1 MET 1 999.9900 .5321 999.9900 .9587 .4206 .6371 .1847 .6647 .4465 .5522 2 ALA 2 -1.7824 999.9900 999.9900 999.9900 .4419 -.6702 .0962 .6587 .4243 -.1464 3 ASP 3 -1.2415 -.4551 999.9900 999.9900 .3772 -.4398 -.1867 .4948 .2109 -.2022 4 THR 4 .7219 999.9900 .8779 999.9900 .2932 .6310 -1.1012 .5196 -.1557 .2623 5 GLY 5 -2.6716 999.9900 999.9900 999.9900 -.3938 -1.5327 -3.5703 .5948 -1.2564 -1.5102 6 GLU 6 -2.5676 .6046 999.9900 -1.0323 -1.2865 -1.0704 -2.4600 .4808 -.7446 -1.0435 7 VAL 7 .3372 999.9900 -.2457 999.9900 .1378 .0764 -1.7223 .1332 -.6400 -.2720 8 GLN 8 -.4190 .4898 999.9900 1.3059 .7486 .5313 -1.4225 .4724 -.3172 .1958 9 PHE 9 -.0559 .5902 999.9900 999.9900 .6382 .3908 .4095 .5482 .4904 .4260 10 MET 10 -.1902 -.2135 999.9900 .9587 -.1136 .1104 -.1829 .5978 .2725 .1427 11 LYS 11 -.3099 -.6131 999.9900 .8769 -1.6664 -.1671 .3290 .3783 .3578 -.0183 12 PRO 12 -.7236 999.9900 999.9900 999.9900 -.4005 -.5621 .0460 .5109 .3172 -.1418 13 PHE 13 .0900 -.4672 999.9900 999.9900 .2815 -.0319 -.1405 .0096 -.0529 -.0453 14 ILE 14 -.2299 .6227 999.9900 999.9900 -1.4322 -.3464 -.2925 -.1025 -.1817 -.2869 15 SER 15 .8349 999.9900 -.0289 999.9900 .3749 .3936 .5081 .5966 .5597 .4571 16 GLU 16 .8733 .7809 999.9900 -1.0323 .3899 .2529 .5329 .4181 .4659 .3271 17 LYS 17 -1.1367 1.2989 999.9900 .1731 .6340 .2285 .5966 .4758 .5261 .3164 18 SER 18 .4640 999.9900 -.0289 999.9900 -.0193 .1386 .5281 .6780 .6155 .3244 19 SER 19 1.0911 999.9900 .8786 999.9900 .3088 .7595 .3734 .5008 .4477 .6305 20 LYS 20 -2.2985 .1761 999.9900 1.6045 .4783 .3130 .6419 .2605 .4195 .3525 21 SER 21 -.6802 999.9900 -.7153 999.9900 .1597 -.4119 .3367 .4922 .4274 -.0814 22 LEU 22 -.1775 -1.8410 999.9900 999.9900 .9565 -.3540 -.1764 .3256 .1164 -.1826 23 GLU 23 -.5440 -.5578 999.9900 -1.0323 -.3984 -.6331 .1270 .6893 .4550 -.2861 24 ILE 24 .0718 -.0177 999.9900 999.9900 .5300 .1947 .4499 .5054 .4823 .3079 25 PRO 25 -.2296 999.9900 999.9900 999.9900 -.8366 -.5331 .5542 .5383 .5449 .0066 26 LEU 26 .8786 -1.2835 999.9900 999.9900 .4774 .0242 .1874 .3725 .2954 .1265 27 GLY 27 .9829 999.9900 999.9900 999.9900 .5943 .7886 .4155 .6841 .5647 .6692 28 PHE 28 -.0639 .5902 999.9900 999.9900 -.7419 -.0719 .2943 .5102 .4203 .1178 29 ASN 29 1.1117 -.5828 999.9900 999.9900 .7224 .4171 .5602 .2872 .4009 .4197 30 GLU 30 .4426 .7809 999.9900 -1.0323 .0339 .0563 -.0372 .4029 .2195 .0985 31 TYR 31 .3338 .7834 999.9900 999.9900 .4594 .5255 .3801 .1921 .2704 .4298 32 PHE 32 -1.4107 -.0709 999.9900 999.9900 -1.5955 -1.0257 .0219 -.0752 -.0347 -.6261 33 PRO 33 -.7236 999.9900 999.9900 999.9900 -.4005 -.5621 -1.5536 .2988 -.4730 -.5947 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.8670 -1.1303 .5251 .4095 .4577 -.3315 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.6674 -.0613 .3730 .4556 .4212 .1765 36 PHE 36 -.5560 -.0709 999.9900 999.9900 .0736 -.1844 -.1914 .5415 .2361 -.0406 37 PRO 37 -1.1449 999.9900 999.9900 999.9900 .2426 -.4511 -1.3544 .5972 -.2160 -.4149 38 ILE 38 -2.0621 -.0414 999.9900 999.9900 .5300 -.5245 .0566 .4893 .3090 -.2055 39 THR 39 .3976 999.9900 -.2947 999.9900 .7246 .2758 .0046 .6094 .3574 .2883 40 VAL 40 -.0145 999.9900 .8662 999.9900 .6503 .5007 .1801 .1604 .1686 .3685 41 ASP 41 -.5526 -2.0001 999.9900 999.9900 .5431 -.6699 -.3010 .4037 .1100 -.3814 42 LEU 42 -.0536 .8730 999.9900 999.9900 .1683 .3292 -.7571 .4126 -.0747 .1287 43 LEU 43 .0762 -2.1315 999.9900 999.9900 .7348 -.4402 -.3152 .6357 .2395 -.2000 44 ASP 44 -.5526 -.8657 999.9900 999.9900 -.3974 -.6052 .0048 .5047 .2964 -.2613 45 TYR 45 .0017 -.3906 999.9900 999.9900 .7784 .1299 .6126 .1797 .3601 .2364 46 SER 46 .0421 999.9900 -.0289 999.9900 .3088 .1074 .2970 .5206 .4275 .2279 47 GLY 47 -1.3026 999.9900 999.9900 999.9900 .2782 -.5122 .5689 .5153 .5391 .0150 48 ARG 48 -.5733 1.0858 999.9900 .1593 .2455 .2153 .4818 .5589 .5267 .3025 49 SER 49 -.2734 999.9900 -.0289 999.9900 .7982 .1653 .0779 .6427 .4074 .2433 50 TRP 50 -.3875 -.2441 999.9900 999.9900 -.9146 -.5154 -.0206 .5592 .3176 -.2015 51 THR 51 -1.0713 999.9900 -.8810 999.9900 -.0562 -.6695 -.0769 .5022 .2609 -.3166 52 VAL 52 -.8595 999.9900 -.0276 999.9900 .7394 -.0492 -.3079 .6071 .2258 .0303 53 ARG 53 -.5160 .7158 999.9900 .1593 -2.3710 -.3705 .2607 .1525 .1976 -.2056 54 MET 54 -.2651 -1.7864 999.9900 .9587 1.2917 .0497 .3896 .3490 .3659 .1562 55 LYS 55 -.2455 -1.5020 999.9900 -.0770 -2.6618 -.9127 .1223 .3741 .2692 -.5810 56 LYS 56 -1.0587 .5085 999.9900 .2495 -2.6618 -.5426 -6.1045 -.0895 -2.5958 -1.2724 57 ARG 57 -1.2588 .8164 999.9900 .1593 .5247 .0802 -.6397 .5010 .0257 .0375 58 GLY 58 -.5278 999.9900 999.9900 999.9900 .2296 -.1491 -.3314 .6756 .2281 .0115 59 GLU 59 -.6897 -1.6501 999.9900 -1.0323 -2.5035 -1.4689 .1621 .3085 .2475 -.9008 60 LYS 60 -.8956 -.0529 999.9900 .1731 .5595 -.0086 .6814 .5160 .5849 .1649 61 VAL 61 -.0463 999.9900 -1.0788 999.9900 -.4490 -.5247 .2225 .5621 .4206 -.1579 62 PHE 62 -.3916 .9147 999.9900 999.9900 -2.2412 -.5727 .1236 .5009 .3437 -.2187 63 LEU 63 -.7094 -1.9980 999.9900 999.9900 -3.2047 -1.9707 -.6143 -.3069 -.4350 -1.3667 64 THR 64 -4.2065 999.9900 .0483 999.9900 -1.3910 -1.8498 .0336 .3545 .2208 -1.0322 65 VAL 65 -.4485 999.9900 -1.0788 999.9900 -.8010 -.7761 -.1858 .3618 .1336 -.4305 66 GLY 66 -1.3851 999.9900 999.9900 999.9900 -.8367 -1.1109 -.3445 .5119 .1313 -.5136 67 TRP 67 .4280 .0052 999.9900 999.9900 .4467 .2933 .2669 .5200 .4145 .3334 68 GLU 68 .3258 -.2533 999.9900 -1.0323 .3899 -.1425 .1865 .4460 .3379 .0104 69 ASN 69 .9310 1.2520 999.9900 999.9900 .7518 .9783 -.6060 .6254 .1123 .5909 