1 MET 1 999.9900 -2.5481 999.9900 .9587 .4206 -.3896 .1598 .2848 .2280 -.1448 2 ALA 2 -3.4646 999.9900 999.9900 999.9900 -1.8670 -2.6658 .4778 .1534 .2885 -1.1751 3 ASP 3 -1.8260 -.5192 999.9900 999.9900 .0375 -.7692 -.0553 -.2665 -.1785 -.5259 4 THR 4 .1421 999.9900 -.8810 999.9900 .5490 -.0633 -.1398 .3992 .1746 .0139 5 GLY 5 -.8286 999.9900 999.9900 999.9900 .8016 -.0135 -.2518 .5120 .1725 .0583 6 GLU 6 -3.2255 .7809 999.9900 -1.0323 -.3984 -.9688 -.0833 .3098 .1460 -.6082 7 VAL 7 -.8595 999.9900 -.5532 999.9900 -.0367 -.4831 -.7344 .3640 -.0936 -.3640 8 GLN 8 -.3746 .6816 999.9900 1.3059 .7898 .6007 -.4330 .3904 .0473 .3933 9 PHE 9 .1414 .5902 999.9900 999.9900 1.0159 .5825 .1231 .5449 .3691 .4831 10 MET 10 -.1902 .8879 999.9900 .9587 .3104 .4917 .2683 .5070 .4075 .4570 11 LYS 11 -.4760 -.0337 999.9900 -.4035 -1.4057 -.5445 .4901 .4921 .4913 -.2486 12 PRO 12 -1.3581 999.9900 999.9900 999.9900 .4021 -.4780 -.4379 .5564 .1421 -.2094 13 PHE 13 -.0400 -.1118 999.9900 999.9900 .2172 .0218 .4619 .5465 .5113 .2148 14 ILE 14 .1597 -2.2551 999.9900 999.9900 -1.7278 -1.2744 -.2160 .3402 .1085 -.7398 15 SER 15 .6370 999.9900 -.0289 999.9900 .5740 .3940 .3051 .4609 .3960 .3896 16 GLU 16 .1025 .7809 999.9900 -1.0323 -.5746 -.1809 .4654 .6394 .5669 .0636 17 LYS 17 -1.4779 1.2989 999.9900 .4411 -1.2036 -.1001 -.5093 .3979 .0199 -.0874 18 SER 18 .1178 999.9900 .3727 999.9900 -.6377 -.0491 -.0680 .4609 .2406 .0492 19 SER 19 .6980 999.9900 .3727 999.9900 .6705 .5804 .3888 .4537 .4267 .5167 20 LYS 20 -3.0472 -2.9005 999.9900 .3546 .7872 -.8902 .2028 .3830 .3079 -.5522 21 SER 21 .1980 999.9900 -.0289 999.9900 .8558 .3416 .1754 .6634 .4601 .3727 22 LEU 22 -.0411 -1.8410 999.9900 999.9900 -.3368 -.7396 -.0903 .4089 .2009 -.3801 23 GLU 23 -.8365 -1.5476 999.9900 -1.0323 .2865 -.7825 .0892 -.2738 -.1225 -.5524 24 ILE 24 .2768 .6122 999.9900 999.9900 .4089 .4326 .3169 .5963 .4799 .4422 25 PRO 25 .3725 999.9900 999.9900 999.9900 -.1935 .0895 .4548 .1955 .3036 .2073 26 LEU 26 .8786 -1.0719 999.9900 999.9900 .4774 .0947 .0940 .1675 .1369 .1091 27 GLY 27 .4759 999.9900 999.9900 999.9900 .6890 .5825 .4230 .6438 .5457 .5579 28 PHE 28 .0766 .4845 999.9900 999.9900 .5495 .3702 .4027 .5597 .4943 .4146 29 ASN 29 .1214 .2165 999.9900 999.9900 .1006 .1462 .6767 .6163 .6415 .3463 30 GLU 30 .4426 .6046 999.9900 -1.0323 .6424 .1643 .3557 .4517 .4117 .2441 31 TYR 31 .3338 -.2298 999.9900 999.9900 .6556 .2532 .2186 .1227 .1627 .2202 32 PHE 32 -1.9055 -.1460 999.9900 999.9900 -.9498 -1.0004 -.0102 .0075 .0001 -.6008 33 PRO 33 -.7236 999.9900 999.9900 999.9900 .2426 -.2405 -2.4773 .0262 -1.0169 -.7330 34 ALA 34 -.4433 999.9900 999.9900 999.9900 -2.5165 -1.4799 .3574 .2528 .2963 -.5874 35 PRO 35 .6201 999.9900 999.9900 999.9900 -1.6867 -.5333 .4473 .2399 .3263 -.0949 36 PHE 36 -.2156 .0697 999.9900 999.9900 -1.2178 -.4545 .0351 .6387 .3872 -.1380 37 PRO 37 -.2410 999.9900 999.9900 999.9900 -.1050 -.1730 -.8898 .3911 -.1426 -.2112 38 ILE 38 -1.6523 -3.0500 999.9900 999.9900 .4912 -1.4037 -.0139 .4060 .2310 -.7638 39 THR 39 -.5585 999.9900 -.2947 999.9900 .6112 -.0807 -.0713 .5057 .2653 .0385 40 VAL 40 -.3909 999.9900 -1.0788 999.9900 -.8010 -.7569 .0236 .0984 .0672 -.4297 41 ASP 41 -1.0681 -1.0518 999.9900 999.9900 .8104 -.4365 .4817 .5649 .5302 -.0526 42 LEU 42 -.0536 .8730 999.9900 999.9900 .4774 .4323 -.2233 .5093 .2041 .3166 43 LEU 43 -.1196 -1.8410 999.9900 999.9900 -.4635 -.8080 -.5334 .5100 .0753 -.4895 44 ASP 44 -.6569 -3.7306 999.9900 999.9900 -.1266 -1.5047 .3646 .4168 .3951 -.7465 45 TYR 45 .0017 .5582 999.9900 999.9900 .6556 .4052 .4159 .5361 .4860 .4335 46 SER 46 .4533 999.9900 -.7153 999.9900 .3749 .0376 .4334 .5908 .5252 .2274 47 GLY 47 .4052 999.9900 999.9900 999.9900 .4883 .4468 .1763 .6914 .4625 .4403 48 ARG 48 -.4945 .1897 999.9900 .1593 .6017 .1231 .3071 .5422 .4443 .2093 49 SER 49 -.2734 999.9900 -.0289 999.9900 .1597 -.0475 .0022 .5839 .3415 .0887 50 TRP 50 -.9742 -.2441 999.9900 999.9900 .7198 -.1662 -.7552 .5785 .0228 -.1350 51 THR 51 -.2319 999.9900 .0483 999.9900 -1.6680 -.6172 -.0958 .1941 .0733 -.3507 52 VAL 52 -.0582 999.9900 -.5532 999.9900 -.0858 -.2324 .0292 .6421 .3867 -.0052 53 ARG 53 -.4945 .7395 999.9900 .9503 -1.7309 .0829 .4625 .4685 .4660 .1922 54 MET 54 -.4857 .2906 999.9900 .9587 .3104 .2685 .3123 .1169 .1983 .2505 55 LYS 55 -.1919 -2.1617 999.9900 .1140 -2.0338 -.8319 .3990 .4032 .4014 -.4796 56 LYS 56 -.4232 .4083 999.9900 .1140 .8827 .2192 -4.1106 .2656 -1.5578 -.3927 57 ARG 57 -2.0927 .8164 999.9900 .1593 -1.7309 -.5377 -1.2868 .2975 -.3626 -.5254 58 GLY 58 -.0783 999.9900 999.9900 999.9900 -.1350 -.1067 -.8695 .5321 -.0908 -.1377 59 GLU 59 -.4919 .6194 999.9900 -1.0323 -2.5035 -.8521 -.1045 -.1022 -.1031 -.6025 60 LYS 60 -.2345 -2.9005 999.9900 .9771 .4783 -.1405 -.2898 -.0293 -.1379 -.1460 61 VAL 61 .5332 999.9900 .3968 999.9900 -1.0415 -.0372 -.3557 .5794 .1898 .0224 62 PHE 62 -.0168 .9147 999.9900 999.9900 -.9498 -.0173 -1.4051 .4341 -.3323 -.2046 63 LEU 63 -.5127 -1.4996 999.9900 999.9900 -.2242 -.7455 -2.0121 -.3941 -1.0683 -.9286 64 THR 64 -4.2065 999.9900 .0483 999.9900 .0022 -1.3854 -.1087 -.1007 -.1040 -.8731 65 VAL 65 -1.2071 999.9900 -.0276 999.9900 -2.2406 -1.1584 -.0947 .4921 .2476 -.6156 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -1.1231 -1.3536 .3328 .4499 .3978 -.4811 67 TRP 67 .2222 -2.6463 999.9900 999.9900 -.1614 -.8618 .0184 .2856 .1743 -.4563 68 GLU 68 .6116 -.1645 999.9900 -1.0323 .2491 -.0840 .1959 .3759 .3009 .0393 69 ASN 69 1.1678 1.0524 999.9900 999.9900 -.0996 .7069 .0861 .6507 .4155 .5715 