1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6715 .5061 .5813 .0217 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .6627 .3108 .4574 -.4363 3 ASP 3 -.9509 -2.8653 999.9900 999.9900 .8104 -1.0019 .6815 .3859 .5091 -.3877 4 THR 4 -2.1544 999.9900 -.8810 999.9900 .4476 -.8626 .6571 -.2574 .1237 -.4376 5 GLY 5 -.2842 999.9900 999.9900 999.9900 .7883 .2520 .5756 .4556 .5089 .3838 6 GLU 6 -3.2255 -1.9198 999.9900 -1.0323 .6899 -1.3719 .6695 .5227 .5839 -.7159 7 VAL 7 -.3161 999.9900 .6672 999.9900 .7810 .3774 .6542 .1308 .3489 .3834 8 GLN 8 -1.0957 -.8787 999.9900 1.3059 .5113 -.0393 .6708 .5209 .5834 .1724 9 PHE 9 -.9952 -1.6164 999.9900 999.9900 .7573 -.6181 .6799 .0993 .3412 -.2150 10 MET 10 -.0824 -.6258 999.9900 .9587 .5203 .1927 .6757 .5157 .5824 .3270 11 LYS 11 -.5771 -2.9005 999.9900 -.0397 .7460 -.5622 .4796 .1579 .2920 -.3105 12 PRO 12 .0120 999.9900 999.9900 999.9900 .4496 .2308 .5644 -.3577 .0265 .1671 13 PHE 13 .1032 -1.1403 999.9900 999.9900 .7573 -.0933 .6799 .1090 .3469 .1018 14 ILE 14 -.0022 -1.2776 999.9900 999.9900 .6034 -.2255 .6598 .0344 .2950 .0036 15 SER 15 .8760 999.9900 -.7153 999.9900 .6705 .2770 .6828 .5341 .5961 .4096 16 GLU 16 .4426 .6303 999.9900 -1.0323 .6899 .1826 .6814 .5275 .5916 .3232 17 LYS 17 -2.0221 .1550 999.9900 -.4035 .7460 -.3856 .6838 .1626 .3798 -.1545 18 SER 18 -.1309 999.9900 -.7153 999.9900 .6705 -.0586 .6761 .5381 .5956 .2077 19 SER 19 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6754 .5274 .5891 .3590 20 LYS 20 -2.7709 -1.2879 999.9900 -.4035 .7460 -.8239 .6766 .1456 .3669 -.4711 21 SER 21 -.0851 999.9900 -.0289 999.9900 .6705 .1855 .6796 .5258 .5899 .3524 22 LEU 22 -.4065 -3.3760 999.9900 999.9900 .9565 -.9420 .6815 .1560 .3750 -.3977 23 GLU 23 -.8477 -2.8418 999.9900 -1.0323 .6899 -1.0080 .6737 .5185 .5831 -.4733 24 ILE 24 -.1408 -3.0500 999.9900 999.9900 .6034 -.8625 .4533 .0454 .2153 -.4178 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5431 -.3748 .0076 .2481 26 LEU 26 .4996 -2.9612 999.9900 999.9900 .9565 -.5017 .6738 .1582 .3731 -.1346 27 GLY 27 1.0801 999.9900 999.9900 999.9900 .7883 .9342 .5879 .4798 .5278 .7340 28 PHE 28 -.5116 -3.3183 999.9900 999.9900 .7573 -1.0242 .6788 .1129 .3487 -.4562 29 ASN 29 .5887 -.2320 999.9900 999.9900 .7518 .3695 .6763 .3760 .5011 .4322 30 GLU 30 -.2702 -2.1111 999.9900 .3501 .6899 -.3353 .6752 .5267 .5886 -.0232 31 TYR 31 -.4658 -4.1972 999.9900 999.9900 .5630 -1.3667 .6760 -.1717 .1815 -.7191 32 PHE 32 -3.6149 -3.6820 999.9900 999.9900 .7573 -2.1798 .4937 .1159 .2733 -1.1860 33 PRO 33 -5.1268 999.9900 999.9900 999.9900 .4496 -2.3386 .5551 -.3704 .0152 -1.1231 34 ALA 34 -3.4646 999.9900 999.9900 999.9900 .7458 -1.3594 .4824 .3234 .3896 -.4783 35 PRO 35 .4197 999.9900 999.9900 999.9900 .4496 .4347 .5575 -.3604 .0221 .2666 36 PHE 36 -1.3242 -1.1947 999.9900 999.9900 .7573 -.5872 .4719 .0979 .2538 -.2383 37 PRO 37 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5404 -.3687 .0101 .2490 38 ILE 38 -1.4952 -2.6526 999.9900 999.9900 .6034 -1.1814 .6512 .0427 .2962 -.5701 39 THR 39 .1260 999.9900 -.2947 999.9900 .4476 .0930 .6590 -.2557 .1255 .1365 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 .7810 -.2295 .6620 .1181 .3447 .0183 41 ASP 41 -.9091 .9052 999.9900 999.9900 .8104 .2689 .6820 .3886 .5108 .3754 42 LEU 42 -.8032 -3.3760 999.9900 999.9900 .9565 -1.0742 .6780 .1506 .3703 -.4788 43 LEU 43 -.7230 -2.5464 999.9900 999.9900 .9565 -.7709 .6739 .1438 .3647 -.2990 44 ASP 44 -.5058 -1.4116 999.9900 999.9900 .8104 -.3690 .6766 .3756 .5010 -.0110 45 TYR 45 -3.1208 -3.2286 999.9900 999.9900 .5630 -1.9288 .6718 -.1978 .1645 -1.0625 46 SER 46 -1.7311 999.9900 -.7153 999.9900 .6705 -.5920 .6798 .5329 .5941 -.1126 47 GLY 47 -1.7786 999.9900 999.9900 999.9900 .7883 -.4952 .5809 .4710 .5198 .0154 48 ARG 48 -.5733 -.8531 999.9900 .7862 .8581 .2008 .6770 .5181 .5843 .3142 49 SER 49 .0374 999.9900 -.7153 999.9900 .6705 -.0025 .6740 .5259 .5876 .2385 50 TRP 50 -.3875 -3.3859 999.9900 999.9900 .9378 -.9452 .6817 .1939 .3972 -.3920 51 THR 51 -.2319 999.9900 .9776 999.9900 .4476 .3978 .6589 -.2512 .1280 .3202 52 VAL 52 .1037 999.9900 -1.0788 999.9900 .7810 -.0647 .6587 .1175 .3430 .1164 53 ARG 53 -.2265 -2.3766 999.9900 .1593 .8581 -.2853 .6809 .5206 .5874 -.0321 54 MET 54 -.3206 -2.5481 999.9900 .9587 .5203 -.3474 .6741 .5237 .5864 -.0320 55 LYS 55 -.2455 -.3710 999.9900 .1731 .7460 .0951 .6733 .1595 .3736 .1869 56 LYS 56 -.6747 -1.8181 999.9900 -.4035 .7460 -.5108 .6766 .1629 .3769 -.2449 57 ARG 57 -1.1879 -1.4154 999.9900 .7862 .8581 -.0346 .6780 .5172 .5842 .1460 58 GLY 58 -2.0431 999.9900 999.9900 999.9900 .7883 -.6274 .5845 .4696 .5207 -.0502 59 GLU 59 -1.0162 -2.8418 999.9900 1.7325 .6899 -.3589 .6764 .5227 .5867 -.0394 60 LYS 60 -.8010 -1.5020 999.9900 -.0397 .7460 -.3273 .6810 .1590 .3765 -.1138 61 VAL 61 .3116 999.9900 -.2457 999.9900 .7810 .2823 .6569 .1308 .3500 .3269 62 PHE 62 -.1316 -.7088 999.9900 999.9900 .7573 -.0277 .6770 .0874 .3331 .1362 63 LEU 63 -.2787 -2.9612 999.9900 999.9900 .9565 -.7611 .6782 .1481 .3689 -.2914 64 THR 64 -2.6731 999.9900 -.8810 999.9900 .4476 -1.0355 .6500 -.2438 .1287 -.5401 65 VAL 65 -1.2071 999.9900 -1.0788 999.9900 .7810 -.5016 .6523 .1258 .3452 -.1454 66 GLY 66 -1.9441 999.9900 999.9900 999.9900 .7883 -.5779 .5799 .4749 .5216 -.0253 67 TRP 67 -.0620 -.5700 999.9900 999.9900 .9378 .1019 .6742 .1824 .3873 .2325 68 GLU 68 .8733 -2.8418 999.9900 -1.0323 .6899 -.5777 .6812 .5186 .5863 -.1852 69 ASN 69 .1294 -.3237 999.9900 999.9900 .7518 .1858 .6799 .3790 .5044 .3233 70 PHE 70 .8041 -4.3038 999.9900 999.9900 .7573 -.9141 .6835 .1134 .3510 -.3891 71 VAL 71 .9834 999.9900 -.5532 999.9900 .7810 .4038 .6557 .1337 .3512 .4001 72 LYS 72 .3654 -1.5918 999.9900 -.4035 .7460 -.2575 .6714 .1559 .3707 -.0657 73 ASP 73 1.3227 -3.7306 999.9900 999.9900 .8104 -.5325 .6787 .3758 .5020 -.1086 74 ASN 74 .3429 -1.7113 999.9900 999.9900 .7518 -.2055 .6743 .3830 .5044 .0881 75 ASN 75 -2.3558 -1.7113 999.9900 999.9900 .7518 -1.1051 .6755 .3822 .5044 -.4515 76 LEU 76 -2.4740 -1.9410 999.9900 999.9900 .9565 -1.1528 .6805 .1601 .3769 -.5236 77 GLU 77 -.6897 -1.4588 999.9900 -1.0323 .6899 -.6227 .6707 .5194 .5824 -.2168 78 ASP 78 -1.5212 -.8657 999.9900 999.9900 .8104 -.5255 .6736 .3836 .5044 -.1038 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5870 .4707 .5224 -.1117 80 LYS 80 -.7762 -1.6955 999.9900 -.4035 .7460 -.5065 .6803 .1469 .3692 -.2436 81 TYR 81 .0868 -.6325 999.9900 999.9900 .5630 .0057 .6829 -.1728 .1838 .1055 82 LEU 82 -.5127 -1.4497 999.9900 999.9900 .9565 -.3353 .6743 .1609 .3748 -.0342 83 GLN 83 -.5179 -.6527 999.9900 1.3059 .5113 .1617 .6702 .5219 .5837 .3065 84 PHE 84 .0900 -1.1947 999.9900 999.9900 .7573 -.1158 .6754 .1156 .3488 .0887 85 ILE 85 .3408 -.6929 999.9900 999.9900 .6034 .0838 .6534 .0432 .2974 .1896 86 TYR 86 .0686 -2.9749 999.9900 999.9900 .5630 -.7811 .6739 -.1945 .1673 -.3728 87 ASP 87 -.4411 -2.8653 999.9900 999.9900 .8104 -.8320 .6815 .3760 .5033 -.2877 88 ARG 88 -2.5097 -2.8571 999.9900 .1593 .8581 -.8380 .6779 .5163 .5836 -.4280 89 ASP 89 -2.3854 -1.3712 999.9900 999.9900 .8104 -.9821 .6736 .3854 .5055 -.3774 90 ARG 90 -1.8488 -1.4154 999.9900 .1593 .8581 -.4175 .6829 .5231 .5897 -.1259 91 THR 91 .5084 999.9900 .6346 999.9900 .4476 .5302 .6614 -.2610 .1234 .3982 92 PHE 92 .1032 -2.3327 999.9900 999.9900 .7573 -.4907 .6726 .0947 .3355 -.1410 93 TYR 93 .3730 .8376 999.9900 999.9900 .5630 .5912 .6754 -.1823 .1751 .4533 94 VAL 94 -.9687 999.9900 -1.0788 999.9900 .7810 -.4221 .6602 .1187 .3443 -.0975 95 ILE 95 -.9405 -.4094 999.9900 999.9900 .6034 -.2488 .6563 .0433 .2987 -.0094 96 ILE 96 -.2299 -2.1272 999.9900 999.9900 .6034 -.5846 .6588 .0452 .3009 -.2099 97 TYR 97 -.1271 -.6802 999.9900 999.9900 .5630 -.0814 .6742 -.1629 .1859 .0534 98 GLY 98 -.8931 999.9900 999.9900 999.9900 .7883 -.0524 .5826 .4763 .5235 .2385 99 HIS 99 -1.4902 .5126 999.9900 999.9900 .6686 -.1030 .6761 .3300 .4742 .1394 100 ASN 100 -1.3289 -1.0869 999.9900 999.9900 .7518 -.5547 .6766 .3917 .5104 -.1191 101 MET 101 -.2651 .0433 999.9900 .9587 .5203 .3143 .6778 .5210 .5863 .4093 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6775 .2532 .4350 .3535 Means: -.7198 -1.7453 -.4404 .0928 .7095 -.3826 .6519 .2124 .3963 -.0693 2.00 analyzed_20