1 MET 1 999.9900 .8879 999.9900 .9587 -1.9874 -.0469 .2184 .3606 .2960 .0876 2 THR 2 -1.7819 999.9900 -.8810 999.9900 -2.7258 -1.7962 -.4982 .1061 -.1457 -1.1562 3 GLU 3 -3.2255 .8332 999.9900 -1.0323 .0814 -.8358 -1.1357 -.0313 -.4914 -.7517 4 VAL 4 -.3288 999.9900 -.0276 999.9900 -.3121 -.2228 -1.2653 .5393 -.2126 -.2789 5 TYR 5 .5758 -.3119 999.9900 999.9900 -1.0119 -.2493 .0713 .4583 .2970 -.0437 6 ASP 6 .1056 -.3623 999.9900 999.9900 -1.3622 -.5397 -1.9542 .0310 -.7962 -.7084 7 LEU 7 -.6830 -1.4996 999.9900 999.9900 -.6894 -.9573 -.7970 .4242 -.0846 -.6489 8 GLU 8 -1.1136 .7809 999.9900 -1.0323 .0339 -.3328 -2.3356 .2416 -.8322 -.5708 9 ILE 9 .0718 -3.0500 999.9900 999.9900 .4912 -.8290 -1.7409 .3184 -.5396 -.7819 10 THR 10 .2564 999.9900 -.8810 999.9900 -1.1761 -.6003 -.7315 .2089 -.1829 -.4647 11 THR 11 .1631 999.9900 -.8810 999.9900 .7246 .0022 -3.5223 -.2576 -1.6179 -.7546 12 ASN 12 -.3482 -.3237 999.9900 999.9900 -.5831 -.4183 -.7208 -1.3196 -1.0701 -.6591 13 ALA 13 -1.5816 999.9900 999.9900 999.9900 .6227 -.4794 -.5612 .1844 -.1263 -.3339 14 THR 14 .4874 999.9900 .4804 999.9900 .1586 .3754 -.5681 .5897 .1073 .2296 15 ASP 15 -.2149 -.3515 999.9900 999.9900 .2628 -.1012 .4575 .5588 .5166 .1425 16 PHE 16 -.2560 .8308 999.9900 999.9900 .2172 .2640 .5372 .6364 .5950 .3931 17 PRO 17 -.2605 999.9900 999.9900 999.9900 -.4005 -.3305 -.0418 .6142 .3409 -.0221 18 MET 18 -.3503 .4901 999.9900 .9587 .0476 .2865 -.3256 .6306 .2322 .2419 19 GLU 19 -.5863 -.3402 999.9900 -1.0323 1.0761 -.2207 -.0472 .6315 .3487 -.0497 20 LYS 20 -.2978 -.3256 999.9900 .5761 .7460 .2549 -.1734 .5877 .2706 .2413 21 LYS 21 -.2858 .7114 999.9900 -.0397 .2547 .1202 .1992 .5243 .3889 .1892 22 TYR 22 .2568 .8376 999.9900 999.9900 .4027 .4990 .4285 .4924 .4658 .4836 23 PRO 23 .6201 999.9900 999.9900 999.9900 .6931 .6566 .4926 .5614 .5327 .5918 24 ALA 24 .3573 999.9900 999.9900 999.9900 .7881 .5727 .2016 .6318 .4526 .4947 25 GLY 25 -.0783 999.9900 999.9900 999.9900 .8016 .3617 .5142 .6174 .5715 .4637 26 MET 26 -.4490 -.1672 999.9900 .9587 .7725 .2787 .1178 .6227 .4123 .3093 27 SER 27 .1980 999.9900 -.0289 999.9900 -.0193 .0499 -.2718 .6021 .2380 .0960 28 LEU 28 .8475 .3261 999.9900 999.9900 -.2242 .3165 -.1519 .4944 .2251 .2584 29 ASN 29 1.1678 1.2520 999.9900 999.9900 -.1777 .7474 .5057 .3322 .4045 .6160 30 ASP 30 .9343 -.7325 999.9900 999.9900 .8104 .3374 .3528 .3882 .3734 .3506 31 LEU 31 .9913 -1.4036 999.9900 999.9900 -.0308 -.1477 .5089 .2324 .3476 .0596 32 LYS 32 .9451 1.1488 999.9900 -.0397 .5595 .5148 -.7163 .3500 -.0943 .3154 33 LYS 33 .7090 .4277 999.9900 .4996 -.0430 .4186 -.9965 .1093 -.3515 .1722 34 LYS 34 1.2214 -1.0359 999.9900 -.4035 -.2082 -.1659 .6272 .3912 .4895 .0270 35 LEU 35 1.1349 .8847 999.9900 999.9900 .4774 .8323 -.3279 .4987 .1543 .5336 36 GLU 36 .8733 .2661 999.9900 -1.0323 -.4821 -.0938 -.5750 .2519 -.0926 -.1163 37 LEU 37 .8475 .5315 999.9900 999.9900 .7348 .7046 .4720 .6277 .5628 .6427 38 VAL 38 -1.1682 999.9900 .3968 999.9900 -1.0415 -.6043 .4932 .6079 .5601 -.1424 39 VAL 39 -.6856 999.9900 .4980 999.9900 .1768 -.0036 .2652 .6221 .4734 .1753 40 GLY 40 1.0023 999.9900 999.9900 999.9900 -.0291 .4866 .1582 .6978 .4580 .4573 41 THR 41 -1.3548 999.9900 .6346 999.9900 .1092 -.2037 .1815 -.0737 .0326 -.1006 42 THR 42 -.4249 999.9900 .4804 999.9900 -2.0584 -.6676 .4735 .6418 .5717 -.1775 43 VAL 43 .1911 999.9900 -.0276 999.9900 .7810 .3149 .0589 .4739 .3010 .2955 44 ASP 44 .9921 -.2599 999.9900 999.9900 .6310 .4544 .4348 .6877 .5823 .4971 45 SER 45 .1093 999.9900 -.0289 999.9900 .6235 .2347 -.7687 .2633 -.1667 .0397 46 MET 46 -.3063 -1.5870 999.9900 .9587 -1.9874 -.7305 -.0106 .0573 .0290 -.4792 47 ARG 47 -.0990 .7158 999.9900 .6901 -1.3564 .1281 .5154 -.1131 .1488 .1490 48 ILE 48 .3059 .6122 999.9900 999.9900 -2.1444 -.4088 .4417 .4448 .4435 -.0680 49 GLN 49 -.2750 1.2376 999.9900 1.3059 .5636 .7080 -.3049 .2912 .0428 .4697 50 LEU 50 .1006 -1.4036 999.9900 999.9900 .3942 -.3030 .0090 .4778 .2825 -.0844 51 PHE 51 .0900 .5589 999.9900 999.9900 .2172 .2887 .2719 .3507 .3178 .2977 52 ASP 52 -1.2415 -1.0518 999.9900 999.9900 .6856 -.5359 .4295 .5070 .4747 -.1342 53 GLY 53 .9367 999.9900 999.9900 999.9900 .5943 .7655 .6298 .5467 .5836 .6769 54 ASP 54 -2.3854 -.3515 999.9900 999.9900 -1.8780 -1.5383 .2658 .1668 .2080 -.8364 55 ASP 55 -3.3417 -.7325 999.9900 999.9900 .9215 -1.0509 .3813 -.5394 -.1558 -.6622 56 GLN 56 -3.1236 .2375 999.9900 1.3059 .6605 -.2299 -.1087 -.1903 -.1563 -.2031 57 LEU 57 -.6514 .5315 999.9900 999.9900 .4227 .1009 .5566 .6317 .6004 .2982 58 LYS 58 -.2512 .1621 999.9900 .3240 .5062 .2131 -.5162 .3580 -.0062 .1296 59 GLY 59 -.5999 999.9900 999.9900 999.9900 .2296 -.1851 -1.9482 .5909 -.5376 -.4319 60 GLU 60 -.7635 .7809 999.9900 -1.0323 .1264 -.2221 -.3719 .3875 .0710 -.1455 61 LEU 61 -3.7702 -3.3760 999.9900 999.9900 -.7775 -2.6412 -1.0457 -1.0070 -1.0231 -1.9953 62 THR 