1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6750 .5085 .5842 .0229 2 ALA 2 -3.0686 999.9900 999.9900 999.9900 .7458 -1.1614 .6737 .3190 .4668 -.3325 3 ASP 3 -1.2094 -1.1954 999.9900 999.9900 .8104 -.5315 .6788 .3803 .5047 -.1071 4 THR 4 -.3275 999.9900 .2916 999.9900 .4476 .1372 .6606 -.2459 .1318 .1653 5 GLY 5 -1.2645 999.9900 999.9900 999.9900 .7883 -.2381 .5940 .4734 .5270 .1478 6 GLU 6 -2.0601 -1.2470 999.9900 1.1588 .6899 -.3646 .6780 .5152 .5830 -.0442 7 VAL 7 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .6508 .1139 .3376 .0841 8 GLN 8 -.4190 -2.6982 999.9900 2.7911 .5113 .0463 .6831 .5288 .5931 .2328 9 PHE 9 -.9952 -1.3810 999.9900 999.9900 .7573 -.5396 .6806 .1077 .3464 -.1661 10 MET 10 -.9371 -2.5481 999.9900 .9587 .5203 -.5016 .6743 .5143 .5810 -.1363 11 LYS 11 -.8267 -1.1257 999.9900 -.4035 .7460 -.4027 .4835 .1618 .2959 -.1954 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5538 -.3633 .0188 .2536 13 PHE 13 -.0017 -.5870 999.9900 999.9900 .7573 .0562 .6816 .0981 .3412 .1897 14 ILE 14 .0718 -1.4972 999.9900 999.9900 .6034 -.2740 .6594 .0463 .3018 -.0233 15 SER 15 .1386 999.9900 -.7153 999.9900 .6705 .0313 .6736 .5270 .5881 .2589 16 GLU 16 .5470 -1.9198 999.9900 .3501 .6899 -.0832 .6785 .5179 .5848 .1439 17 LYS 17 -1.2734 -2.9005 999.9900 -.4035 .7460 -.8470 .6828 .1550 .3749 -.4853 18 SER 18 -.9598 999.9900 -.7153 999.9900 .6705 -.3349 .6803 .5327 .5942 .0417 19 SER 19 .8651 999.9900 .3727 999.9900 .6705 .6361 .6767 .5309 .5917 .6232 20 LYS 20 -3.5196 .1550 999.9900 .3546 .7460 -.3819 .6746 .1541 .3710 -.1544 21 SER 21 -.2386 999.9900 -.7153 999.9900 .6705 -.0945 .6781 .5351 .5947 .1860 22 LEU 22 -1.0889 -3.3760 999.9900 999.9900 .9565 -1.1695 .6733 .1537 .3702 -.5363 23 GLU 23 -.3890 -1.4588 999.9900 .3501 .6899 -.2019 .6742 .5151 .5814 .0636 24 ILE 24 .2593 -.6139 999.9900 999.9900 .6034 .0829 .4627 .0386 .2153 .1500 25 PRO 25 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5488 -.3754 .0097 .2027 26 LEU 26 .6509 -3.3760 999.9900 999.9900 .9565 -.5895 .6766 .1515 .3703 -.1881 27 GLY 27 -.2551 999.9900 999.9900 999.9900 .7883 .2666 .5809 .4744 .5217 .3971 28 PHE 28 -1.7494 -3.6820 999.9900 999.9900 .7573 -1.5580 .6700 .1073 .3417 -.7794 29 ASN 29 .1294 -1.0869 999.9900 999.9900 .7518 -.0686 .6767 .3868 .5076 .1716 30 GLU 30 .0468 .3534 999.9900 1.1588 .6899 .5622 .6767 .5213 .5860 .5745 31 TYR 31 .3338 -4.1972 999.9900 999.9900 .5630 -1.1002 .6766 -.1772 .1785 -.5602 32 PHE 32 -3.6149 -.4925 999.9900 999.9900 .7573 -1.1167 .4774 .1074 .2616 -.5531 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5325 -.3511 .0171 .2514 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4833 .3179 .3868 .2759 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5225 -.3906 -.0101 .2503 36 PHE 36 -1.5081 -.4187 999.9900 999.9900 .7573 -.3898 .4825 .1129 .2669 -.1148 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5496 -.3681 .0143 .2047 38 ILE 38 -1.3252 -.5232 999.9900 999.9900 .6034 -.4150 .6588 .0538 .3059 -.1065 39 THR 39 -.8088 999.9900 -.2947 999.9900 .4476 -.2186 .6562 -.2590 .1223 -.0517 40 VAL 40 -.0523 999.9900 .4980 999.9900 .7810 .4089 .6557 .1240 .3455 .4013 41 ASP 41 -.5526 .0784 999.9900 999.9900 .8104 .1121 .6796 .3832 .5067 .2798 42 LEU 42 -.2443 -.2454 999.9900 999.9900 .9565 .1556 .6749 .1511 .3694 .2586 43 LEU 43 .0762 -2.4128 999.9900 999.9900 .9565 -.4600 .6736 .1580 .3728 -.1097 44 ASP 44 -1.3105 -2.4630 999.9900 999.9900 .8104 -.9877 .6740 .3867 .5064 -.3805 45 TYR 45 -3.6999 -4.1972 999.9900 999.9900 .5630 -2.4447 .6756 -.1818 .1755 -1.3681 46 SER 46 -3.7598 999.9900 -.7153 999.9900 .6705 -1.2682 .6780 .5376 .5961 -.5178 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5744 .4583 .5099 -.1593 48 ARG 48 -.5733 -1.1946 999.9900 .1593 .8581 -.1182 .6712 .5066 .5752 .0838 49 SER 49 -.0526 999.9900 -.7153 999.9900 .6705 -.0325 .6794 .5333 .5941 .2230 50 TRP 50 -.5632 -1.4740 999.9900 999.9900 .9378 -.3665 .6840 .1949 .3987 -.0441 51 THR 51 .4909 999.9900 -.8810 999.9900 .4476 .0192 .6651 -.2562 .1277 .0933 52 VAL 52 -.0582 999.9900 -1.0788 999.9900 .7810 -.1186 .6479 .1270 .3441 .0838 53 ARG 53 -.5160 -2.8571 999.9900 .5548 .8581 -.2811 .6754 .5166 .5828 -.0305 54 MET 54 -.4857 -.2630 999.9900 .9587 .5203 .1826 .6714 .5069 .5754 .3181 55 LYS 55 -.3038 -1.5918 999.9900 -.4035 .7460 -.3913 .6742 .1534 .3704 -.1613 56 LYS 56 -.1765 -2.4344 999.9900 -.0770 .7460 -.4038 .6816 .1771 .3873 -.1657 57 ARG 57 -1.7561 -1.2607 999.9900 .1593 .8581 -.3680 .6716 .5175 .5817 -.0930 58 GLY 58 -.4254 999.9900 999.9900 999.9900 .7883 .1814 .5553 .4532 .4986 .3428 59 GLU 59 -.7734 -2.3808 999.9900 1.1588 .6899 -.3264 .6790 .5250 .5892 -.0169 60 LYS 60 -.1867 -.4030 999.9900 -.0397 .7460 .0154 .6724 .1521 .3689 .1288 61 VAL 61 .3758 999.9900 -.2457 999.9900 .7810 .3037 .6567 .1255 .3468 .3387 62 PHE 62 -.2058 -2.4384 999.9900 999.9900 .7573 -.6289 .6776 .0887 .3340 -.2241 63 LEU 63 -.1775 -2.5464 999.9900 999.9900 .9565 -.5891 .6765 .1541 .3718 -.1874 64 THR 64 -4.2065 999.9900 .2916 999.9900 .4476 -1.1558 .6579 -.2473 .1299 -.6113 65 VAL 65 -.7790 999.9900 -1.0788 999.9900 .7810 -.3589 .6573 .1243 .3464 -.0590 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5916 .4727 .5256 -.2799 67 TRP 67 -.6924 -3.3859 999.9900 999.9900 .9378 -1.0468 .6743 .1935 .3939 -.4545 68 GLU 68 .8733 -.9977 999.9900 -1.0323 .6899 -.1167 .6731 .5186 .5830 .1208 69 ASN 69 1.0488 .9721 999.9900 999.9900 .7518 .9242 .6789 .3864 .5083 .7676 