1 MET 1 999.9900 -2.5481 999.9900 .9587 .6113 -.3261 .3622 .5207 .4486 -.0191 2 ALA 2 -.5338 999.9900 999.9900 999.9900 .6708 .0685 -.1025 .6851 .3569 .1799 3 ASP 3 -1.2415 -1.1062 999.9900 999.9900 -.1878 -.8451 .1247 .4739 .3284 -.3874 4 THR 4 -.1023 999.9900 .2916 999.9900 .0572 .0822 .3955 .5261 .4717 .2336 5 GLY 5 1.0314 999.9900 999.9900 999.9900 .8277 .9295 -1.4177 .3695 -.4248 .2027 6 GLU 6 -.8477 .6046 999.9900 -1.0323 .6424 -.1582 -.5313 .5480 .0983 -.1027 7 VAL 7 -.0951 999.9900 -.5532 999.9900 .4989 -.0498 -.7111 .5046 -.0019 -.0712 8 GLN 8 -.3746 1.1250 999.9900 1.3059 .3348 .5978 -1.2937 .5492 -.2187 .2744 9 PHE 9 .1414 .5902 999.9900 999.9900 .4513 .3943 .3651 .5888 .4956 .4274 10 MET 10 -.1025 .8879 999.9900 .9587 -.3043 .3600 .3433 .5291 .4517 .3854 11 LYS 11 -.6340 .7020 999.9900 .8043 -1.4057 .0542 .6562 .3602 .4835 .1839 12 PRO 12 .3744 999.9900 999.9900 999.9900 .4496 .4120 -.0253 .4757 .2670 .3186 13 PHE 13 -.0803 -.1636 999.9900 999.9900 -.0075 -.0838 .5485 .3726 .4459 .1340 14 ILE 14 .3408 .6227 999.9900 999.9900 -.7199 .0812 .5071 .4969 .5012 .2495 15 SER 15 .8760 999.9900 -.7153 999.9900 -.2435 -.0276 -.3149 .5177 .1708 .0240 16 GLU 16 .1025 .8332 999.9900 -1.0323 -.5746 -.1678 .3941 .4521 .4279 .0292 17 LYS 17 -2.0221 -.2970 999.9900 .9587 -1.2036 -.3211 .3390 .4080 .3792 -.1226 18 SER 18 -.5255 999.9900 .3727 999.9900 .1597 .0023 .4209 .5506 .4965 .1957 19 SER 19 .7489 999.9900 -.7153 999.9900 -.5437 -.1700 .4881 .6500 .5825 .1256 20 LYS 20 -3.5196 -.2695 999.9900 -.0770 .0525 -.7781 .4688 .5378 .5090 -.4120 21 SER 21 .0742 999.9900 -.0289 999.9900 .5740 .2064 .0979 .5355 .3531 .2505 22 LEU 22 -.0792 -2.3037 999.9900 999.9900 .4774 -.6352 -.9063 -.1967 -.4924 -.6017 23 GLU 23 -.6163 -.6022 999.9900 1.1588 -.4821 -.1354 -.0360 .3897 .2124 -.0313 24 ILE 24 -.1621 -.0177 999.9900 999.9900 .1133 -.0222 .4514 .4874 .4724 .1744 25 PRO 25 .6201 999.9900 999.9900 999.9900 -1.6867 -.5333 .5334 .4774 .5008 -.0139 26 LEU 26 .8786 -1.2835 999.9900 999.9900 .7949 .1300 .2229 .2684 .2494 .1763 27 GLY 27 .9829 999.9900 999.9900 999.9900 .4883 .7356 .5193 .6718 .6040 .6656 28 PHE 28 -.0970 .5389 999.9900 999.9900 -.5721 -.0434 .4116 .5267 .4787 .1616 29 ASN 29 1.1678 -1.2512 999.9900 999.9900 -.3577 -.1470 .5064 .5426 .5275 .1216 30 GLU 30 -.3012 .4305 999.9900 -1.0323 .0339 -.2173 .4479 .6884 .5882 .0445 31 TYR 31 .6431 .4960 999.9900 999.9900 .0463 .3951 .2691 .4936 .4001 .3896 32 PHE 32 -3.6149 -.9508 999.9900 999.9900 -1.5955 -2.0537 -.0635 .2598 .1251 -1.1930 33 PRO 33 -.2605 999.9900 999.9900 999.9900 .8563 .2979 -.5097 .4060 .0245 .1230 34 ALA 34 -.3936 999.9900 999.9900 999.9900 -1.1070 -.7503 .3505 .4782 .4250 -.1680 35 PRO 35 .5449 999.9900 999.9900 999.9900 -.4005 .0722 .5420 .5227 .5307 .3023 36 PHE 36 -.8715 -.6160 999.9900 999.9900 -.5721 -.6865 -.1131 .4776 .2315 -.3390 37 PRO 37 -1.9661 999.9900 999.9900 999.9900 -.1935 -1.0798 .1069 .5153 .3452 -.3843 38 ILE 38 .7958 -.0177 999.9900 999.9900 -.7199 .0194 .5748 .6499 .6186 .2566 39 THR 39 .3976 999.9900 .2916 999.9900 .4476 .3789 .0134 .6327 .3747 .3566 40 VAL 40 -.0582 999.9900 .1416 999.9900 -.0858 -.0008 .1828 .3741 .2944 .1109 41 ASP 41 -.4836 -2.4630 999.9900 999.9900 -.1878 -1.0448 .2606 .6291 .4756 -.4489 42 LEU 42 -.0536 -1.1684 999.9900 999.9900 .3346 -.2958 -.2086 .4007 .1468 -.1390 43 LEU 43 -.1897 -1.6462 999.9900 999.9900 -1.5756 -1.1372 .1026 .5202 .3462 -.5577 44 ASP 44 -.6569 -1.3328 999.9900 999.9900 -.1266 -.7054 .2197 .4497 .3538 -.2894 45 TYR 45 .0017 -.3906 999.9900 999.9900 .3421 -.0156 .4763 .3402 .3969 .1539 46 SER 46 .1093 999.9900 -.7153 999.9900 -1.6178 -.7413 .2733 .3939 .3436 -.3113 47 GLY 47 -1.9441 999.9900 999.9900 999.9900 -1.0172 -1.4806 .3200 .0251 .1562 -.6540 48 ARG 48 -.4155 1.0644 999.9900 .9503 .7064 .6512 .5603 .2167 .3598 .5761 49 SER 49 -.0741 999.9900 -.0289 999.9900 .8558 .2509 .2012 .6165 .4434 .3141 50 TRP 50 -.0034 -1.0414 999.9900 999.9900 .0811 -.3212 -.1585 .5634 .2626 -.1118 51 THR 51 .4909 999.9900 -.8810 999.9900 .0572 -.1110 -.4738 .1048 -.1363 -.1404 52 VAL 52 -.8595 999.9900 -.5532 999.9900 -.3121 -.5749 -.3114 .6153 .2292 -.2842 53 ARG 53 -.5160 1.0858 999.9900 .1593 -1.7309 -.1685 -.1627 .4677 .2050 -.0768 54 MET 54 -.3206 .2906 999.9900 .9587 -1.2625 -.0835 -.0271 .2564 .1383 -.0174 55 LYS 55 -.3223 1.1488 999.9900 1.2852 .5595 .7913 -.2987 .4874 .1598 .5922 56 LYS 56 -.3543 -.2178 999.9900 .2495 -.4892 -.1124 -4.2204 .2370 -1.6202 -.6494 57 ARG 57 -1.5415 1.0644 999.9900 .5548 .4837 .2232 -.2528 .6068 .2486 .2100 58 GLY 58 -1.1938 999.9900 999.9900 999.9900 .0951 -.5493 -2.7647 .6215 -.8835 -.8105 59 GLU 59 -.6642 1.0525 999.9900 -1.0323 -2.5035 -.7869 -.1238 .3351 .1439 -.4894 60 LYS 60 -.8956 1.1488 999.9900 .3240 -.4892 .0824 .3999 .5352 .4789 .1925 61 VAL 61 -.0951 999.9900 .8055 999.9900 .1768 .2957 .0787 .4687 .3062 .2869 62 PHE 62 -.2058 .1972 999.9900 999.9900 -.5721 -.1936 -.4599 .5874 .1510 -.0907 63 LEU 63 -.7582 -1.6805 999.9900 999.9900 -.9806 -1.1398 -1.7288 .1165 -.6524 -1.0063 64 THR 64 -4.2065 999.9900 .4804 999.9900 -.7236 -1.4833 .0915 .2571 .1881 -.8202 65 VAL 65 -1.2071 999.9900 .1416 999.9900 -.6089 -.5581 -.0837 .5142 .2651 -.2488 66 GLY 66 -1.5840 999.9900 999.9900 999.9900 -.3452 -.9646 -.2512 .5068 .1699 -.4184 67 TRP 67 .4280 .5502 999.9900 999.9900 -.1614 .2723 .2630 .4927 .3970 .3145 68 GLU 68 .4426 -.3402 999.9900 -1.0323 .7566 -.0433 .2597 .5179 .4103 .1007 69 ASN 69 .9310 .1037 999.9900 999.9900 .1585 .3977 -.1567 .4523 .1986 .2978 70 PHE 70 .6259 -.6014 999.9900 999.9900 .1482 .0576 .3277 .5416 .4525 .2084 71 VAL 71 1.0462 999.9900 -1.0788 999.9900 .6959 .2211 .1243 .6070 .4059 .2789 72 LYS 72 .8536 .2165 999.9900 1.0897 -.4892 .5521 .6355 .5206 .5685 .5595 73 ASP 73 .2706 -.4551 999.9900 999.9900 .5121 .1092 .4630 .4106 .4324 .2402 74 ASN 74 .0188 -.4258 999.9900 999.9900 .1585 -.0828 .5265 .5394 .5340 .1635 75 ASN 75 -2.5793 -.4258 999.9900 999.9900 .8079 -.7324 .3563 -.1023 .0888 -.3886 76 LEU 76 .1006 -1.5832 999.9900 999.9900 -2.5031 -1.3286 -.5191 .2241 -.0855 -.8561 77 GLU 77 -1.1136 -.9977 999.9900 -1.0323 .7127 -.6077 -.2983 -.1047 -.1854 -.4723 78 ASP 78 -.5899 -1.0518 999.9900 999.9900 .1337 -.5027 .1034 .5743 .3781 -.1661 79 GLY 79 -2.2927 999.9900 999.9900 999.9900 .0351 -1.1288 .0756 .4877 .3046 -.4235 80 LYS 80 -.3286 1.1634 999.9900 .4411 -1.6664 .0101 .0497 .3910 .2488 .0702 81 TYR 81 .2346 -.3674 999.9900 999.9900 -.2672 -.1333 -.2140 .6069 .2649 -.0014 82 LEU 82 .0291 .5280 999.9900 999.9900 -1.5756 -.3395 .5996 .4526 .5139 .0067 83 GLN 83 -.1966 .4898 999.9900 1.3059 -.0576 .3854 -.6388 -.1205 -.3365 .1304 84 PHE 84 -.2255 .8396 999.9900 999.9900 -.0962 .1726 -.6257 .5941 .0858 .0973 85 ILE 85 .1597 .6227 999.9900 999.9900 -1.0155 -.0777 -.1904 .4231 .1675 -.0001 86 TYR 86 -.1271 .4960 999.9900 999.9900 -1.0119 -.2143 .3131 .2915 .3005 -.0077 87 ASP 87 -.7471 -1.3712 999.9900 999.9900 -.2530 -.7904 .2773 .3925 .3445 -.3403 88 ARG 88 -2.9267 -.2995 999.9900 .1593 -.0022 -.5820 -.1997 -.0739 -.1263 -.4548 89 ASP 89 -2.3854 -.7325 999.9900 999.9900 .5121 -.8686 -.7010 -.4184 -.5361 -.7450 90 ARG 90 -2.0927 -2.3766 999.9900 .5548 -.5739 -.7867 .3765 .2609 .3091 -.4709 91 THR 91 .3447 999.9900 .9776 999.9900 .6112 .6445 .4441 .4538 .4497 .5663 92 PHE 92 .0900 .0967 999.9900 999.9900 -.7419 -.1851 -.1178 .4335 .2038 -.0479 93 TYR 93 .0500 .2608 999.9900 999.9900 -1.0119 -.2337 .1388 .3202 .2446 -.0484 94 VAL 94 .3372 999.9900 .2799 999.9900 -.3121 .1017 .3826 .6466 .5366 .2668 95 ILE 95 -.2113 .6227 999.9900 999.9900 .7362 .3825 .1564 .3354 .2608 .3279 96 ILE 96 -.1408 -.1544 999.9900 999.9900 .7045 .1364 .0429 .5487 .3380 .2002 97 TYR 97 .1961 -.5727 999.9900 999.9900 .6556 .0930 -.2922 .2880 .0462 .0549 98 GLY 98 -3.4864 999.9900 999.9900 999.9900 .5069 -1.4897 -.8573 .4849 -.1116 -.8380 99 HIS 99 -.4447 .6586 999.9900 999.9900 -.1902 .0079 .1615 .4113 .3072 .1193 100 ASN 100 -1.4401 1.2520 999.9900 999.9900 .0387 -.0498 -.2271 .3457 .1070 -.0062 101 MET 101 -.3815 -.1452 999.9900 .9587 -.8385 -.1016 -.7233 .6146 .0572 -.0859 102 CYS 102 999.9900 999.9900 .1296 999.9900 999.9900 .1296 -.4283 .0958 -.1288 -.0676 Means: -.4227 -.1664 -.0715 .4185 -.1991 -.1796 -.0298 .4235 .2338 -.0372 2.00 refined_11