1 GLU 1 999.9900 -.2670 999.9900 -1.0323 -1.2865 -.8619 -.3298 .2651 -.0053 -.5301 2 ALA 2 -2.4409 999.9900 999.9900 999.9900 -.0434 -1.2422 -.0872 .3727 .1811 -.5497 3 GLU 3 -1.3743 -1.4588 999.9900 .3501 .6424 -.4601 -.5883 -.0090 -.2504 -.4063 4 VAL 4 -.3909 999.9900 .8662 999.9900 -.0858 .1298 -.7066 .5216 .0099 .0409 5 HIS 5 -1.0475 -1.1713 999.9900 999.9900 -.3908 -.8699 .1847 -.0265 .0615 -.4903 6 ASN 6 -.9320 -.0024 999.9900 999.9900 .9106 -.0079 .3662 .3666 .3665 .1418 7 GLN 7 -3.1236 .4956 999.9900 1.3059 -1.2230 -.6363 .0042 .3033 .1787 -.3729 8 LEU 8 -.0411 -1.4996 999.9900 999.9900 -.3982 -.6463 -.5611 .1726 -.1331 -.4655 9 GLU 9 -.5578 1.0525 999.9900 -1.0323 -.1867 -.1811 -1.4796 .5691 -.2845 -.2725 10 ILE 10 -.1366 .6227 999.9900 999.9900 -2.1444 -.5528 -.0755 .5989 .3179 -.2270 11 LYS 11 -.2345 -.0337 999.9900 1.1526 .0525 .4179 -.1537 .2261 .0679 .3089 12 PHE 12 -.0400 .6915 999.9900 999.9900 .1482 .2666 .3994 .6628 .5531 .3724 13 ARG 13 -.5160 .8024 999.9900 .9503 .7064 .5787 .0871 .5869 .3787 .5096 14 LEU 14 -.9403 -1.6805 999.9900 999.9900 .3346 -.7620 -.0697 .6002 .3211 -.3511 15 THR 15 .4802 999.9900 -.8810 999.9900 .2932 -.0359 .4797 .4117 .4401 .1568 16 ASP 16 .0771 -2.0001 999.9900 999.9900 .5431 -.4600 .6452 .6458 .6455 -.0178 17 GLY 17 1.0314 999.9900 999.9900 999.9900 .3466 .6890 -.2054 .6805 .2868 .4633 18 SER 18 -.1368 999.9900 -.7153 999.9900 .7151 -.0457 -.0551 .1687 .0755 -.0047 19 ASP 19 -.8891 -1.7735 999.9900 999.9900 .6310 -.6772 -.4272 .5167 .1234 -.3884 20 ILE 20 -.4035 .6227 999.9900 999.9900 .4912 .2368 .4823 .3328 .3951 .3051 21 GLY 21 -1.3026 999.9900 999.9900 999.9900 -.0631 -.6828 .5344 .3563 .4354 -.1187 22 PRO 22 .6201 999.9900 999.9900 999.9900 .6188 .6195 .2073 .2961 .2591 .4356 23 LYS 23 -.2799 1.2989 999.9900 .1731 .7669 .4264 -2.1288 .2987 -.7128 .0431 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .3365 -.3463 -.3650 .5908 .1926 -.1167 25 PHE 25 -.0168 .5589 999.9900 999.9900 -1.2178 -.2252 -.5604 .0131 -.2259 -.2446 26 PRO 26 .6201 999.9900 999.9900 999.9900 .8563 .7382 .0943 .5092 .3363 .5200 27 ASP 27 1.1285 -1.0518 999.9900 999.9900 .3772 .1513 .4284 .6317 .5470 .3028 28 ALA 28 -.6970 999.9900 999.9900 999.9900 .2671 -.2149 .5882 .6665 .6339 .2062 29 THR 29 .0286 999.9900 .9776 999.9900 .5490 .5184 .5148 .5290 .5231 .5198 30 THR 30 -.1761 999.9900 .7650 999.9900 .4476 .3455 .4851 .6718 .5940 .4387 31 VAL 31 -.2252 999.9900 .6672 999.9900 -.0858 .1187 .5605 .5506 .5547 .2935 32 SER 32 .9076 999.9900 .8786 999.9900 .1597 .6487 .2828 .5580 .4433 .5574 33 ALA 33 .2107 999.9900 999.9900 999.9900 -.6283 -.2088 .6497 .6799 .6673 .2280 34 LEU 34 .9913 .3419 999.9900 999.9900 .1315 .4882 .0267 .2232 .1413 .3429 35 LYS 35 1.2214 1.2989 