1 MET 1 999.9900 .5321 999.9900 .9587 .6113 .7007 -.0551 .5709 .2863 .5236 2 THR 2 .0164 999.9900 -.2947 999.9900 -1.1761 -.4848 -.6042 .3162 -.0673 -.3485 3 GLU 3 -.5790 .8034 999.9900 -1.0323 -.6780 -.3715 -.7162 .0809 -.2513 -.3536 4 VAL 4 -.0463 999.9900 .6672 999.9900 .7810 .4673 -.2792 .6407 .2574 .3527 5 TYR 5 .5758 -.5727 999.9900 999.9900 .6556 .2195 -.0703 .4882 .2555 .2153 6 ASP 6 -.6028 -.9533 999.9900 999.9900 .5431 -.3376 -1.9746 .5837 -.4823 -.4808 7 LEU 7 -.8032 .6236 999.9900 999.9900 -.9806 -.3867 -2.0692 .4434 -.6035 -.5572 8 GLU 8 -1.1136 .7809 999.9900 -1.0323 -1.0906 -.6139 -2.0149 .0704 -.7985 -.7333 9 ILE 9 .0718 -.0414 999.9900 999.9900 -.0740 -.0145 -.9255 .5582 -.0600 -.0822 10 THR 10 .1260 999.9900 -.8810 999.9900 -.0562 -.2704 -2.4698 .0245 -1.0148 -.6513 11 THR 11 -.8088 999.9900 -.2947 999.9900 .1092 -.3314 -1.1211 .4811 -.1865 -.3269 12 ASN 12 -.6931 -.2320 999.9900 999.9900 .1585 -.2555 .5436 .5668 .5571 .0687 13 ALA 13 -.2135 999.9900 999.9900 999.9900 .9520 .3692 .5251 .6819 .6166 .4864 14 THR 14 .4874 999.9900 .4804 999.9900 .5490 .5056 .0829 .6700 .4254 .4539 15 ASP 15 .2633 -1.3328 999.9900 999.9900 -.2530 -.4408 .2713 .6275 .4791 -.0847 16 PHE 16 -.8947 .1033 999.9900 999.9900 .7193 -.0240 .5471 .5767 .5644 .2103 17 PRO 17 .3744 999.9900 999.9900 999.9900 .5793 .4769 .4569 .5421 .5066 .4882 18 MET 18 -.1025 .4360 999.9900 .9587 .6950 .4968 .6094 .5188 .5566 .5192 19 GLU 19 -.3890 -.2011 999.9900 .3501 .6424 .1006 .2595 .3441 .3088 .1677 20 LYS 20 -.2345 1.1776 999.9900 .1731 -.1497 .2279 -2.0753 .6112 -.5082 -.0464 21 LYS 21 -.2858 -.3555 999.9900 -.4035 .0060 -.2885 .5456 .4736 .5036 -.0604 22 TYR 22 .3730 .3463 999.9900 999.9900 .5127 .4107 .5957 .3913 .4765 .4438 23 PRO 23 -.5949 999.9900 999.9900 999.9900 .2426 -.1761 .4783 .4647 .4704 .1477 24 ALA 24 .5364 999.9900 999.9900 999.9900 .2428 .3896 -.2942 .5965 .2254 .2704 25 GLY 25 -.0783 999.9900 999.9900 999.9900 .5429 .2323 .3001 .6869 .5150 .3629 26 MET 26 -1.4527 .5072 999.9900 1.7963 .3104 .2903 .0378 .5885 .3590 .2979 27 SER 27 -.5057 999.9900 .6576 999.9900 .0747 .0755 .0072 .4618 .2723 .1391 28 LEU 28 .8475 -2.7185 999.9900 999.9900 .0933 -.5926 .4495 .2199 .3155 -.2217 29 ASN 29 .9642 .4888 999.9900 999.9900 .3127 .5885 .3878 .4108 .4012 .5128 30 ASP 30 .9921 -1.1062 999.9900 999.9900 .4469 .1109 .5468 .6441 .6035 .3047 31 LEU 31 1.1349 -1.2835 999.9900 999.9900 -.4635 -.2041 .2471 .1458 .1880 -.0438 32 