70 PHE 70 .8041 -.4798 999.9900 999.9900 .7573 .3606 .6727 .1036 .3407 .3716 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6634 .1191 .3459 .2936 72 LYS 72 .6780 -.5490 999.9900 -.4035 .7460 .0136 .6748 .1682 .3793 .1301 73 ASP 73 .9921 -1.9171 999.9900 999.9900 .8104 -.0382 .6739 .3686 .4958 .1856 74 ASN 74 .2737 -2.0766 999.9900 999.9900 .7518 -.3504 .6741 .3701 .4968 -.0014 75 ASN 75 -3.4329 -1.0148 999.9900 999.9900 .7518 -1.2320 .6797 .3904 .5109 -.5252 76 LEU 76 -.4552 -.3774 999.9900 999.9900 .9565 .0413 .6804 .1494 .3706 .1907 77 GLU 77 -1.3743 -2.3808 999.9900 -1.0323 .6899 -1.0244 .6749 .5140 .5810 -.4848 78 ASP 78 -.6028 -3.7306 999.9900 999.9900 .8104 -1.1743 .6812 .3810 .5061 -.4922 79 GLY 79 -2.1575 999.9900 999.9900 999.9900 .7883 -.6846 .5820 .4802 .5254 -.0768 80 LYS 80 -.7762 -.4196 999.9900 -.0397 .7460 -.1059 .6781 .1526 .3716 .0431 81 TYR 81 .4043 -1.2283 999.9900 999.9900 .5630 -.0870 .6798 -.1658 .1865 .0506 82 LEU 82 .0291 -.1789 999.9900 999.9900 .9565 .2689 .6775 .1566 .3737 .3282 83 GLN 83 -.1966 -1.7668 999.9900 1.3059 .5113 -.0365 .6814 .5266 .5911 .1770 84 PHE 84 -.2457 -3.6820 999.9900 999.9900 .7573 -1.0568 .6805 .0960 .3396 -.4788 85 ILE 85 .3543 -2.6526 999.9900 999.9900 .6034 -.5649 .6572 .0526 .3045 -.1970 86 TYR 86 .4043 -4.1972 999.9900 999.9900 .5630 -1.0767 .6800 -.1585 .1909 -.5417 87 ASP 87 -1.6275 -1.5978 999.9900 999.9900 .8104 -.8050 .6734 .3924 .5095 -.2698 88 ARG 88 -2.0927 -2.8571 999.9900 .1593 .8581 -.7546 .6798 .5239 .5888 -.3671 89 ASP 89 -3.3417 -.9083 999.9900 999.9900 .8104 -1.1465 .6846 .3924 .5141 -.4725 90 ARG 90 -1.7561 -1.8960 999.9900 .1593 .8581 -.4951 .6733 .5159 .5815 -.1837 91 THR 91 .3447 999.9900 -.8810 999.9900 .4476 -.0296 .6584 -.2614 .1219 .0617 92 PHE 92 .1161 -1.6624 999.9900 999.9900 .7573 -.2630 .6792 .0940 .3378 -.0031 93 TYR 93 -.4486 -.3906 999.9900 999.9900 .5630 -.0921 .6743 -.1893 .1706 .0418 94 VAL 94 -.1817 999.9900 -.0276 999.9900 .7810 .1906 .6541 .1083 .3357 .2668 95 ILE 95 -.6753 -2.0226 999.9900 999.9900 .6034 -.6982 .6551 .0435 .2983 -.2792 96 ILE 96 -.2252 -1.7297 999.9900 999.9900 .6034 -.4505 .6519 .0501 .3009 -.1299 97 TYR 97 -.6832 .0090 999.9900 999.9900 .5630 -.0371 .6726 -.1533 .1908 .0816 98 GLY 98 -2.6716 999.9900 999.9900 999.9900 .7883 -.9416 .5767 .4674 .5160 -.2098 99 HIS 99 -3.0884 -1.7284 999.9900 999.9900 .6686 -1.3827 .6816 .3265 .4744 -.6280 100 ASN 100 -2.3558 -1.8756 999.9900 999.9900 .7518 -1.1599 .6717 .3907 .5078 -.4834 101 MET 101 -2.6662 -2.5481 999.9900 .9587 .5203 -.9338 .6793 .5171 .5847 -.4232 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6726 .2559 .4345 .3527 Means: -.7353 -1.6771 -.4546 .2460 .7095 -.3556 .6513 .2125 .3962 -.0527 2.00 analyzed_13