1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6716 .5015 .5788 .0208 2 ALA 2 -1.9992 999.9900 999.9900 999.9900 .7458 -.6267 .6702 .3177 .4646 -.0664 3 ASP 3 -1.5212 -.7868 999.9900 999.9900 .8104 -.4992 .6817 .3935 .5136 -.0845 4 THR 4 .3776 999.9900 -.8810 999.9900 .4476 -.0186 .6527 -.2493 .1266 .0695 5 GLY 5 -.6797 999.9900 999.9900 999.9900 .7883 .0543 .5773 .4577 .5108 .2859 6 GLU 6 -.2789 -.3402 999.9900 -1.0323 .6899 -.2404 .6759 .5207 .5853 .0392 7 VAL 7 -.0463 999.9900 -1.0788 999.9900 .7810 -.1147 .6573 .1191 .3434 .0865 8 GLN 8 -1.1984 -2.2325 999.9900 1.3059 .5113 -.4034 .6748 .5217 .5855 -.0695 9 PHE 9 -.1228 -1.3810 999.9900 999.9900 .7573 -.2488 .6760 .1095 .3455 .0078 10 MET 10 -.2651 -.7698 999.9900 .9587 .5203 .1110 .6719 .5218 .5844 .2730 11 LYS 11 -.1715 -.7918 999.9900 .4411 .7460 .1330 .5095 .1585 .3048 .1904 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5536 -.3676 .0162 .2525 13 PHE 13 -.0017 -.3727 999.9900 999.9900 .7573 .1276 .6793 .1054 .3445 .2335 14 ILE 14 .2768 -1.6252 999.9900 999.9900 .6034 -.2483 .6530 .0507 .3016 -.0083 15 SER 15 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6745 .5373 .5944 .3466 16 GLU 16 .8733 -1.7714 999.9900 -1.0323 .6899 -.3101 .6740 .5187 .5834 -.0080 17 LYS 17 -2.0221 -2.9005 999.9900 -.4035 .7460 -.9967 .6807 .1608 .3774 -.5917 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6734 .5270 .5880 .2049 19 SER 19 .5661 999.9900 -.7153 999.9900 .6705 .1737 .6758 .5231 .5867 .3440 20 LYS 20 -3.5196 -.7357 999.9900 -.4035 .7460 -.8633 .6746 .1665 .3782 -.4965 21 SER 21 -.4771 999.9900 -.7153 999.9900 .6705 -.1740 .6742 .5293 .5897 .1363 22 LEU 22 .0986 -2.3037 999.9900 999.9900 .9565 -.4162 .6694 .1582 .3712 -.0842 23 GLU 23 -.5863 -1.1358 999.9900 -1.0323 .6899 -.5161 .6793 .5325 .5937 -.1421 24 ILE 24 .0813 -.7120 999.9900 999.9900 .6034 -.0091 .4696 .0390 .2184 .0963 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5297 -.3723 .0035 .2454 26 LEU 26 .0133 -2.4128 999.9900 999.9900 .9565 -.4810 .6781 .1606 .3762 -.1209 27 GLY 27 .7440 999.9900 999.9900 999.9900 .7883 .7661 .5834 .4727 .5219 .6471 28 PHE 28 -.5116 -1.0890 999.9900 999.9900 .7573 -.2811 .6786 .1063 .3447 -.0117 29 ASN 29 1.1272 -.1488 999.9900 999.9900 .7518 .5768 .6776 .3870 .5081 .5590 30 GLU 30 -.3012 -1.9198 999.9900 -1.0323 .6899 -.6408 .6791 .5273 .5906 -.2262 31 TYR 31 -.3674 -4.1972 999.9900 999.9900 .5630 -1.3339 .6698 -.1834 .1721 -.7030 32 PHE 32 -1.6817 -2.3327 999.9900 999.9900 .7573 -1.0857 .4766 .1189 .2680 -.5323 33 PRO 33 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5550 -.3703 .0152 -1.1231 34 ALA 34 -1.9568 999.9900 999.9900 999.9900 .7458 -.6055 .4810 .3225 .3886 -.1019 35 PRO 35 -4.5055 999.9900 999.9900 999.9900 .4496 -2.0279 .5425 -.3733 .0083 -.9717 36 PHE 36 -1.3242 -1.1947 999.9900 999.9900 .7573 -.5872 .4878 .1100 .2675 -.2327 37 PRO 37 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5554 -.3689 .0162 .2640 38 ILE 38 -1.5193 -1.4602 999.9900 999.9900 .6034 -.7920 .6581 .0360 .2952 -.3364 39 THR 39 -.5707 999.9900 -.8810 999.9900 .4476 -.3347 .6554 -.2532 .1254 -.1204 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6504 .1261 .3445 .0176 41 ASP 41 -.8144 -.5059 999.9900 999.9900 .8104 -.1700 .6792 .3801 .5047 .1099 42 LEU 42 -.5178 -3.3760 999.9900 999.9900 .9565 -.9791 .6778 .1571 .3740 -.4205 43 LEU 43 -1.1256 -1.8410 999.9900 999.9900 .9565 -.6700 .6794 .1657 .3798 -.2330 44 ASP 44 -.5058 -2.6388 999.9900 999.9900 .8104 -.7781 .6753 .3779 .5018 -.2562 45 TYR 45 -1.3836 -4.1972 999.9900 999.9900 .5630 -1.6726 .6754 -.1866 .1726 -.9058 46 SER 46 -2.0349 999.9900 -.7153 999.9900 .6705 -.6932 .6752 .5186 .5838 -.1772 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5797 .4698 .5186 -.1551 48 ARG 48 -.3796 -2.8571 999.9900 .1593 .8581 -.4120 .6767 .5221 .5865 -.1230 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6760 .5368 .5948 .2411 50 TRP 50 -.0034 -3.3859 999.9900 999.9900 .9378 -.8172 .6792 .1905 .3941 -.3164 51 THR 51 -.2319 999.9900 -.8810 999.9900 .4476 -.2218 .6536 -.2416 .1314 -.0507 52 VAL 52 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6567 .1181 .3425 .0172 53 ARG 53 -.2265 -2.3766 999.9900 .1593 .8581 -.2853 .6787 .5253 .5892 -.0318 54 MET 54 -.3206 .0433 999.9900 .9587 .5203 .3004 .6786 .5287 .5911 .4015 55 LYS 55 -.2345 -1.5020 999.9900 .1731 .7460 -.1289 .6781 .1543 .3726 .0269 56 LYS 56 -.7885 -2.9005 999.9900 -.4035 .7460 -.7500 .6784 .1494 .3698 -.4175 57 ARG 57 -1.7561 -2.3766 999.9900 .1593 .8581 -.5912 .6827 .5300 .5936 -.2490 58 GLY 58 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5817 .4773 .5237 .0172 59 GLU 59 -1.0162 -1.6501 999.9900 .3501 .6899 -.4066 .6775 .5190 .5851 -.0716 60 LYS 60 -.3414 -.0243 999.9900 -.4035 .7460 -.0853 .6769 .1521 .3708 .0575 61 VAL 61 .0764 999.9900 .9747 999.9900 .7810 .6107 .6596 .1278 .3494 .5239 62 PHE 62 -.1316 -.7592 999.9900 999.9900 .7573 -.0445 .6776 .1017 .3417 .1292 63 LEU 63 -.1596 -2.9612 999.9900 999.9900 .9565 -.7214 .6800 .1569 .3749 -.2655 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6511 -.2501 .1254 -.5755 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6615 .1258 .3490 -.1435 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5814 .4697 .5193 -.0262 67 TRP 67 .4280 -3.3859 999.9900 999.9900 .9378 -.6733 .6847 .1905 .3964 -.2290 68 GLU 68 .8733 .0026 999.9900 -1.0323 .6899 .1334 .6809 .5249 .5899 .2899 69 ASN 69 .1294 -1.0148 999.9900 999.9900 .7518 -.0445 .6740 .3828 .5041 .1846 70 PHE 70 .6259 -4.3038 999.9900 999.9900 .7573 -.9735 .6745 .0923 .3349 -.4308 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6596 .1004 .3334 .2891 72 LYS 72 .6780 -1.5918 999.9900 -.4035 .7460 -.1950 .6812 .1658 .3806 -.0183 73 ASP 73 1.3227 -3.1847 999.9900 999.9900 .8104 -.3505 .6749 .3681 .4959 -.0017 74 ASN 74 .3429 -1.0869 999.9900 999.9900 .7518 .0026 .6791 .3764 .5025 .2127 75 ASN 75 -2.3558 .0199 999.9900 999.9900 .7518 -.5280 .6730 .3851 .5050 -.1052 76 LEU 76 -2.2364 -2.4128 999.9900 999.9900 .9565 -1.2309 .6708 .1616 .3738 -.5721 77 GLU 77 -1.6894 -1.9198 999.9900 .3501 .6899 -.6423 .6797 .5194 .5862 -.2283 78 ASP 78 -.9954 -.5463 999.9900 999.9900 .8104 -.2438 .6726 .3746 .4988 .0632 79 GLY 79 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5743 .4670 .5147 -.0286 80 LYS 80 -.7292 -.3555 999.9900 .7184 .7460 .2196 .6695 .1564 .3702 .2749 81 TYR 81 .0868 .2264 999.9900 999.9900 .5630 .2920 .6741 -.1678 .1830 .2765 82 LEU 82 -.3075 -3.3760 999.9900 999.9900 .9565 -.9090 .6806 .1565 .3749 -.3780 83 GLN 83 -1.0957 -.5092 999.9900 1.3059 .5113 .0531 .6785 .5281 .5908 .2365 84 PHE 84 -.2457 -4.3038 999.9900 999.9900 .7573 -1.2641 .6750 .1114 .3462 -.6012 85 ILE 85 .1597 -3.0500 999.9900 999.9900 .6034 -.7623 .6599 .0459 .3017 -.3162 86 TYR 86 .4225 -.9448 999.9900 999.9900 .5630 .0135 .6807 -.1698 .1846 .1103 87 ASP 87 -.9728 -3.1847 999.9900 999.9900 .8104 -1.1157 .6793 .3850 .5076 -.4565 88 ARG 88 -2.5097 -1.8960 999.9900 .1593 .8581 -.6458 .6718 .5112 .5781 -.2923 89 ASP 89 -2.3854 -2.1980 999.9900 999.9900 .8104 -1.2577 .6800 .3850 .5079 -.5416 90 ARG 90 -1.6758 -2.0954 999.9900 .6901 .8581 -.3066 .6762 .5166 .5831 -.0486 91 THR 91 -.0150 999.9900 -.8810 999.9900 .4476 -.1495 .6549 -.2531 .1252 -.0093 92 PHE 92 -.0970 -3.3183 999.9900 999.9900 .7573 -.8860 .6838 .0879 .3362 -.3773 93 TYR 93 .3730 -2.2600 999.9900 999.9900 .5630 -.4413 .6885 -.1778 .1831 -.1627 94 VAL 94 -.1817 999.9900 -.0276 999.9900 .7810 .1906 .6586 .1289 .3496 .2719 95 ILE 95 -.7007 .2167 999.9900 999.9900 .6034 .0398 .6487 .0291 .2873 .1594 96 ILE 96 -.1535 .5691 999.9900 999.9900 .6034 .3397 .6594 .0364 .2960 .3430 97 TYR 97 -.0495 .4830 999.9900 999.9900 .5630 .3321 .6745 -.1627 .1861 .3016 98 GLY 98 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5740 .4743 .5186 -.0269 99 HIS 99 -3.0884 -3.1083 999.9900 999.9900 .6686 -1.8427 .6780 .3178 .4679 -.9064 100 ASN 100 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6803 .3954 .5141 -.9861 101 MET 101 -2.6662 -2.0676 999.9900 .9587 .5203 -.8137 .6793 .5261 .5899 -.3416 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6754 .2479 .4311 .3510 Means: -.7427 -1.7738 -.6133 .0838 .7095 -.4067 .6519 .2130 .3967 -.0840 2.00 analyzed_12