999.9900 .6812 -2.0338 .3698 .3286 .5991 .4864 .3967 36 GLU 36 .8604 .6194 999.9900 1.1588 -.3984 .5600 .6388 .6536 .6475 .5888 37 THR 37 1.2375 999.9900 .9776 999.9900 .4476 .8875 .5889 .6100 .6013 .7723 38 VAL 38 .9834 999.9900 .7395 999.9900 .6959 .8063 .3099 .5499 .4499 .6557 39 ILE 39 .0556 .6227 999.9900 999.9900 -.1449 .1778 .1138 .6147 .4060 .2524 40 SER 40 .8760 999.9900 -.0289 999.9900 -.1819 .2217 .2884 .6557 .5026 .3218 41 GLU 41 -.6642 -.0067 999.9900 -1.0323 -.7952 -.6246 .2043 .5704 .4179 -.2873 42 TRP 42 .0851 -.4963 999.9900 999.9900 -1.6678 -.6930 .5385 .2879 .3923 -.2505 43 PRO 43 -3.3827 999.9900 999.9900 999.9900 -.4005 -1.8916 -.0646 .2482 .1178 -.8999 44 ARG 44 .2784 .3495 999.9900 .1593 .4407 .2775 .3494 .2685 .3022 .2864 45 GLU 45 -.3012 .7809 999.9900 -1.0323 .0339 -.1297 .3898 .3979 .3945 .0448 46 LYS 46 -.2345 .5334 999.9900 .2495 -.3378 .0920 -.0336 .5103 .2837 .1338 47 GLU 47 -1.6894 -.9977 999.9900 -1.0323 .4526 -.8167 -.1794 .4155 .1676 -.5051 48 ASN 48 -.5106 -1.5725 999.9900 999.9900 .9106 -.3909 -.1705 .4871 .2131 -.1712 49 GLY 49 -.1408 999.9900 999.9900 999.9900 -.2551 -.1980 -1.3643 .5124 -.3217 -.3120 50 PRO 50 -5.1268 999.9900 999.9900 999.9900 -.2912 -2.7090 .2782 -.7159 -.3017 -1.4639 51 LYS 51 -3.5196 .7020 999.9900 .7677 -1.4057 -.5376 .4049 .0178 .1791 -.3236 52 THR 52 -.4045 999.9900 .4804 999.9900 -.8522 -.2588 .1885 .3897 .3059 -.0396 53 VAL 53 .1911 999.9900 -1.0788 999.9900 -.2503 -.3793 -.1708 -.3305 -.2639 -.3278 54 LYS 54 .3654 -.2695 999.9900 .8261 -2.0338 -.0571 .5284 .6320 .5888 .1249 55 GLU 55 -.6726 -.1645 999.9900 -1.0323 .0814 -.4470 .3645 .5558 .4761 -.1446 56 VAL 56 .3116 999.9900 .7395 999.9900 -.3121 .2463 .6002 .6291 .6170 .3937 57 LYS 57 -.1765 -2.1617 999.9900 .4405 .5595 -.1795 .4378 .5766 .5188 .0167 58 LEU 58 .0762 -1.8410 999.9900 999.9900 .6258 -.3797 .1141 .5520 .3695 -.0946 59 ILE 59 .5210 -.5821 999.9900 999.9900 -.7199 -.2603 .0799 .4632 .3035 -.0476 60 SER 60 -.4961 999.9900 -.7153 999.9900 .5215 -.2300 .0905 .2735 .1973 -.0652 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .1657 -.7798 .4974 .5691 .5392 -.1232 62 GLY 62 1.1448 999.9900 999.9900 999.9900 .2296 .6872 .4066 .6521 .5430 .6083 63 LYS 63 -.1867 -.2695 999.9900 .2495 -.3378 -.0590 .3908 .6668 .5518 .1089 64 VAL 64 -.7565 999.9900 .1416 999.9900 .7394 .0415 .3801 .5276 .4661 .2065 65 LEU 65 -.4979 -1.1113 999.9900 999.9900 .6926 -.3056 .3807 .6009 .5092 .0130 66 GLU 66 -.4269 -.6022 999.9900 -1.0323 -.5746 -.6590 .5263 .5636 .5480 -.2577 67 ASN 67 .7786 1.0524 999.9900 999.9900 -.0278 .6011 .5257 .2485 .3640 .5155 68 SER 68 .7489 999.9900 -.7153 999.9900 -.1819 -.0495 -1.0647 .5786 -.1061 -.1269 69 LYS 69 -1.2016 1.1776 999.9900 .1731 .6576 .1959 -.9859 .4870 -.1267 .0687 70 THR 70 -.2569 999.9900 -.8810 999.9900 -.3332 -.4904 -.3567 .4200 .0963 -.2816 71 VAL 71 .5660 999.9900 .4980 999.9900 .6734 .5791 .4934 .3572 .4139 .5176 72 LYS 72 .7090 .8596 999.9900 -.4035 -.3378 .0847 .6668 -.1145 .2111 .1394 73 ASP 73 1.1285 -.7325 999.9900 999.9900 .4469 .2810 .4921 .6937 .6097 .4057 74 TYR 74 -.5197 .3565 999.9900 999.9900 .9193 .2520 .3431 .6325 .5119 .3464 75 ARG 75 -1.7561 -2.8571 999.9900 1.3169 -.0761 -.4111 -.1012 .3082 .1376 -.2641 76 SER 76 -.1428 999.9900 -.0289 999.9900 -.0193 -.0636 .1320 -.0074 .0507 -.0133 77 PRO 77 -1.7556 999.9900 999.9900 999.9900 -.0243 -.8900 .5339 .6688 .6126 -.1443 78 VAL 78 .3707 999.9900 -.5532 999.9900 -.3121 -.1649 -.1767 .5060 .2215 -.0331 79 SER 79 -2.2020 999.9900 -.0289 999.9900 -1.3611 -1.1973 .3649 .3968 .3835 -.5660 80 ASN 80 -3.4329 -1.4522 999.9900 999.9900 .1585 -1.5755 .0922 -.1620 -.0560 -.9593 81 LEU 81 -1.9234 .5563 999.9900 999.9900 .8331 -.1780 -1.7027 .5089 -.4126 -.3455 82 ALA 82 -1.8459 999.9900 999.9900 999.9900 .7458 -.5501 -.3601 .4611 .1190 -.2498 83 GLY 83 -2.1575 999.9900 999.9900 999.9900 .8897 -.6339 -.1300 .5396 .2420 -.2145 84 ALA 84 -.6057 999.9900 999.9900 999.9900 .8018 .0980 -.0106 .4796 .2753 .1662 85 VAL 85 -.4842 999.9900 -.0276 999.9900 -2.9040 -1.1386 -1.8803 .1624 -.6887 -1.0267 86 THR 86 .4548 999.9900 -.2947 999.9900 -.1184 .0139 -1.1981 -.0168 -.5090 -.2346 87 THR 87 .1734 999.9900 -.8810 999.9900 .8957 .0627 -.7434 .2020 -.1919 -.0707 88 MET 88 -.3657 .8830 999.9900 .9587 .4206 .4742 -1.0853 .3881 -.2258 .1999 89 HIS 89 -.4783 -1.1713 999.9900 999.9900 .3381 -.4372 -1.4647 .5517 -.2885 -.4449 90 VAL 90 .4158 999.9900 .2799 999.9900 .2505 .3154 -2.3132 .5384 -.6498 -.1657 91 ILE 91 -.3198 .6122 999.9900 999.9900 .2717 .1880 -1.9087 .2692 -.6383 -.2151 92 ILE 92 -.9289 -1.6252 999.9900 999.9900 -1.4322 -1.3287 -1.3476 .5011 -.2692 -.9665 93 GLN 93 -.7185 1.1250 999.9900 1.3059 -2.2865 -.1435 -1.3893 .2375 -.4403 -.2876 94 ALA 94 -.2213 999.9900 999.9900 999.9900 -1.8670 -1.0441 .3792 .6185 .5187 -.2727 95 PRO 95 -3.8843 999.9900 999.9900 999.9900 -.5244 -2.2043 .2511 .5509 .4260 -.9017 96 VAL 96 .1911 999.9900 .5873 999.9900 -.8010 -.0075 .6122 .5445 .5727 .2268 97 THR 97 -4.2065 999.9900 -.8810 999.9900 .5490 -1.5128 -.7530 .0836 -.2650 -1.0416 98 GLU 98 -3.2255 -2.8418 999.9900 1.7325 -2.5035 -1.7096 -.5269 -.8412 -.7102 -1.3677 99 LYS 99 -1.7210 .8596 999.9900 1.3578 .0060 .3721 -.6018 -.2408 -.3912 .1454 100 GLU 100 -2.2616 -.1645 999.9900 -1.0323 .7127 -.6864 -.1127 -.5948 -.3939 -.5755 101 LYS 101 999.9900 -.2695 999.9900 1.0942 999.9900 .6396 .3690 .5360 .4644 .5648 Means: -.5517 -.2409 .0329 .3848 -.0936 -.1828 -.0832 .3837 .1885 -.0544 2.00 refined_12