1 GLU 1 999.9900 .6194 999.9900 -1.0323 1.0761 .2211 .5257 .6863 .6133 .3750 2 ALA 2 -2.2093 999.9900 999.9900 999.9900 .4012 -.9040 .6339 .5712 .5973 -.1507 3 GLU 3 -3.2255 .7809 999.9900 -1.0323 .0339 -.8608 -.1613 .0747 -.0236 -.5883 4 VAL 4 .3372 999.9900 .8662 999.9900 .1378 .4470 -.9461 .5807 -.0555 .1952 5 HIS 5 -.7615 .9162 999.9900 999.9900 .5967 .2505 -.0365 .3181 .1703 .2066 6 ASN 6 -.3194 -1.7113 999.9900 999.9900 -.0996 -.7101 -.2245 .2314 .0414 -.4247 7 GLN 7 -3.1236 -.6527 999.9900 1.3059 .6605 -.4525 .0195 .1831 .1149 -.2679 8 LEU 8 -.1775 -1.9980 999.9900 999.9900 -1.3910 -1.1888 -1.8721 -.2032 -.8986 -1.1284 9 GLU 9 -.4325 1.0525 999.9900 -1.0323 -.1867 -.1498 -1.8806 .6236 -.4198 -.3093 10 ILE 10 .1962 .6227 999.9900 999.9900 -.7199 .0330 -.5175 .6005 .1347 .0364 11 LYS 11 -.3038 -.0337 999.9900 .5368 -.8987 -.0325 -.6396 .2773 -.1048 -.0750 12 PHE 12 -.2255 .9147 999.9900 999.9900 -.7419 -.0176 -.0975 .5373 .2728 .0774 13 ARG 13 -.6502 .5439 999.9900 .1593 .5640 .1553 -.2198 .0962 -.0355 .0932 14 LEU 14 -.4282 -1.6805 999.9900 999.9900 .4774 -.5437 .0374 .3828 .2389 -.2422 15 THR 15 -.1166 999.9900 -.8810 999.9900 .4476 -.1833 .2749 .3680 .3292 .0186 16 ASP 16 .0771 -.4551 999.9900 999.9900 -2.2874 -.8885 .4107 .3487 .3746 -.3812 17 GLY 17 .6263 999.9900 999.9900 999.9900 .2782 .4523 -.3753 .5454 .1362 .2687 18 SER 18 -.3889 999.9900 -.7153 999.9900 .6235 -.1602 .5519 .3816 .4526 .0906 19 ASP 19 -.8891 -2.0928 999.9900 999.9900 -.1266 -1.0362 -.6535 .2659 -.1172 -.6992 20 ILE 20 -.4035 .6227 999.9900 999.9900 .2717 .1637 .2931 -.0389 .0994 .1490 21 GLY 21 -.7504 999.9900 999.9900 999.9900 .4303 -.1601 .5864 .4950 .5356 .1903 22 PRO 22 .6201 999.9900 999.9900 999.9900 .5793 .5997 -.2222 .2573 .0575 .3086 23 LYS 23 -.2345 -2.9005 999.9900 .8416 -.1497 -.3203 -.1309 -.7620 -.4990 -.3564 24 ALA 24 -1.0292 999.9900 999.9900 999.9900 .6708 -.1792 .3632 .6581 .5352 .1657 25 PHE 25 -.2255 .5589 999.9900 999.9900 -.3041 .0098 -.0614 .5407 .2898 .1017 26 PRO 26 .5449 999.9900 999.9900 999.9900 .4021 .4735 .5043 .4916 .4969 .4857 27 ASP 27 .8349 -1.0518 999.9900 999.9900 .4469 .0767 .3948 .6419 .5390 .2533 28 ALA 28 -.4579 999.9900 999.9900 999.9900 .9520 .2471 .5416 .6835 .6243 .4298 29 THR 29 .0286 999.9900 .7650 999.9900 .7246 .5061 .3911 .5099 .4604 .4838 30 THR 30 -.1761 999.9900 .2916 999.9900 -1.6680 -.5175 .4302 .6430 .5543 -.0959 31 VAL 31 -.2252 999.9900 .5873 999.9900 -.3781 -.0053 .5785 .4410 .4983 .2007 32 SER 32 .9076 999.9900 .6576 999.9900 .6705 .7452 .3211 .4699 .4079 .6053 33 ALA 33 .2107 999.9900 999.9900 999.9900 .0212 .1160 .5802 .6520 .6221 .3660 34 LEU 34 1.1349 .5315 999.9900 999.9900 -1.0998 .1889 -.4742 .2271 -.0651 .0639 35 LYS 