1 MET 1 999.9900 -1.1064 999.9900 .9587 .5203 .1242 .6767 .5138 .5878 .3126 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6604 .3347 .4704 -.4309 3 ASP 3 .1056 -1.4992 999.9900 999.9900 .8104 -.1944 .6766 .3799 .5035 .0947 4 THR 4 -3.2663 999.9900 .4804 999.9900 .4476 -.7795 .6529 -.2546 .1235 -.3880 5 GLY 5 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5888 .4789 .5277 -.2039 6 GLU 6 -2.2616 -2.8418 999.9900 -1.0323 .6899 -1.3615 .6784 .5309 .5923 -.7061 7 VAL 7 .0815 999.9900 -1.0788 999.9900 .7810 -.0721 .6652 .1279 .3518 .1154 8 GLN 8 -.6834 -1.9601 999.9900 1.3059 .5113 -.2066 .6740 .5134 .5803 .0602 9 PHE 9 .1414 -.1636 999.9900 999.9900 .7573 .2450 .6746 .1014 .3402 .3022 10 MET 10 -.2922 .9878 999.9900 .9587 .5203 .5436 .6747 .5244 .5870 .5623 11 LYS 11 -.8267 -2.9005 999.9900 -.4035 .7460 -.7577 .4970 .1608 .3009 -.4472 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5335 -.3660 .0088 .1573 13 PHE 13 .0900 -2.8600 999.9900 999.9900 .7573 -.6709 .6789 .1030 .3430 -.2462 14 ILE 14 .0718 -1.7901 999.9900 999.9900 .6034 -.3717 .6522 .0392 .2946 -.0847 15 SER 15 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6710 .5381 .5935 .2646 16 GLU 16 .8733 -1.3804 999.9900 -1.0323 .6899 -.2124 .6766 .5197 .5851 .0578 17 LYS 17 -2.0221 -2.4344 999.9900 -.4035 .7460 -.9035 .6762 .1575 .3736 -.5263 18 SER 18 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6799 .5434 .6003 .2634 19 SER 19 .1589 999.9900 -.7153 999.9900 .6705 .0380 .6778 .5362 .5952 .2656 20 LYS 20 -3.5196 -1.6955 999.9900 -.4035 .7460 -1.0552 .6807 .1584 .3760 -.6339 21 SER 21 -.5057 999.9900 -.7153 999.9900 .6705 -.1835 .6772 .5304 .5916 .1314 22 LEU 22 -.0977 -2.9612 999.9900 999.9900 .9565 -.7008 .6784 .1550 .3731 -.2538 23 GLU 23 -.6642 -1.3804 999.9900 1.7325 .6899 .0945 .6713 .5159 .5807 .2608 24 ILE 24 .0813 -1.7297 999.9900 999.9900 .6034 -.3483 .4824 .0250 .2156 -.1075 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5572 -.3793 .0109 .2505 26 LEU 26 .2872 -2.5464 999.9900 999.9900 .9565 -.4342 .6720 .1562 .3711 -.0949 27 GLY 27 .2494 999.9900 999.9900 999.9900 .7883 .5188 .5732 .4588 .5096 .5174 28 PHE 28 -.7647 -4.3038 999.9900 999.9900 .7573 -1.4371 .6796 .1013 .3423 -.7061 29 ASN 29 1.1678 -.2320 999.9900 999.9900 .7518 .5626 .6777 .3835 .5061 .5498 30 GLU 30 -.3012 -2.1111 999.9900 -1.0323 .6899 -.6887 .6716 .5268 .5871 -.2594 31 TYR 31 -.7788 -4.1972 999.9900 999.9900 .5630 -1.4710 .6803 -.1891 .1731 -.7844 32 PHE 32 -3.6149 -1.5308 999.9900 999.9900 .7573 -1.4628 .4898 .1009 .2629 -.7595 33 PRO 33 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5436 -.3597 .0166 -1.1233 34 ALA 34 -2.3529 999.9900 999.9900 999.9900 .7458 -.8035 .4827 .3210 .3884 -.2008 35 PRO 35 