1 ASP 1 999.9900 -1.8420 999.9900 999.9900 .2628 -.7896 .1510 .2631 .2121 -.2913 2 PRO 2 -1.2691 999.9900 999.9900 999.9900 -.1935 -.7313 .3371 .6124 .4977 -.1283 3 ASN 3 .6639 -.3237 999.9900 999.9900 .3587 .2330 .6713 .4645 .5506 .3669 4 ALA 4 -3.4646 999.9900 999.9900 999.9900 .6227 -1.4210 .4264 -.5527 -.1447 -.7420 5 GLU 5 1.0761 -.4402 999.9900 -1.0323 .2101 -.0466 .1552 .1280 .1393 .0161 6 PHE 6 -.2255 .1164 999.9900 999.9900 -.0075 -.0388 -.0363 .4411 .2422 .0577 7 ASP 7 -1.4290 -1.1062 999.9900 999.9900 .3772 -.7193 .5429 .2796 .3893 -.2671 8 PRO 8 .0709 999.9900 999.9900 999.9900 .9143 .4926 .4341 .5348 .4929 .4885 9 ASP 9 -.0867 -1.1062 999.9900 999.9900 .6856 -.1691 .4090 .5712 .5036 .0946 10 LEU 10 -.2181 .8730 999.9900 999.9900 .8331 .4960 .5750 .5475 .5590 .5221 11 PRO 11 -.9386 999.9900 999.9900 999.9900 .6931 -.1227 .6008 .4723 .5258 .2069 12 GLY 12 .5273 999.9900 999.9900 999.9900 .3016 .4145 .4988 .6094 .5603 .4843 13 GLY 13 .5072 999.9900 999.9900 999.9900 -.5578 -.0253 .6387 .5781 .6050 .2916 14 GLY 14 1.1448 999.9900 999.9900 999.9900 -.5578 .2935 .4611 .6182 .5484 .4166 15 LEU 15 -.6576 .8730 999.9900 999.9900 -.9806 -.2551 -.3659 .6551 .2297 -.0952 16 HIS 16 -1.3805 .8438 999.9900 999.9900 .5967 .0200 -1.2996 .4715 -.2664 -.1536 17 ARG 17 -.0990 -2.8571 999.9900 .6901 -1.0907 -.5334 -.8476 .0567 -.3201 -.4940 18 CYS 18 .0411 999.9900 .1296 999.9900 -.3261 -.0518 .0993 .3546 .2483 .0597 19 LEU 19 .8475 .8730 999.9900 999.9900 .7348 .8184 .4179 .6893 .5762 .7125 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .7458 .3172 .6297 .6599 .6473 .4810 21 CYS 21 -.8048 999.9900 .8629 999.9900 .4013 .1531 .5042 .3723 .4272 .2672 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.8374 -1.2813 .3740 .4016 .3901 -.4468 23 ARG 23 -.6502 -.2334 999.9900 .1593 -.0022 -.1134 -1.9454 .4663 -.5386 -.2923 24 TYR 24 -.0390 .8258 999.9900 999.9900 -.2672 .1732 -1.5388 .2335 -.5049 -.1571 25 PHE 25 .1097 .5589 999.9900 999.9900 -.1944 .1581 .4031 .6317 .5365 .3018 26 ILE 26 .0556 -.1544 999.9900 999.9900 .4912 .1308 .2572 .4269 .3562 .2153 27 ASP 27 -.9091 -.2599 999.9900 999.9900 .7118 -.1524 .2849 .6079 .4733 .0871 28 SER 28 .8349 999.9900 -.7153 999.9900 .5740 .2312 .6552 .5217 .5773 .3741 29 THR 29 1.2375 999.9900 -.8810 999.9900 .1586 .1717 .5051 .6469 .5878 .3334 30 ASN 30 1.3908 -1.4522 999.9900 999.9900 .5222 .1536 .1777 .5855 .4156 .2448 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .7753 -.3982 -.3399 .3156 .0425 -.2438 32 LYS 32 .9480 .1550 999.9900 .3240 -.3378 .2827 .4233 .4648 .4475 .3288 33 THR 33 .7717 999.9900 .7650 999.9900 .1586 .5651 .3631 .4663 .4233 .5049 34 HIS 34 .4792 -.1773 999.9900 999.9900 .4328 .2449 .0593 .0959 .0807 .1780 35 PHE 35 -.3794 -.7766 999.9900 999.9900 .7193 -.1456 .6415 .0937 .3219 .0597 36 ARG 36 -.4248 1.0644 999.9900 .5548 .1299 .3758 .3826 .5866 .5016 .4069 37 SER 37 -1.3191 999.9900 .3727 999.9900 .3088 -.2125 .1893 .3249 .2684 -.0247 38 LYS 38 1.2214 -2.9005 999.9900 .8416 .8827 .1773 .2706 .0588 .1471 .1737 39 ASP 39 1.1359 -.8657 999.9900 999.9900 .2216 .1639 -1.1321 .5060 -.1765 -.0268 40 HIS 40 .6603 -.7214 999.9900 999.9900 -1.6368 -.5660 -3.8052 .2906 -1.4160 -1.0425 41 LYS 41 .3654 .5574 999.9900 -.0770 -2.6618 -.3786 -1.0179 -.9658 -.9875 -.5538 42 LYS 42 1.2214 -.1469 999.9900 1.2407 .5850 .8282 .4128 .3276 .3631 .6973 43 ARG 43 .3315 -2.3766 999.9900 .5548 .6379 -.0595 .6242 .2396 .3998 .0809 44 LEU 44 .8442 .8730 999.9900 999.9900 .2381 .6518 .3204 .5166 .4348 .5585 45 LYS 45 .6780 1.1488 999.9900 .9443 .1791 .7789 .1657 .5429 .3857 .6576 46 GLN 46 .1030 .6816 999.9900 1.3059 .5113 .6504 -.5474 .1038 -.1675 .3597 47 LEU 47 -.2311 .5315 999.9900 999.9900 -.2242 .0254 -.5757 .6478 .1380 .0297 48 SER 48 -2.7213 999.9900 -.7153 999.9900 .0747 -1.1206 -.0507 .2007 .0960 -.6424 49 VAL 49 -2.1102 999.9900 .3968 999.9900 -.3121 -.6752 .3350 .4646 .4106 -.2452 50 GLU 50 -1.6894 1.1195 999.9900 -1.0323 .5923 -.2525 .4101 .3984 .4032 -.0336 51 PRO 51 -3.0630 999.9900 999.9900 999.9900 .9143 -1.0744 -.6174 .2645 -.1030 -.6254 52 TYR 52 -.0819 -.4641 999.9900 999.9900 -.2672 -.2711 -1.6088 .3962 -.4392 -.4052 53 SER 53 -1.7828 999.9900 .3727 999.9900 -.0193 -.4765 -2.1332 .5274 -.5812 -.6070 54 GLN 54 -.8363 .6267 999.9900 1.3059 .0346 .2827 .2322 .2639 .2507 .2712 55 GLU 55 -.1289 .4305 999.9900 .3501 .2101 .2155 .5560 .4717 .5068 .3149 56 GLU 56 -1.7373 .8225 999.9900 -1.0323 .6899 -.3143 .1989 -.1860 -.0257 -.2074 57 ALA 57 -1.1751 999.9900 999.9900 999.9900 .4999 -.3376 .6013 .6062 .6042 .1331 58 GLU 58 -2.3953 1.1195 999.9900 -1.0323 -1.8950 -1.0508 .6576 .3962 .5051 -.5249 59 ARG 59 -2.2658 1.0644 999.9900 .1593 -.0022 -.1770 .5841 -.5006 -.0486 -.1145 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .0520 -1.7063 .5265 -.0053 .2163 -.7229 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 -.1129 -1.7887 .4161 .1507 .2613 -.7527 62 GLY 62 -2.9723 999.9900 999.9900 999.9900 -.9224 -1.9473 .4992 .5815 .5449 -.7035 63 MET 63 -2.6662 .8105 999.9900 .9587 .8447 -.0131 -.0910 .2471 .1062 .0173 64 GLY 64 -2.2927 999.9900 999.9900 999.9900 .6270 -.8329 -.1235 .6743 .3197 -.2787 65 SER 65 -2.3021 999.9900 .3727 999.9900 .6235 -.4353 .3919 .5938 .5097 -.0640 66 TYR 66 -3.6999 .5582 999.9900 999.9900 .5630 -.8596 .1996 -.0261 .0679 -.4810 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.5387 -1.9676 -1.3552 -1.1950 Means: -.5993 -.1131 -.0107 .3777 .1257 -.1177 .0134 .3300 .1973 -.0066 2.00 refined_15