1 ASP 1 999.9900 -2.4630 999.9900 999.9900 .7118 -.8756 .5308 .5092 .5190 -.1778 2 PRO 2 .3744 999.9900 999.9900 999.9900 .9143 .6443 .2880 .3451 .3213 .4805 3 ASN 3 .4497 -1.0148 999.9900 999.9900 .9106 .1151 .1920 -.0162 .0705 .1042 4 ALA 4 -1.9174 999.9900 999.9900 999.9900 -1.4870 -1.7022 -1.9737 .3367 -.6260 -1.2604 5 GLU 5 -3.2255 .7809 999.9900 -1.0323 -1.5390 -1.2540 -1.3643 .0612 -.5327 -1.0532 6 PHE 6 -.8715 .8308 999.9900 999.9900 -.7419 -.2609 -2.4003 .5953 -.6528 -.5175 7 ASP 7 -.1930 -1.2276 999.9900 999.9900 .0868 -.4446 .2996 .1770 .2281 -.1714 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .4949 .1726 .4829 .5127 .5003 .3352 9 ASP 9 -.4109 -.2599 999.9900 999.9900 .8336 .0543 .0939 .6012 .3898 .1716 10 LEU 10 -.4108 .5280 999.9900 999.9900 .4774 .1982 .5260 .4963 .5087 .3234 11 PRO 11 -.3960 999.9900 999.9900 999.9900 .7944 .1992 .4947 .4755 .4835 .3421 12 GLY 12 .4052 999.9900 999.9900 999.9900 -.0291 .1880 .3214 .6484 .5030 .3365 13 GLY 13 .5072 999.9900 999.9900 999.9900 -.9224 -.2076 .3879 .5898 .5001 .1406 14 GLY 14 1.0314 999.9900 999.9900 999.9900 .8897 .9606 .5229 .6311 .5830 .7688 15 LEU 15 -1.1916 .8730 999.9900 999.9900 .6486 .1100 .2963 .6316 .4919 .2516 16 HIS 16 -1.9498 .3722 999.9900 999.9900 .1122 -.4885 -.9940 .1277 -.3396 -.4663 17 ARG 17 -1.2588 -1.1946 999.9900 .1593 -.4506 -.5171 -1.0406 .5010 -.1413 -.4464 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 .0691 .1727 .1295 .0173 19 LEU 19 .8475 .8730 999.9900 999.9900 .7753 .8319 .3226 .6499 .5135 .6936 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .8416 .3652 .6232 .6287 .6264 .4956 21 CYS 21 -.8048 999.9900 1.5962 999.9900 .0994 .2969 .4468 .2328 .3220 .3141 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.1129 -.9190 -.0512 .3035 .1557 -.3964 23 ARG 23 -.6502 .8024 999.9900 .1593 .2983 .1538 -.7125 .5126 .0021 .0813 24 TYR 24 .0406 -.0856 999.9900 999.9900 -.1498 -.0649 -1.9799 .1120 -.7596 -.4125 25 PHE 25 .1161 .5589 999.9900 999.9900 -.0962 .1929 .1698 .5853 .4122 .2668 26 ILE 26 .7069 .6227 999.9900 999.9900 -2.1444 -.2716 .4180 .5161 .4752 .0239 27 ASP 27 -.5058 -2.4630 999.9900 999.9900 .2628 -.9020 .4262 .4413 .4350 -.3677 28 SER 28 1.0911 999.9900 -.7153 999.9900 .3749 .2502 .6117 .4829 .5366 .3691 29 THR 29 .8703 999.9900 .6346 999.9900 .7246 .7431 .4823 .6154 .5600 .6654 30 ASN 30 1.1272 .3924 999.9900 999.9900 .5222 .6806 .3118 .6518 .5101 .6011 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .7139 -.5569 -.3308 .2241 -.0071 -.3555 32 LYS 32 1.2214 -2.9005 999.9900 -.4035 -.3378 -.5648 .1969 .4127 .3228 -.3163 33 THR 33 .8748 999.9900 .0483 999.9900 -1.0006 -.0258 .2895 .5689 .4525 .1562 34 HIS 34 .4792 -.2881 999.9900 999.9900 .5967 .2626 .2655 .2695 .2679 .2646 35 PHE 35 -.3437 -.7766 999.9900 999.9900 .6382 -.1607 .4529 -.1710 .0890 -.0400 36 ARG 36 .8469 1.0644 999.9900 1.6274 -.5739 .9184 .2940 .2871 .2899 .7390 37 SER 37 -2.4175 999.9900 -.7153 999.9900 .4364 -.8988 -.1817 .4759 .2019 -.4805 38 LYS 38 .4938 .0381 999.9900 .3240 .8827 .4125 .6513 .5899 .6155 .4720 39 ASP 39 1.3227 -1.6521 999.9900 999.9900 .6587 .1098 .6311 .3598 .4729 .2641 40 HIS 40 .8901 -.8163 999.9900 999.9900 -.6493 -.1918 -2.0281 .4613 -.5760 -.4285 41 LYS 41 .6780 1.0637 999.9900 .4996 -2.6618 .0158 -.2798 -.0859 -.1667 -.0410 42 LYS 42 .9451 .0381 999.9900 .1140 .2547 .2932 .6701 .4475 .5403 .3691 43 ARG 43 .8469 -2.8571 999.9900 .7862 .3956 -.0085 .2109 .6663 .4766 .1193 44 LEU 44 .6509 .8847 999.9900 999.9900 -.0758 .4866 .1674 .6430 .4448 .4540 45 LYS 45 .9480 .8340 999.9900 .4411 -.3378 .4653 .6079 .5389 .5677 .4962 46 GLN 46 .9013 1.1250 999.9900 1.3059 -.0576 .8186 .5113 .6456 .5897 .7386 47 LEU 47 .2140 -1.5262 999.9900 999.9900 -.5333 -.6152 .4023 .6357 .5385 -.1615 48 SER 48 -.8144 999.9900 .3727 999.9900 -.0193 -.1536 .5008 .1378 .2891 .0355 49 VAL 49 .3041 999.9900 -.5532 999.9900 -.8010 -.3500 .0451 .0998 .0770 -.1810 50 GLU 50 -3.2255 .8034 999.9900 -1.0323 .2491 -.8013 -.1178 -1.0887 -.6842 -.7353 51 PRO 51 -1.9661 999.9900 999.9900 999.9900 .8563 -.5549 -.2093 .6755 .3068 -.1609 52 TYR 52 -.1387 .5297 999.9900 999.9900 .6556 .3489 -.3562 .3878 .0778 .2156 53 SER 53 -3.2405 999.9900 -.7153 999.9900 .3088 -1.2157 -.4603 .1145 -.1250 -.7986 54 GLN 54 -3.1236 .6816 999.9900 1.3059 -.1596 -.3240 -.0879 .2745 .1235 -.1849 55 GLU 55 -3.2255 -.1645 999.9900 -1.0323 .0339 -1.0971 .2440 -.3181 -.0839 -.7438 56 GLU 56 -2.3953 .7809 999.9900 -1.0323 -.9305 -.8943 .2941 .3468 .3249 -.4894 57 ALA 57 -1.4845 999.9900 999.9900 999.9900 -.7624 -1.1235 .1453 .3460 .2624 -.4389 58 GLU 58 -.2011 1.1195 999.9900 -1.0323 .3899 .0690 .5075 .4808 .4920 .2107 59 ARG 59 -2.9267 1.0858 999.9900 1.4811 -.8847 .0473 -.0234 .1200 .0603 .0476 60 ALA 60 -3.0686 999.9900 999.9900 999.9900 -.3587 -1.7137 .2812 .3591 .3267 -.6968 61 ALA 61 -1.6732 999.9900 999.9900 999.9900 .8152 -.4290 .3782 .5745 .4927 .0237 62 GLY 62 -2.2927 999.9900 999.9900 999.9900 .8897 -.7015 .6152 .6018 .6077 -.0465 63 MET 63 -2.6662 .8879 999.9900 .9587 .6113 -.0521 .2002 .3484 .2866 .0567 64 GLY 64 -1.7079 999.9900 999.9900 999.9900 .0951 -.8064 -.2824 .6535 .2375 -.3104 65 SER 65 -1.2908 999.9900 -.0289 999.9900 .3425 -.3257 .1241 .6534 .4329 -.0399 66 TYR 66 .3730 .7421 999.9900 999.9900 -.4027 .2374 .5570 .4740 .5086 .3487 67 VAL 67 999.9900 999.9900 .4980 999.9900 999.9900 .4980 .5150 -.1536 .1330 .2865 Means: -.5136 -.1159 .0501 .3138 .0311 -.1268 .0409 .3736 .2343 .0048 2.00 refined_15