1 MET 1 999.9900 -2.5481 999.9900 .9587 .5203 -.3564 .6790 .5080 .5857 .0236 2 ALA 2 -1.4845 999.9900 999.9900 999.9900 .7458 -.3694 .6612 .3307 .4684 .0633 3 ASP 3 -3.3417 -2.3194 999.9900 999.9900 .8104 -1.6169 .6768 .3812 .5044 -.7585 4 THR 4 -.2485 999.9900 .4804 999.9900 .4476 .2265 .6549 -.2758 .1120 .2117 5 GLY 5 -.9159 999.9900 999.9900 999.9900 .7883 -.0638 .5727 .4718 .5167 .2292 6 GLU 6 -2.8104 .5420 999.9900 -1.0323 .6899 -.6527 .6750 .5193 .5842 -.2361 7 VAL 7 -.0145 999.9900 -1.0788 999.9900 .7810 -.1041 .6547 .1160 .3404 .0917 8 GLN 8 -.5881 -1.9601 999.9900 1.3059 .5113 -.1827 .6764 .5159 .5828 .0769 9 PHE 9 -.7647 -1.9363 999.9900 999.9900 .7573 -.6479 .6757 .1091 .3452 -.2318 10 MET 10 -.1559 -.9517 999.9900 .9587 .5203 .0929 .6792 .5181 .5852 .2615 11 LYS 11 -.6340 -.4196 999.9900 -.4035 .7460 -.2229 .5003 .1610 .3024 -.0648 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5442 -.3744 .0083 .2485 13 PHE 13 .0490 -1.2232 999.9900 999.9900 .7573 -.1390 .6756 .1164 .3494 .0750 14 ILE 14 .0187 -.8802 999.9900 999.9900 .6034 -.0860 .6524 .0409 .2957 .0871 15 SER 15 .6370 999.9900 -.7153 999.9900 .6705 .1974 .6818 .5339 .5955 .3616 16 GLU 16 .6833 -1.7714 999.9900 -1.0323 .6899 -.3576 .6782 .5232 .5877 -.0382 17 LYS 17 -1.4447 -1.2879 999.9900 .4778 .7460 -.2062 .6677 .1569 .3697 -.0295 18 SER 18 .4640 999.9900 -.0289 999.9900 .6705 .3686 .6801 .5377 .5971 .4647 19 SER 19 .1589 999.9900 -.0289 999.9900 .6705 .2669 .6747 .5241 .5869 .3999 20 LYS 20 -3.5196 -1.5020 999.9900 -.0397 .7460 -.8710 .6815 .1549 .3743 -.5027 21 SER 21 -.4961 999.9900 -.7153 999.9900 .6705 -.1803 .6765 .5296 .5908 .1330 22 LEU 22 -1.0889 -2.9612 999.9900 999.9900 .9565 -1.0312 .6776 .1629 .3774 -.4506 23 GLU 23 -.4497 -.8834 999.9900 -1.0323 .6899 -.4189 .6712 .5213 .5838 -.0805 24 ILE 24 .0813 -.6139 999.9900 999.9900 .6034 .0236 .4686 .0441 .2210 .1167 25 PRO 25 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5479 -.3697 .0126 .2506 26 LEU 26 .6509 -2.4128 999.9900 999.9900 .9565 -.2685 .6747 .1542 .3711 .0047 27 GLY 27 .0582 999.9900 999.9900 999.9900 .7883 .4232 .5870 .4729 .5236 .4766 28 PHE 28 -1.3242 -3.6820 999.9900 999.9900 .7573 -1.4163 .6819 .1113 .3490 -.6911 29 ASN 29 .1294 -.7732 999.9900 999.9900 .7518 .0360 .6800 .3851 .5080 .2346 30 GLU 30 .0468 -.4402 999.9900 -1.0323 .6899 -.1839 .6777 .5265 .5895 .0781 31 TYR 31 -.2520 -3.5861 999.9900 999.9900 .5630 -1.0917 .6744 -.1885 .1711 -.5578 32 PHE 32 -3.6149 -.4187 999.9900 999.9900 .7573 -1.0921 .4879 .1073 .2659 -.5362 33 PRO 33 .3744 999.9900 999.9900 999.9900 .4496 .4120 .5358 -.3860 -.0019 .2435 34 ALA 34 -.4433 999.9900 999.9900 999.9900 .7458 .1513 .4586 .3130 .3737 .2685 35 PRO 35 