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5554 -.3665 .0176 -.9667 36 PHE 36 -.8947 -1.6624 999.9900 999.9900 .7573 -.5999 .4829 .1046 .2622 -.2424 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5482 -.3452 .0271 .2101 38 ILE 38 -2.9731 -.7522 999.9900 999.9900 .6034 -1.0407 .6614 .0537 .3069 -.4814 39 THR 39 .1631 999.9900 -.8810 999.9900 .4476 -.0901 .6528 -.2589 .1210 .0247 40 VAL 40 -.3909 999.9900 .1416 999.9900 .7810 .1772 .6555 .1357 .3523 .2646 41 ASP 41 -1.1787 .1998 999.9900 999.9900 .8104 -.0562 .6759 .3860 .5068 .1787 42 LEU 42 -.8032 -2.3037 999.9900 999.9900 .9565 -.7168 .6789 .1672 .3804 -.2609 43 LEU 43 -.8032 -2.2115 999.9900 999.9900 .9565 -.6860 .6805 .1475 .3696 -.2460 44 ASP 44 -.5058 -.1523 999.9900 999.9900 .8104 .0507 .6709 .3769 .4994 .2400 45 TYR 45 -3.6999 -.4266 999.9900 999.9900 .5630 -1.1878 .6753 -.1795 .1767 -.6135 46 SER 46 -1.6828 999.9900 -.7153 999.9900 .6705 -.5759 .6828 .5366 .5975 -.1016 47 GLY 47 -1.2283 999.9900 999.9900 999.9900 .7883 -.2200 .5791 .4704 .5187 .1523 48 ARG 48 -.4155 .6996 999.9900 .1593 .8581 .2922 .6734 .5200 .5839 .3792 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6786 .5338 .5941 .2410 50 TRP 50 -.0034 -3.3859 999.9900 999.9900 .9378 -.8172 .6729 .1874 .3897 -.3182 51 THR 51 -.2319 999.9900 .2916 999.9900 .4476 .1691 .6578 -.2531 .1264 .1824 52 VAL 52 -.9687 999.9900 -.0276 999.9900 .7810 -.0717 .6590 .1104 .3390 .1108 53 ARG 53 -.6927 -1.6149 999.9900 .1593 .8581 -.2262 .6688 .5140 .5785 .0074 54 MET 54 -.4857 -1.5870 999.9900 2.2863 .5203 .1835 .6741 .5139 .5806 .3203 55 LYS 55 -.2345 -1.2293 999.9900 -.4035 .7460 -.3050 .6803 .1631 .3786 -.0973 56 LYS 56 -.6747 -1.5918 999.9900 -.4035 .7460 -.4655 .6690 .1429 .3621 -.2165 57 ARG 57 -1.4318 -2.0954 999.9900 .1593 .8581 -.4701 .6787 .5152 .5833 -.1652 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5820 .4684 .5189 .0150 59 GLU 59 -1.0162 -1.6501 999.9900 1.7325 .6899 -.0610 .6773 .5229 .5872 .1594 60 LYS 60 -.6340 -1.1257 999.9900 -.4035 .7460 -.3641 .6775 .1679 .3802 -.1393 61 VAL 61 .0429 999.9900 .1416 999.9900 .7810 .3219 .6573 .1173 .3423 .3480 62 PHE 62 -.3916 -.6014 999.9900 999.9900 .7573 -.0786 .6755 .1192 .3510 .1118 63 LEU 63 -.1596 -3.3760 999.9900 999.9900 .9565 -.8597 .6667 .1600 .3712 -.3505 64 THR 64 -4.2065 999.9900 -.8810 999.9900 .4476 -1.5467 .6536 -.2600 .1207 -.8493 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6623 .1211 .3466 -.1443 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5784 .4665 .5162 -.0277 67 TRP 67 -.0620 -3.3859 999.9900 999.9900 .9378 -.8367 .6818 .1900 .3949 -.3277 68 GLU 68 .5470 -.7564 999.9900 -1.0323 .6899 -.1380 .6805 .5319 .5938 .1101 69 ASN 69 .9310 -1.5725 999.9900 999.9900 .7518 .0368 .6760 .3846 .5060 .2342 