575 .3752 .0404 81 TYR 81 -.1271 -3.5861 999.9900 999.9900 .5630 -1.0501 .6766 -.1772 .1785 -.5302 82 LEU 82 -.4930 -3.3760 999.9900 999.9900 .9565 -.9708 .6776 .1516 .3708 -.4166 83 GLN 83 -1.7386 -2.6982 999.9900 1.3059 .5113 -.6549 .6731 .5151 .5809 -.2386 84 PHE 84 -.2255 -2.8600 999.9900 999.9900 .7573 -.7761 .6765 .1122 .3473 -.3079 85 ILE 85 .3543 -.1471 999.9900 999.9900 .6034 .2702 .6597 .0436 .3003 .3028 86 TYR 86 .4225 -4.1972 999.9900 999.9900 .5630 -1.0706 .6729 -.1802 .1753 -.5438 87 ASP 87 -1.7533 -.8657 999.9900 999.9900 .8104 -.6028 .6708 .3668 .4935 -.1542 88 ARG 88 -1.9585 -2.3766 999.9900 .1593 .8581 -.6317 .6711 .5138 .5793 -.2819 89 ASP 89 -2.3854 -.8657 999.9900 999.9900 .8104 -.8135 .6800 .3822 .5063 -.2757 90 ARG 90 -1.8488 -1.5080 999.9900 .1593 .8581 -.4360 .6736 .5085 .5773 -.1426 91 THR 91 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6541 -.2656 .1176 .0927 92 PHE 92 .1032 -1.4910 999.9900 999.9900 .7573 -.2102 .6702 .1058 .3409 .0291 93 TYR 93 .3730 .8463 999.9900 999.9900 .5630 .5941 .6778 -.1662 .1854 .4587 94 VAL 94 -.5494 999.9900 .3968 999.9900 .7810 .2095 .6613 .1213 .3463 .2822 95 ILE 95 -.9405 -2.0226 999.9900 999.9900 .6034 -.7866 .6550 .0377 .2949 -.3334 96 ILE 96 -.0022 -3.0500 999.9900 999.9900 .6034 -.8163 .6540 .0412 .2965 -.3507 97 TYR 97 .0868 -.6481 999.9900 999.9900 .5630 .0005 .6767 -.1792 .1774 .0998 98 GLY 98 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5894 .4816 .5295 -.2783 99 HIS 99 -3.0884 -.8163 999.9900 999.9900 .6686 -1.0787 .6779 .3196 .4689 -.4477 100 ASN 100 -.4415 -.0252 999.9900 999.9900 .7518 .0950 .6825 .3866 .5099 .2708 101 MET 101 -1.0666 -2.5481 999.9900 .9587 .5203 -.5339 .6732 .5236 .5859 -.1565 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6746 .2547 .4346 .3530 Means: -.6640 -1.6033 -.2452 .0138 .7095 -.3338 .6520 .2119 .3961 -.0392 2.00 analyzed_4