70 PHE 70 .6259 -.3078 999.9900 999.9900 .4513 .2565 .4594 .4474 .4524 .3352 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .5258 .1644 .0739 .6083 .3856 .2351 72 LYS 72 .6780 .9683 999.9900 .3240 .6805 .5950 .4315 .5362 .4926 .5632 73 ASP 73 .2706 -1.7105 999.9900 999.9900 .2216 -.4061 .5037 .3452 .4112 -.0739 74 ASN 74 .2737 .4888 999.9900 999.9900 -.0278 .2449 .5471 .5650 .5575 .3694 75 ASN 75 -3.4329 .7281 999.9900 999.9900 .4840 -.7402 -.4122 -.3636 -.3838 -.5993 76 LEU 76 -.1196 .8730 999.9900 999.9900 .5293 .4276 -.7745 .6549 .0593 .2326 77 GLU 77 -1.3743 -.3402 999.9900 -1.0323 .6424 -.5261 .0940 .4164 .2820 -.2657 78 ASP 78 -.2149 -1.0518 999.9900 999.9900 -.7687 -.6785 .1284 .5689 .3854 -.2676 79 GLY 79 -.4497 999.9900 999.9900 999.9900 -.3452 -.3974 .5136 .4688 .4887 .0469 80 LYS 80 -.7069 1.2989 999.9900 -.0770 -1.6664 -.2457 .4085 .3698 .3859 -.0643 81 TYR 81 .3271 .8258 999.9900 999.9900 .5127 .5552 -.4033 .6528 .2128 .3830 82 LEU 82 -.3571 -1.8410 999.9900 999.9900 -.9806 -1.0596 -.7005 .3785 -.0711 -.7002 83 GLN 83 -.2750 -.0698 999.9900 1.3059 -.0576 .2258 -1.3233 .2829 -.3863 -.0228 84 PHE 84 -.0168 .5589 999.9900 999.9900 -1.2178 -.2252 -.4750 .6715 .1938 -.0958 85 ILE 85 .1597 .6227 999.9900 999.9900 -1.0155 -.0777 -.7228 .2722 -.1424 -.1368 86 TYR 86 .0214 .4609 999.9900 999.9900 -.1498 .1108 .3125 .2105 .2530 .1711 87 ASP 87 .3371 -.5192 999.9900 999.9900 -2.2874 -.8232 .2213 .1685 .1905 -.4159 88 ARG 88 -2.9267 .7037 999.9900 .7862 -2.3710 -.6043 .6182 -.3874 .0316 -.3987 89 ASP 89 -3.3417 -.7325 999.9900 999.9900 -.1266 -1.4003 -.7989 -.5460 -.6514 -1.1091 90 ARG 90 -.6367 -2.8571 999.9900 .6901 -1.3564 -.6940 -.0123 .3081 .1746 -.4535 91 THR 91 .4909 999.9900 .6346 999.9900 .9813 .7023 .2838 .2858 .2850 .5353 92 PHE 92 -.0017 .5589 999.9900 999.9900 -1.2178 -.2202 .2810 .4786 .3962 .0198 93 TYR 93 .0500 .2322 999.9900 999.9900 -.4027 -.0401 .3417 .5108 .4403 .1464 94 VAL 94 .5332 999.9900 -.2457 999.9900 -1.0415 -.2514 .5092 .6561 .5949 .0822 95 ILE 95 .3543 -3.0500 999.9900 999.9900 .1689 -.8423 .0418 .2978 .1911 -.4374 96 ILE 96 -.4035 -.1544 999.9900 999.9900 -1.0155 -.5245 -.1213 .4975 .2396 -.2395 97 TYR 97 .0406 .8258 999.9900 999.9900 -1.9776 -.3704 -.1576 .4322 .1865 -.1673 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -.9224 -2.2044 -.0146 .4455 .2410 -.9945 99 HIS 99 -.9209 .5883 999.9900 999.9900 -1.6368 -.6565 .0673 .5630 .3564 -.2678 100 ASN 100 -.5865 -1.4522 999.9900 999.9900 .1585 -.6267 -.8641 .3516 -.1550 -.4785 101 MET 101 -.5881 -1.5870 999.9900 .9587 .7725 -.1110 -.3792 .3809 .0642 -.0737 102 CYS 102 999.9900 999.9900 1.2918 999.9900 999.9900 1.2918 .0071 .3589 .2081 .5526 Means: -.4557 -.3618 -.1237 .2154 -.2736 -.2808 -.0866 .3657 .1764 -.1186 2.00 refined_13