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5480 -.3596 .0186 .2065 36 PHE 36 -1.5081 .0697 999.9900 999.9900 .7573 -.2270 .4887 .1182 .2725 -.0148 37 PRO 37 .1879 999.9900 999.9900 999.9900 .4496 .3188 .5360 -.3778 .0030 .1989 38 ILE 38 1.0067 -1.4972 999.9900 999.9900 .6034 .0376 .6560 .0486 .3017 .1635 39 THR 39 -.8088 999.9900 -.8810 999.9900 .4476 -.4141 .6560 -.2811 .1093 -.1735 40 VAL 40 -.0582 999.9900 .2799 999.9900 .7810 .3342 .6554 .1091 .3367 .3534 41 ASP 41 -1.0681 .2908 999.9900 999.9900 .8104 .0110 .6708 .3730 .4971 .2154 42 LEU 42 .1006 -2.2115 999.9900 999.9900 .9565 -.3848 .6842 .1524 .3740 -.0635 43 LEU 43 .0762 -2.9612 999.9900 999.9900 .9565 -.6428 .6783 .1561 .3737 -.2188 44 ASP 44 -1.5212 -2.6388 999.9900 999.9900 .8104 -1.1165 .6751 .3789 .5023 -.4591 45 TYR 45 -3.6999 -.0292 999.9900 999.9900 .5630 -1.0554 .6788 -.1709 .1831 -.5316 46 SER 46 -2.2020 999.9900 -.7153 999.9900 .6705 -.7490 .6716 .5345 .5916 -.2082 47 GLY 47 -2.4582 999.9900 999.9900 999.9900 .7883 -.8350 .5769 .4655 .5150 -.1569 48 ARG 48 -.5733 -1.2607 999.9900 .1593 .8581 -.1315 .6736 .5182 .5829 .0764 49 SER 49 .0374 999.9900 1.0592 999.9900 .6705 .5891 .6801 .5429 .6001 .5980 50 TRP 50 -.1951 -.6490 999.9900 999.9900 .9378 .0312 .6742 .1879 .3905 .1912 51 THR 51 .4171 999.9900 -.8810 999.9900 .4476 -.0055 .6550 -.2479 .1283 .0781 52 VAL 52 -.0145 999.9900 .4980 999.9900 .7810 .4215 .6616 .1110 .3404 .4074 53 ARG 53 -.5160 -2.0954 999.9900 .1593 .8581 -.2869 .6788 .5119 .5814 -.0349 54 MET 54 -.3206 -.4711 999.9900 .9587 .5203 .1718 .6768 .5152 .5825 .3132 55 LYS 55 -.1765 -.9203 999.9900 .6177 .7460 .1769 .6719 .1518 .3685 .2441 56 LYS 56 -.3350 -1.9682 999.9900 -.4035 .7460 -.4728 .6758 .1597 .3747 -.2184 57 ARG 57 -1.2223 -1.2607 999.9900 1.0005 .8581 .0752 .6740 .5184 .5833 .2241 58 GLY 58 -.2363 999.9900 999.9900 999.9900 .7883 .2760 .5745 .4785 .5212 .4012 59 GLU 59 -.7734 -1.7714 999.9900 .3501 .6899 -.3762 .6832 .5242 .5905 -.0496 60 LYS 60 -.3038 -.3256 999.9900 -.4035 .7460 -.1381 .6774 .1572 .3740 .0206 61 VAL 61 .0429 999.9900 .4980 999.9900 .7810 .4407 .6634 .1156 .3439 .4202 62 PHE 62 -.3916 -.1035 999.9900 999.9900 .7573 .0874 .6792 .1025 .3428 .2088 63 LEU 63 -.4065 -.8597 999.9900 999.9900 .9565 -.1032 .6733 .1597 .3737 .1047 64 THR 64 -4.2065 999.9900 .4804 999.9900 .4476 -1.0929 .6615 -.2577 .1253 -.5750 65 VAL 65 -1.2071 999.9900 .1416 999.9900 .7810 -.0948 .6556 .1281 .3479 .0998 66 GLY 66 -2.9723 999.9900 999.9900 999.9900 .7883 -1.0920 .5793 .4683 .5176 -.2841 67 TRP 67 .2222 -3.3859 999.9900 999.9900 .9378 -.7419 .6780 .1936 .3954 -.2708 68 GLU 68 .8604 -.8169 999.9900 -1.0323 .6899 -.0747 .6811 .5203 .5873 .1504 69 ASN 69 1.1117 -1.1653 999.9900 999.9900 .7518 .2327 .6729 .3771 .5004 .3497 70 PHE 70 .8041 -.4798 999.9900 999.9900 .7573 .3606 .6774 .1031 .3424 .3724 71 VAL 71 .9834 999.9900 -1.0788 999.9900 .7810 .2286 .6562 .1240 .3458 .2932 72 LYS 72 .6780 -2.1617 999.9900 .4778 .7460 .0436 .6762 .1500 .3693 .1492 73 ASP 73 .9921 -1.4542 999.9900 999.9900 .8104 .1161 .6750 .3735 .4991 .2794 74 ASN 74 .5247 .7079 999.9900 999.9900 .7518 .6615 .6700 .3774 .4993 .6064 75 ASN 75 -3.4329 -3.3254 999.9900 999.9900 .7518 -2.0021 .6775 .3880 .5086 -.9882 76 LEU 76 -.0766 -2.4128 999.9900 999.9900 .9565 -.5110 .6809 .1511 .3719 -.1402 77 GLU 77 -1.3743 -2.1111 999.9900 -1.0323 .6899 -.9570 .6754 .5300 .5906 -.4371 78 ASP 78 -.9954 -2.0928 999.9900 999.9900 .8104 -.7593 .6833 .3893 .5118 -.2410 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .7883 -.7522 .5856 .4737 .5235 -.1113 80 LYS 80 -.7292 -1.2293 999.9900 .8416 .7460 .0941 .6773 .1617 .3765 .1871 81 TYR 81 -.1271 .4149 999.9900 999.9900 .5630 .2836 .6764 -.1683 .1837 .2718 82 LEU 82 -.4930 -.6635 999.9900 999.9900 .9565 -.0667 .6806 .1526 .3726 .1267 83 GLN 83 -.6030 -2.6982 999.9900 1.3059 .5113 -.3710 .6775 .5240 .5879 -.0471 84 PHE 84 -.2457 -3.3183 999.9900 999.9900 .7573 -.9355 .6795 .1006 .3418 -.4053 85 ILE 85 .3408 -2.1272 999.9900 999.9900 .6034 -.3943 .6571 .0376 .2957 -.0977 86 TYR 86 .4225 -4.1972 999.9900 999.9900 .5630 -1.0706 .6750 -.1891 .1709 -.5452 87 ASP 87 -2.3854 -2.8653 999.9900 999.9900 .8104 -1.4801 .6766 .3832 .5054 -.6761 88 ARG 88 -2.9267 -2.8571 999.9900 .6901 .8581 -.7091 .6731 .5209 .5843 -.3359 89 ASP 89 -3.3417 -.8657 999.9900 999.9900 .8104 -1.1323 .6782 .3852 .5073 -.4667 90 ARG 90 -2.5097 -2.3766 999.9900 .1593 .8581 -.7419 .6816 .5225 .5888 -.3579 91 THR 91 .5084 999.9900 -.8810 999.9900 .4476 .0250 .6517 -.2387 .1323 .0976 92 PHE 92 -.0168 -.8691 999.9900 999.9900 .7573 -.0429 .6734 .1070 .3430 .1304 93 TYR 93 .2641 .3615 999.9900 999.9900 .5630 .3962 .6744 -.1784 .1769 .3369 94 VAL 94 -.3909 999.9900 .8662 999.9900 .7810 .4188 .6570 .1159 .3414 .4058 95 ILE 95 -.9405 .9074 999.9900 999.9900 .6034 .1901 .6545 .0328 .2919 .2515 96 ILE 96 .3543 -2.1272 999.9900 999.9900 .6034 -.3898 .6581 .0479 .3021 -.0927 97 TYR 97 .0214 -.2802 999.9900 999.9900 .5630 .1014 .6759 -.1878 .1721 .1584 98 GLY 98 -.9638 999.9900 999.9900 999.9900 .7883 -.0878 .5780 .4747 .5206 .2193 99 HIS 99 -.6701 .4019 999.9900 999.9900 .6686 .1335 .6768 .3391 .4798 .2832 100 ASN 100 -1.1054 -.4625 999.9900 999.9900 .7518 -.2720 .6767 .3765 .5016 .0474 101 MET 101 -1.4527 -1.1990 999.9900 .9587 .5203 -.2932 .6777 .5099 .5798 .0025 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .6729 .2391 .4250 .3472 Means: -.6359 -1.4122 -.1353 .1864 .7095 -.2582 .6513 .2117 .3957 .0072 2.00 analyzed_11