35 .6780 -1.5020 999.9900 -.4035 .1791 -.2904 .4552 -.2643 .0355 -.1802 36 GLU 36 .8604 .4305 999.9900 -1.0323 .4526 .1778 .6074 .6523 .6336 .3285 37 THR 37 1.2375 999.9900 .2916 999.9900 .8957 .8082 .5615 .6135 .5918 .7199 38 VAL 38 .9834 999.9900 -.2457 999.9900 .6734 .4704 .5686 .6268 .6025 .5213 39 ILE 39 .0556 .8778 999.9900 999.9900 .3195 .4176 .3216 .4805 .4143 .4110 40 SER 40 .8760 999.9900 -.7153 999.9900 -.3096 -.0497 .5041 .6853 .6098 .2081 41 GLU 41 .1025 .6687 999.9900 -1.0323 -.6780 -.2348 .2461 .4744 .3793 -.0364 42 TRP 42 .0851 .2071 999.9900 999.9900 .7198 .3373 .5365 .3680 .4382 .3833 43 PRO 43 -.7236 999.9900 999.9900 999.9900 .7618 .0191 .6627 .4413 .5335 .2856 44 ARG 44 .3315 -.0184 999.9900 .7862 -.1565 .3458 .4662 .5219 .4987 .3881 45 GLU 45 -.3012 .6046 999.9900 -1.0323 -.6780 -.3517 .5887 .4159 .4879 -.0670 46 LYS 46 -1.1163 -2.1617 999.9900 .2868 .5595 -.4290 .2223 .5837 .4331 -.1913 47 GLU 47 -.2789 .4305 999.9900 .3501 .0339 .1339 -.4666 .4057 .0422 .0791 48 ASN 48 -2.5793 .7281 999.9900 999.9900 .4442 -.4690 -.7172 .0318 -.2803 -.4185 49 GLY 49 -.2363 999.9900 999.9900 999.9900 .5943 .1790 -.7700 .4938 -.0679 .0204 50 PRO 50 -5.1268 999.9900 999.9900 999.9900 .2426 -2.4421 -3.4693 -.2221 -1.5751 -2.1439 51 LYS 51 .0670 -2.9005 999.9900 -.4035 -1.4057 -1.0093 .0011 .0901 .0530 -.7079 52 THR 52 -.1311 999.9900 .2916 999.9900 -.8522 -.2305 .3673 -.0424 .1283 -.0733 53 VAL 53 .1911 999.9900 -1.0788 999.9900 -.8010 -.5629 .1976 -.2936 -.0889 -.3569 54 LYS 54 -.0075 .8340 999.9900 .6177 -.6710 .2782 .4703 .6450 .5722 .3580 55 GLU 55 -.4382 .0644 999.9900 -1.0323 -.6780 -.5210 .4059 .3562 .3769 -.2203 56 VAL 56 .4077 999.9900 .2799 999.9900 -1.3636 -.2254 .3581 .6458 .5260 .0656 57 LYS 57 -.2512 1.1776 999.9900 .9587 .0525 .5793 -.0665 .5061 .2675 .4766 58 LEU 58 .1006 -2.1315 999.9900 999.9900 .3942 -.5456 -.0403 .6063 .3369 -.2142 59 ILE 59 .5210 .6122 999.9900 999.9900 .4912 .5415 -.0194 .6170 .3519 .4444 60 SER 60 -.7578 999.9900 .6576 999.9900 .9098 .2699 .1149 .5046 .3422 .2858 61 ALA 61 -1.7252 999.9900 999.9900 999.9900 .8152 -.4550 .4359 .4231 .4284 -.0127 62 GLY 62 .8124 999.9900 999.9900 999.9900 .5943 .7033 .3946 .6707 .5480 .6180 63 LYS 63 -.3099 -2.9005 999.9900 -.0770 .1791 -.6371 .0202 .1540 .0982 -.4302 64 VAL 64 -.1473 999.9900 -1.0788 999.9900 .8960 -.1100 -.1186 .6204 .3125 .0344 65 LEU 65 .0762 -3.3760 999.9900 999.9900 -.9806 -1.4268 -.0534 .3103 .1587 -.8047 66 GLU 66 -.9196 -2.1111 999.9900 -1.0323 -2.5035 -1.6416 .2624 .1216 .1803 -1.0304 67 ASN 67 .1528 -2.0766 999.9900 999.9900 -1.3432 -1.0890 -.0480 .1002 .0385 -.6430 68 SER 68 1.0911 999.9900 -.0289 999.9900 .0747 .3790 -1.1347 .4867 -.1889 .0978 69 LYS 69 -1.2016 -.3555 999.9900 .4411 .7460 .0142 -.0116 .5084 .2917 .0811 70 THR 70 -.6608 999.9900 -.8810 999.9900 -1.0006 -.8475 .0609 .3549 .2324 -.4253 71 VAL 71 -.2252 999.9900 .8055 999.9900 .0545 .2116 .5173 .4397 .4720 .3183 72 LYS 72 .7090 .8340 999.9900 1.0942 .5850 .8633 .4985 .2844 .3736 .7285 73 ASP 73 1.1285 -.4551 999.9900 999.9900 .5733 .4156 .5685 .6600 .6219 .4951 74 TYR 74 -.4658 .8376 999.9900 999.9900 .5630 .3116 .5631 .5054 .5294 .4006 75 ARG 75 -.6782 -.2334 999.9900 .1593 -.2445 -.1675 -1.0295 .6087 -.0738 -.1797 76 SER 76 .0135 999.9900 .3727 999.9900 .1597 .1820 -.1345 -.3866 -.2816 .0050 77 PRO 77 -1.7556 999.9900 999.9900 999.9900 .4496 -.6530 .6575 .5915 .6190 -.0143 78 VAL 78 -.6460 999.9900 -.2457 999.9900 .1378 -.2513 -.3769 .4972 .1330 -.1267 79 SER 79 -1.7311 999.9900 .3727 999.9900 .8922 -.1554 -.2840 .5504 .2027 -.0400 80 ASN 80 -.7402 .3924 999.9900 999.9900 .9106 .1876 .1590 .5825 .4060 .2608 81 LEU 81 -1.7747 .8730 999.9900 999.9900 .6258 -.0920 -1.5066 .2231 -.4976 -.3119 82 ALA 82 -1.7824 999.9900 999.9900 999.9900 -1.4870 -1.6347 -.9007 .4523 -.1115 -.9295 83 GLY 83 -2.0431 999.9900 999.9900 999.9900 -.5578 -1.3004 -.2400 .3753 .1018 -.6164 84 ALA 84 -.8393 999.9900 999.9900 999.9900 .7881 -.0256 -.4616 .6687 .1977 .0390 85 VAL 85 .3116 999.9900 .8662 999.9900 .3827 .5202 -1.4719 .6067 -.2594 .1390 86 THR 86 .2423 999.9900 1.1473 999.9900 .7246 .7047 -.2516 .2591 .0463 .4244 87 THR 87 .0164 999.9900 -.8810 999.9900 .0572 -.2692 -.0620 .5142 .2741 -.0710 88 MET 88 -.3657 -.1672 999.9900 .9587 .7725 .2996 .1434 .5355 .3721 .3129 89 HIS 89 -.5132 .0958 999.9900 999.9900 .7352 .1059 .1137 .6176 .4077 .2098 90 VAL 90 -.0288 999.9900 -.2457 999.9900 .2144 -.0200 -1.1644 .3470 -.2828 -.1755 91 ILE 91 .1597 -.3653 999.9900 999.9900 .2717 .0221 -.8135 .2046 -.2196 -.1086 92 ILE 92 -.0022 -2.2551 999.9900 999.9900 -.7199 -.9924 -.3630 .6236 .2125 -.5433 93 GLN 93 -.7185 .4956 999.9900 1.3059 .1963 .3198 -.3453 .4162 .0989 .2250 94 ALA 94 -.7688 999.9900 999.9900 999.9900 .0817 -.3435 .5129 .6171 .5737 .1107 95 PRO 95 .4011 999.9900 999.9900 999.9900 .5793 .4902 .4941 .4583 .4732 .4832 96 VAL 96 .5660 999.9900 -.5532 999.9900 .5258 .1795 .0757 .5750 .3670 .2379 97 THR 97 .1314 999.9900 -.8810 999.9900 .7246 -.0083 .0261 .4935 .2987 .0989 98 GLU 98 -3.2255 .6653 999.9900 -1.0323 .2491 -.8359 .5798 .5298 .5507 -.3723 99 LYS 99 -3.5196 .8340 999.9900 .4996 .8827 -.1607 .4863 .3037 .3798 -.0019 100 GLU 100 -3.2255 -1.4588 999.9900 -1.0323 -.6780 -1.5986 -.4441 -.1799 -.2900 -1.1698 101 LYS 101 999.9900 -.2695 999.9900 .3546 999.9900 .1466 .1777 .2351 .2105 .1705 Means: -.4130 -.3361 -.0066 .1205 .0647 -.1470 -.0344 .3914 .2134 -.0219 2.00 refined_15