70 PHE 70 -.0803 -.1118 999.9900 999.9900 .1482 -.0147 .3303 .5732 .4720 .1719 71 VAL 71 .8065 999.9900 -.5532 999.9900 .7810 .3448 -.0019 .5886 .3426 .3242 72 LYS 72 .8536 .2165 999.9900 .3546 -1.0384 .1482 .6286 .3219 .4497 .2416 73 ASP 73 .2706 -.5059 999.9900 999.9900 .6310 .1319 .1372 .4109 .2969 .1888 74 ASN 74 -.1320 -1.4522 999.9900 999.9900 .9106 -.2246 .6616 .4984 .5664 .0973 75 ASN 75 -2.3558 .2165 999.9900 999.9900 -.5831 -.9075 .0270 -.0914 -.0420 -.5574 76 LEU 76 -.5127 -2.1315 999.9900 999.9900 -.4635 -1.0359 -1.5448 .0236 -.6299 -.9258 77 GLU 77 -2.1524 -.1645 999.9900 .3501 -.7952 -.6905 .0589 .4758 .3021 -.3712 78 ASP 78 -.9954 -1.4542 999.9900 999.9900 -.3974 -.9490 .0619 .5733 .3602 -.4424 79 GLY 79 -1.3026 999.9900 999.9900 999.9900 -1.2432 -1.2729 .5876 .6377 .6155 -.3301 80 LYS 80 -.2075 -1.4228 999.9900 .7677 .6805 .1171 .3352 .5342 .4513 .2079 81 TYR 81 .5758 .8258 999.9900 999.9900 .6984 .7000 -.3195 .4357 .1210 .4432 82 LEU 82 -.3075 .5402 999.9900 999.9900 -.7775 -.1816 -.0022 .5183 .3015 -.0057 83 GLN 83 -.1966 .5127 999.9900 1.3059 .6133 .5588 -.6751 .2944 -.1095 .3091 84 PHE 84 -.2255 .1033 999.9900 999.9900 -.3041 -.1421 -.9718 .6308 -.0369 -.1534 85 ILE 85 .1597 -3.0500 999.9900 999.9900 .5300 -.7868 -.5184 .3119 -.0341 -.5134 86 TYR 86 .4043 -.1547 999.9900 999.9900 -1.3683 -.3729 .6387 .4823 .5474 .0004 87 ASP 87 -3.3417 -.2224 999.9900 999.9900 .7866 -.9258 .2489 -.1410 .0215 -.5339 88 ARG 88 -2.9267 -1.1343 999.9900 .1593 -.7163 -.8917 .4849 .2239 .3327 -.5357 89 ASP 89 -2.8635 -1.4992 999.9900 999.9900 -.3974 -1.5867 .0399 .3415 .2158 -.8758 90 ARG 90 -2.0927 -2.8571 999.9900 .5548 -.0022 -.7685 .0386 .4443 .2753 -.4799 91 THR 91 .1937 999.9900 -.8810 999.9900 .6112 -.0254 .4371 .5421 .4984 .1806 92 PHE 92 -.2986 -2.2382 999.9900 999.9900 .8956 -.5471 -.1171 .4769 .2294 -.2563 93 TYR 93 -.0287 -.3337 999.9900 999.9900 -1.0119 -.4581 .3617 .5063 .4460 -.1013 94 VAL 94 .3372 999.9900 -.2457 999.9900 -1.3636 -.4240 .4903 .6502 .5836 -.0263 95 ILE 95 .5210 -2.2551 999.9900 999.9900 -1.0155 -.9165 .1353 .1115 .1214 -.5006 96 ILE 96 .2768 -3.0500 999.9900 999.9900 -2.1444 -1.6392 -.0511 .6166 .3384 -.8704 97 TYR 97 -.0287 .8492 999.9900 999.9900 .3421 .3875 .3612 .2114 .2738 .3470 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 -.0291 -1.7577 .6432 .6464 .6450 -.5565 99 HIS 99 -3.0884 .3416 999.9900 999.9900 .4328 -.7713 -.0710 -.0846 -.0789 -.4939 100 ASN 100 -3.4329 -1.4522 999.9900 999.9900 -.5831 -1.8227 .1160 -.3475 -.1544 -1.1399 101 MET 101 -.1559 -2.5481 999.9900 .9587 .0476 -.4244 -.8557 .1044 -.2956 -.4082 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 .4383 .5377 .4951 .3685 Means: -.5473 -.4362 -.1746 .2880 -.1779 -.2893 -.0941 .4053 .1963 -.1179 2.00 refined_3