LYS 32 .2857 -2.1617 999.9900 -.4035 .5850 -.4196 -.7510 .5070 -.0172 -.3346 33 LYS 33 .9480 .4277 999.9900 .3240 -.5755 .2897 -.9467 .0267 -.3789 .0755 34 LYS 34 .6780 -1.1257 999.9900 .9398 -2.0338 -.1204 -.0013 .2407 .1399 -.0518 35 LEU 35 .6509 .5655 999.9900 999.9900 .0933 .4365 .3975 .5923 .5111 .4599 36 GLU 36 .8733 .2661 999.9900 .3501 -.1261 .3408 -.3564 .5391 .1659 .2577 37 LEU 37 .6509 .5315 999.9900 999.9900 .6926 .6250 .4389 .6543 .5646 .5936 38 VAL 38 -1.1682 999.9900 .4980 999.9900 .1378 -.1775 .5519 .6923 .6338 .1423 39 VAL 39 -1.2342 999.9900 -.0276 999.9900 .8778 -.1280 .2027 .6245 .4487 .0886 40 GLY 40 .9290 999.9900 999.9900 999.9900 .2782 .6036 .4983 .6754 .5967 .5953 41 THR 41 -3.2663 999.9900 .0483 999.9900 .6695 -.8495 -.1588 .4325 .1861 -.4550 42 THR 42 .2564 999.9900 -.8810 999.9900 -2.0584 -.8943 -.3180 .5012 .1599 -.5000 43 VAL 43 .7683 999.9900 .7395 999.9900 -.8010 .2356 .4002 .3444 .3677 .2903 44 ASP 44 1.3227 -1.3328 999.9900 999.9900 -1.3622 -.4574 .4651 .6391 .5666 -.0536 45 SER 45 .1178 999.9900 .3727 999.9900 -2.5979 -.7025 -1.3954 .0084 -.5765 -.6989 46 MET 46 -.9371 -1.5870 999.9900 .9587 -1.2625 -.7070 .4578 .0466 .2180 -.3872 47 ARG 47 -.6502 -2.3766 999.9900 .1593 .5247 -.4367 .6563 -.2255 .1419 -.2504 48 ILE 48 .2768 -.0177 999.9900 999.9900 .1689 .1426 .4454 .5606 .5126 .2868 49 GLN 49 -.4424 1.2376 999.9900 1.3059 .6605 .6904 .4509 .6529 .5688 .6442 50 LEU 50 -.0536 -1.4036 999.9900 999.9900 .4227 -.3448 .0000 .5769 .3366 -.0915 51 PHE 51 -.2986 -.8691 999.9900 999.9900 -.3041 -.4906 .4786 .5066 .4949 -.0973 52 ASP 52 -3.3417 -1.0518 999.9900 999.9900 -.4783 -1.6239 .4802 .1116 .2652 -.8560 53 GLY 53 -2.9723 999.9900 999.9900 999.9900 -1.1231 -2.0477 -2.3465 -.1981 -1.1529 -1.6600 54 ASP 54 -3.3417 -1.7105 999.9900 999.9900 .6026 -1.4832 -.0419 -.1490 -.1044 -.9281 55 ASP 55 -3.3417 -.2599 999.9900 999.9900 .8104 -.9304 .2658 -.6012 -.2399 -.6253 56 GLN 56 -2.2003 1.0195 999.9900 1.3059 .1963 .0804 .3352 .3102 .3207 .1611 57 LEU 57 -.3299 .5563 999.9900 999.9900 -1.2350 -.3362 .4659 .4976 .4844 -.0090 58 LYS 58 -.8267 1.1776 999.9900 .5368 .7872 .4424 .3668 .5220 .4573 .4429 59 GLY 59 .0644 999.9900 999.9900 999.9900 .8016 .4330 -.4114 .6579 .1826 .2781 60 GLU 60 -.7347 .7809 999.9900 -1.0323 .2101 -.1940 -.1577 .5357 .2468 -.0663 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 -.8739 -2.6734 -1.2668 -.8049 -.9974 -2.0184 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .9813 -1.3688 -.6352 -1.2977 -1.0217 -1.2078 63 ASP 63 -3.3417 -1.3328 999.9900 999.9900 -1.0225 -1.8990 .4069 .4861 .4531 -.9608 64 GLY 64 -.5009 999.9900 999.9900 999.9900 .8897 .1944 .3541 .1628 .2478 .2264 65 ALA 65 -1.1160 999.9900 999.9900 999.9900 .6390 -.2385 -.1162 .5229 .2566 -.0176 66 LYS 66 -.4760 -.7093 999.9900 -.0397 -2.6618 -.7853 -.0697 -1.4373 -.8675 -.7762 67 SER 67 .2494 999.9900 -.0289 999.9900 .3088 .1764 -1.6968 .5020 -.4142 -.1331 68 LEU 68 .8475 .9108 999.9900 999.9900 .3648 .7077 .1330 .2122 .1792 .4937 69 LYS 69 .0419 -1.8181 999.9900 .4778 .2547 -.1132 .4422 .1874 .2936 .0091 70 ASP 70 1.1285 -.2599 999.9900 999.9900 -.4783 .1301 .4226 .2010 .2934 .2028 71 LEU 71 -.2213 .8847 999.9900 999.9900 .7753 .4796 .3254 .5276 .4434 .4583 72 GLY 72 .8124 999.9900 999.9900 999.9900 .3466 .5795 .4263 .7023 .5796 .5719 73 VAL 73 -1.2071 999.9900 -.5532 999.9900 -.3121 -.6908 -.2162 .4944 .1983 -.3588 74 ARG 74 -1.7561 .1080 999.9900 .1593 .4837 -.1692 -.0684 .4515 .2349 -.0661 75 ASP 75 -.0277 -1.2611 999.9900 999.9900 .7118 -.1923 -1.1287 .4574 -.2035 -.2496 76 GLY 76 1.0023 999.9900 999.9900 999.9900 .4883 .7453 .3406 .6347 .5040 .6165 77 TYR 77 -.5197 -4.1972 999.9900 999.9900 .6556 -1.3538 .2421 .4257 .3492 -.6787 78 ARG 78 -.4439 -2.8571 999.9900 .1593 .5247 -.4915 -.3472 .0802 -.0979 -.3892 79 ILE 79 .1597 -.3653 999.9900 999.9900 .7045 .1663 -1.0034 .5808 -.0793 .0153 80 HIS 80 -.7615 .6357 999.9900 999.9900 .2322 .0355 -1.6450 .5610 -.3582 -.1955 81 ALA 81 -.7587 999.9900 999.9900 999.9900 .3801 -.1893 -.5925 .3210 -.0596 -.1625 82 VAL 82 -.4049 999.9900 -1.0788 999.9900 -.9137 -.7991 -.0369 .5386 .2988 -.3791 83 ASP 83 -.6293 -.2599 999.9900 999.9900 -2.9873 -1.2922 -2.9960 -.0227 -1.2615 -1.3790 84 VAL 84 -1.3532 999.9900 .2799 999.9900 -1.1891 -.7541 -.5434 .0582 -.1924 -.5495 85 THR 85 -.4891 999.9900 .2916 999.9900 .1092 -.0294 -.7938 .2779 -.1686 -.1208 86 GLY 86 -.9395 999.9900 999.9900 999.9900 -.3452 -.6423 -.8078 .1679 -.2657 -.4811 87 GLY 87 -1.1293 999.9900 999.9900 999.9900 .8897 -.1198 -2.1166 .6117 -.6008 -.4361 88 ASN 88 -.4582 -2.0766 999.9900 999.9900 -2.3288 -1.6212 -.1229 .5295 .2577 -.8914 89 GLU 89 -3.2255 .3642 999.9900 -1.0323 .3568 -.8842 .3808 -1.0834 -.4733 -.7066 90 ASP 90 999.9900 -1.4542 999.9900 999.9900 999.9900 -1.4542 .0096 -.6453 -.3646 -.6966 Means: -.4937 -.4806 -.0492 .2359 -.0404 -.2353 -.2196 .3246 .0964 -.1248 2.00 refined_12