62 -4.2065 999.9900 -.8810 999.9900 .9813 -1.3688 -.7663 -1.7153 -1.3199 -1.3176 63 ASP 63 -3.3417 -1.3328 999.9900 999.9900 .8336 -1.2803 .3947 .4563 .4306 -.5980 64 GLY 64 .5072 999.9900 999.9900 999.9900 -.5578 -.0253 .5598 .3983 .4701 .2269 65 ALA 65 -.6970 999.9900 999.9900 999.9900 .8152 .0591 -.0005 .5597 .3263 .1694 66 LYS 66 -1.7210 -.3555 999.9900 .3240 -1.0384 -.4934 -.1028 .2076 .0783 -.3374 67 SER 67 .0135 999.9900 -.0289 999.9900 .6705 .2184 -1.1352 .4643 -.2022 -.0032 68 LEU 68 .8475 .8730 999.9900 999.9900 -.3982 .4408 .4074 .4453 .4295 .4350 69 LYS 69 .8536 -2.9005 999.9900 .7677 -.4103 -.1844 .1534 .3751 .2827 -.0562 70 ASP 70 .9343 -1.2611 999.9900 999.9900 .5121 .0618 .6035 .5412 .5671 .2660 71 LEU 71 -.2213 .9108 999.9900 999.9900 .9565 .5487 .3874 .5428 .4780 .5152 72 GLY 72 .7683 999.9900 999.9900 999.9900 -.2133 .2775 .2528 .6911 .4963 .3747 73 VAL 73 -.2674 999.9900 .3968 999.9900 -.7002 -.1903 -.1001 .3444 .1592 -.0653 74 ARG 74 -2.5097 .0264 999.9900 .1593 .0662 -.4197 .5269 .6458 .5962 -.1323 75 ASP 75 -.0277 -1.1646 999.9900 999.9900 .8336 -.1195 -1.9854 .5845 -.4863 -.3519 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .5943 .8128 .2108 .4517 .3446 .5720 77 TYR 77 -.5773 -.4024 999.9900 999.9900 .2066 -.2577 .4155 .6005 .5234 .0486 78 ARG 78 -.5383 -.1448 999.9900 .1593 .4407 .0153 -.8881 -.1436 -.4538 -.1365 79 ILE 79 .1597 -.0177 999.9900 999.9900 .5300 .2240 -1.4872 .4409 -.3625 -.0749 80 HIS 80 -.5132 .8055 999.9900 999.9900 .5185 .2703 -.6398 .5883 .0766 .1519 81 ALA 81 -.7587 999.9900 999.9900 999.9900 .4419 -.1584 -1.1612 .5415 -.1680 -.2341 82 VAL 82 -.4049 999.9900 -1.0788 999.9900 .3827 -.3670 -.9609 .5116 -.1019 -.3100 83 ASP 83 -.3819 -.9304 999.9900 999.9900 .1337 -.3929 -.9561 .4702 -.1241 -.3329 84 VAL 84 -1.5335 999.9900 -1.0788 999.9900 -.8010 -1.1378 .4753 .6704 .5891 -.4535 85 THR 85 -.3748 999.9900 .4804 999.9900 .2932 .1329 .1100 .5593 .3721 .2136 86 GLY 86 -.3460 999.9900 999.9900 999.9900 -.6865 -.5162 .2053 .6341 .4436 -.0483 87 GLY 87 -.1827 999.9900 999.9900 999.9900 -.6865 -.4346 -.0811 .3316 .1482 -.1547 88 ASN 88 .0096 .4487 999.9900 999.9900 .9106 .4563 .4488 .1911 .2985 .4018 89 GLU 89 -3.2255 .8793 999.9900 -1.0323 .2865 -.7730 .0167 -.0651 -.0310 -.5234 90 ASP 90 999.9900 -.3515 999.9900 999.9900 999.9900 -.3515 .3667 .5336 .4621 .1829 Means: -.3693 -.1498 -.1365 .1849 .0068 -.1280 -.2077 .3371 .1087 -.0507 2.00 refined_10