70 PHE 70 .6259 -1.6164 999.9900 999.9900 .7573 -.0777 .6759 .0990 .3393 .1083 71 VAL 71 -.1888 999.9900 -1.0788 999.9900 .7810 -.1622 .6569 .1151 .3408 .0571 72 LYS 72 .7090 -2.9005 999.9900 .1731 .7460 -.2199 .6795 .1511 .3713 -.0384 73 ASP 73 1.1359 -3.1847 999.9900 999.9900 .8104 -.4128 .6742 .3702 .4969 -.0388 74 ASN 74 -.0480 -2.7010 999.9900 999.9900 .7518 -.6657 .6792 .3879 .5093 -.1860 75 ASN 75 -2.1824 -1.0148 999.9900 999.9900 .7518 -.8151 .6787 .3939 .5126 -.2746 76 LEU 76 -2.2364 -2.4128 999.9900 999.9900 .9565 -1.2309 .6741 .1629 .3759 -.5712 77 GLU 77 -1.2742 -2.3808 999.9900 .3501 .6899 -.6538 .6782 .5236 .5880 -.2355 78 ASP 78 -1.5212 -.1440 999.9900 999.9900 .8104 -.2849 .6785 .3792 .5039 .0406 79 GLY 79 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .5926 .4766 .5282 -.0464 80 LYS 80 -.7069 -1.5918 999.9900 -.4035 .7460 -.4719 .6718 .1647 .3760 -.2176 81 TYR 81 -.1271 -1.1415 999.9900 999.9900 .5630 -.2352 .6745 -.1743 .1793 -.0411 82 LEU 82 -.4930 -1.8889 999.9900 999.9900 .9565 -.4751 .6792 .1650 .3793 -.1162 83 GLN 83 -.5179 -2.6982 999.9900 1.3059 .5113 -.3497 .6715 .5192 .5827 -.0347 84 PHE 84 -.2986 .2658 999.9900 999.9900 .7573 .2415 .6813 .1040 .3446 .3020 85 ILE 85 .1597 -2.4201 999.9900 999.9900 .6034 -.5523 .6587 .0547 .3064 -.1887 86 TYR 86 .6005 -.9448 999.9900 999.9900 .5630 .0729 .6760 -.1665 .1846 .1456 87 ASP 87 -3.3417 -.7683 999.9900 999.9900 .8104 -1.0999 .6784 .3882 .5091 -.4466 88 ARG 88 -2.9267 -1.8960 999.9900 .1593 .8581 -.7292 .6763 .5140 .5816 -.3508 89 ASP 89 -3.3417 -1.7105 999.9900 999.9900 .8104 -1.4139 .6788 .3894 .5100 -.6347 90 ARG 90 -1.7561 -.9348 999.9900 .1593 .8581 -.3028 .6744 .5171 .5826 -.0461 91 THR 91 .0102 999.9900 -.8810 999.9900 .4476 -.1411 .6547 -.2510 .1264 -.0039 92 PHE 92 -.0244 -1.2830 999.9900 999.9900 .7573 -.1834 .6808 .1082 .3468 .0478 93 TYR 93 .6244 -4.1972 999.9900 999.9900 .5630 -1.0033 .6740 -.1752 .1786 -.5022 94 VAL 94 .0482 999.9900 -1.0788 999.9900 .7810 -.0832 .6614 .1186 .3448 .1061 95 ILE 95 -.7007 -3.0500 999.9900 999.9900 .6034 -1.0491 .6595 .0413 .2989 -.4893 96 ILE 96 .4877 -3.0500 999.9900 999.9900 .6034 -.6530 .6596 .0427 .2997 -.2513 97 TYR 97 .2346 -.4266 999.9900 999.9900 .5630 .1237 .6814 -.1716 .1838 .1762 98 GLY 98 -1.2283 999.9900 999.9900 999.9900 .7883 -.2200 .5810 .4699 .5192 .1527 99 HIS 99 -.4783 .8055 999.9900 999.9900 .6686 .3320 .6700 .3172 .4642 .3966 100 ASN 100 -1.6439 -.8859 999.9900 999.9900 .7518 -.5927 .6741 .3727 .4983 -.1462 101 MET 101 -2.2339 -1.7864 999.9900 .9587 .5203 -.6353 .6774 .5176 .5842 -.2244 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6769 .2494 .4326 .3520 Means: -.8720 -1.6982 -.5312 .0961 .7095 -.4239 .6519 .2133 .3969 -.0946 2.00 analyzed_17