1 MET 1 999.9900 .5321 999.9900 2.6340 -1.9874 .3929 -.0020 .4044 .2196 .3162 2 THR 2 -1.0713 999.9900 -.8810 999.9900 -2.7258 -1.5593 -.0513 -.0023 -.0227 -.9463 3 GLU 3 -3.2255 .8592 999.9900 -1.0323 -.6780 -1.0192 -2.9001 -1.9904 -2.3694 -1.4945 4 VAL 4 -.3161 999.9900 -1.0788 999.9900 .6959 -.2330 -.3120 .5806 .2087 -.0861 5 TYR 5 .3730 -.3119 999.9900 999.9900 -.2672 -.0687 .3819 .6500 .5383 .1651 6 ASP 6 -.0991 -1.3328 999.9900 999.9900 -.7687 -.7335 -2.1046 .4928 -.5894 -.7625 7 LEU 7 -.5127 .8730 999.9900 999.9900 -.7775 -.1391 -.2766 .3936 .1143 -.0600 8 GLU 8 -.7635 .6046 999.9900 -1.0323 .2101 -.2453 -1.4347 .4535 -.3332 -.3270 9 ILE 9 .0718 -.0414 999.9900 999.9900 .4912 .1739 -1.0601 .5781 -.1045 .0079 10 THR 10 .5049 999.9900 -.8810 999.9900 .1092 -.0890 -1.4358 .6227 -.2350 -.2160 11 THR 11 -.8088 999.9900 -.8810 999.9900 .0572 -.5442 -4.1269 .1295 -1.6440 -1.1260 12 ASN 12 -.1320 -.2320 999.9900 999.9900 .3587 -.0018 .4290 .5533 .5015 .1954 13 ALA 13 -.6134 999.9900 999.9900 999.9900 -.0105 -.3120 .1655 .6557 .4515 .0493 14 THR 14 -.5003 999.9900 -.2947 999.9900 .1092 -.2286 .3158 .3799 .3532 .0020 15 ASP 15 -.8891 -2.0001 999.9900 999.9900 .0868 -.9341 .1330 .5257 .3621 -.4287 16 PHE 16 -.2457 .8308 999.9900 999.9900 -2.2412 -.5520 .5423 .5111 .5241 -.1205 17 PRO 17 -.5949 999.9900 999.9900 999.9900 -.8366 -.7157 -.2645 .3681 .1045 -.3320 18 MET 18 -.3206 .5321 999.9900 .9587 .0476 .3045 -.2872 .3771 .1003 .2180 19 GLU 19 -.4497 1.1195 999.9900 -1.0323 1.0761 .1784 -.2052 .5578 .2399 .1777 20 LYS 20 -.3223 -.2562 999.9900 .4405 -.5755 -.0546 -1.3533 .4275 -.3145 -.1713 21 LYS 21 -.3286 .8596 999.9900 1.2708 -.6710 .4803 .0924 -.0972 -.0182 .3424 22 TYR 22 .5758 .3463 999.9900 999.9900 .6556 .5259 .5010 .5902 .5530 .5338 23 PRO 23 .4049 999.9900 999.9900 999.9900 .4021 .4035 .5560 .2757 .3925 .4096 24 ALA 24 .5799 999.9900 999.9900 999.9900 .2428 .4113 -.0104 .4611 .2646 .3183 25 GLY 25 -.2842 999.9900 999.9900 999.9900 .4883 .1021 .6041 .5805 .5910 .3472 26 MET 26 -.7385 -1.4323 999.9900 1.7963 .1873 -.0468 .1583 .5619 .3937 .0888 27 SER 27 -.1368 999.9900 -.0289 999.9900 .0290 -.0456 -.2394 .6637 .2875 .0575 28 LEU 28 .6509 -2.2115 999.9900 999.9900 .7949 -.2552 .4504 .2458 .3311 -.0139 29 ASN 29 1.1678 .9797 999.9900 999.9900 .7224 .9567 .3356 .1166 .2079 .6645 30 ASP 30 .9921 -.7325 999.9900 999.9900 .5431 .2676 .2787 .3846 .3405 .2932 31 LEU 31 1.1349 -2.7185 999.9900 999.9900 -.7775 -.7870 .4068 -.0693 .1291 -.4047 32 LYS 32 .2857 -.9951 999.9900 .2868 -.4892 -.1250 -1.1778 .1821 -.3846 -.2315 33 LYS 33 .9480 -.7632 999.9900 -.0770 .0060 .0074 .5245 .4024 .4533 .1377 34 LYS 34 .6780 -1.1257 999.9900 .5761 -2.0338 -.2659 -.3170 -.0062 -.1357 -.2361 35 LEU 35 .6296 .8847 999.9900 999.9900 .7348 .7497 .6565 .5553 .5975 .6922 36 GLU 36 .6116 -.0067 999.9900 1.1588 .2865 .5126 .1906 .3454 .2809 .4310 37 LEU 37 1.1349 .5315 999.9900 999.9900 .2381 .6348 .5587 .6455 .6093 .6217 38 VAL 38 -.1540 999.9900 -.0276 999.9900 -.3121 -.1646 .4478 .6823 .5846 .1273 39 VAL 39 -1.2342 999.9900 -.5532 999.9900 .6503 -.3790 .1656 .5168 .3705 -.0909 40 GLY 40 1.0529 999.9900 999.9900 999.9900 .3016 .6772 .0220 .6094 .3483 .4965 41 THR 41 -1.3548 999.9900 -.8810 999.9900 .1092 -.7089 -1.4696 .4179 -.3685 -.6357 42 THR 42 -.1094 999.9900 -.2947 999.9900 -1.6680 -.6907 -.3691 .0857 -.1038 -.4711 43 VAL 43 .8065 999.9900 .1416 999.9900 .5258 .4913 -.0554 .4101 .2161 .3657 44 ASP 44 .6418 -.5059 999.9900 999.9900 -.4783 -.1141 .5465 .6972 .6344 .1803 45 SER 45 .0421 999.9900 -.0289 999.9900 .5215 .1783 -.6759 .6109 .0748 .0940 46 MET 46 -.5881 -.1452 999.9900 2.6340 -.8385 .2655 -.0490 .6708 .3709 .2807 47 ARG 47 -.4155 .8024 999.9900 1.2696 -.0022 .5848 .2333 .4613 .3663 .5169 48 ILE 48 .4877 -.0177 999.9900 999.9900 .3195 .2632 -.0414 .6636 .3698 .2823 49 GLN 49 -.1803 -1.0287 999.9900 1.3059 .5113 .1521 -.0119 .1240 .0674 .1200 50 LEU 50 -.0536 .5563 999.9900 999.9900 -.0308 .1573 .0733 .5492 .3509 .2189 51 PHE 51 .0900 .9147 999.9900 999.9900 -.3041 .2335 .2309 .5311 .4060 .2925 52 ASP 52 -2.8635 -1.1062 999.9900 999.9900 .4469 -1.1743 -1.1465 .5622 -.1498 -.8214 53 GLY 53 -1.9441 999.9900 999.9900 999.9900 -.9224 -1.4333 -.4993 .6634 .1467 -.6756 54 ASP 54 -.4109 -1.0518 999.9900 999.9900 -.0689 -.5105 .5345 .5981 .5716 -.0798 55 ASP 55 -3.3417 -1.3328 999.9900 999.9900 .4469 -1.4092 .4746 .6358 .5687 -.6234 56 GLN 56 -.9796 -1.6169 999.9900 1.3059 -2.2865 -.8943 -1.2832 -.3392 -.7325 -.8666 57 LEU 57 -.2181 .3099 999.9900 999.9900 -.8739 -.2607 .1561 .5475 .3844 -.0157 58 LYS 58 -1.4779 -.2831 999.9900 -.4035 .5595 -.4017 .1231 .5832 .3915 -.1860 59 GLY 59 -.8710 999.9900 999.9900 999.9900 .3466 -.2622 -.5465 .5461 .0605 -.1312 60 GLU 60 -.4615 .7809 999.9900 -1.0323 1.0761 .0908 -1.4942 -.1541 -.7125 -.2142 61 LEU 61 -3.7702 .8730 999.9900 999.9900 -3.2047 -2.0340 -2.4830 -.2007 -1.1517 -1.7571 62 THR 62 -3.6133 999.9900 .4804 999.9900 .5164 -.8722 -.4123 -.4777 -.4505 -.7013 63 ASP 63 -.3451 -.7868 999.9900 999.9900 .7118 -.1401 -.7246 .1514 -.2136 -.1987 64 GLY 64 -.9395 999.9900 999.9900 999.9900 -.2551 -.5973 .3822 .6910 .5537 -.0304 65 ALA 65 -.5171 999.9900 999.9900 999.9900 .4999 -.0086 .2876 .5667 .4504 .2093 66 LYS 66 -.3414 -.6359 999.9900 .3240 -2.6618 -.5982 -.2089 -.1934 -.1999 -.4848 67 SER 67 .0135 999.9900 -.0289 999.9900 -.4586 -.1580 -.3569 .4037 .0868 -.0854 68 LEU 68 .4996 .8730 999.9900 999.9900 -.2242 .3828 .4133 .5712 .5054 .4266 69 LYS 69 .8536 .8596 999.9900 1.1993 .5595 .9343 .4797 .6747 .5934 .8322 70 ASP 70 .6201 -1.0518 999.9900 999.9900 -.5661 -.3326 .5095 .6124 .5695 .0248 71 LEU 71 -.2213 .9108 999.9900 999.9900 .6258 .4384 .1925 .4249 .3281 .3865 72 GLY 72 .6263 999.9900 999.9900 999.9900 .0351 .3307 .2139 .6620 .4628 .3843 73 VAL 73 -.4842 999.9900 .7395 999.9900 .7810 .3455 -.6333 .4818 .0172 .1770 74 ARG 74 -2.5097 1.1781 999.9900 1.4811 .4837 .4228 -.0075 .6416 .3711 .3926 75 ASP 75 -.1859 -2.4630 999.9900 999.9900 -.2530 -.9673 -.8805 .3257 -.1769 -.6913 76 GLY 76 1.0314 999.9900 999.9900 999.9900 .6890 .8602 .2921 .6533 .4928 .6665 77 TYR 77 -.3370 -1.6488 999.9900 999.9900 .1301 -.6186 -.1816 .6234 .2880 -.2828 78 ARG 78 -.2265 -.1311 999.9900 .1593 -.1565 -.0391 -.4258 .3463 .0246 -.0393 79 ILE 79 .2768 -.0414 999.9900 999.9900 .6034 .2796 -.6254 .2456 -.1173 .0918 80 HIS 80 -.2681 .6357 999.9900 999.9900 -.6493 -.0939 -.6030 .6395 .1218 -.0490 81 ALA 81 -.8335 999.9900 999.9900 999.9900 .8152 -.0092 -.0031 .5723 .3325 .1377 82 VAL 82 -.4049 999.9900 -.2457 999.9900 -.1376 -.2627 .1488 .4537 .3267 -.0371 83 ASP 83 -.5648 -2.0001 999.9900 999.9900 .5431 -.6739 -1.0637 .6551 -.0610 -.4861 84 VAL 84 -1.4748 999.9900 .6672 999.9900 -1.5772 -.7949 .4053 .6243 .5331 -.2710 85 THR 85 .8748 999.9900 -.8810 999.9900 .1092 .0343 -.0804 .6025 .3179 .1250 86 GLY 86 -.7504 999.9900 999.9900 999.9900 .0351 -.3576 .3013 .4634 .3913 .0123 87 GLY 87 -.1741 999.9900 999.9900 999.9900 -.0631 -.1186 .5975 .5237 .5565 .2210 88 ASN 88 -.0682 .1037 999.9900 999.9900 -.1777 -.0474 -.8601 .3911 -.1302 -.1222 89 GLU 89 -2.8104 -2.8418 999.9900 -1.0323 -1.0906 -1.9438 -.3584 -.6132 -.5070 -1.4578 90 ASP 90 999.9900 -.7152 999.9900 999.9900 999.9900 -.7152 -.3418 -.0478 -.1738 -.3683 Means: -.3544 -.2774 -.2754 .5790 -.1413 -.1568 -.2400 .3807 .1205 -.0668 2.00 refined_15