1 ASP 1 999.9900 -.2599 999.9900 999.9900 .6310 .1855 .4309 .3534 .3886 .2889 2 PRO 2 .4049 999.9900 999.9900 999.9900 .1827 .2938 .6433 .4860 .5516 .4292 3 ASN 3 -3.4329 -1.5725 999.9900 999.9900 .1585 -1.6156 .2275 .2039 .2137 -.8831 4 ALA 4 -2.6726 999.9900 999.9900 999.9900 -1.0083 -1.8404 -1.3625 .4212 -.3220 -1.1555 5 GLU 5 -3.2255 .6653 999.9900 -1.0323 .3223 -.8176 -.4079 .2860 -.0031 -.5653 6 PHE 6 -3.6149 .9147 999.9900 999.9900 -.0075 -.9025 .3916 .4850 .4461 -.3662 7 ASP 7 -.2452 -1.2276 999.9900 999.9900 .1786 -.4314 .6356 .2211 .3938 -.0875 8 PRO 8 -.1497 999.9900 999.9900 999.9900 .6931 .2717 .4798 .5597 .5264 .3957 9 ASP 9 -.0867 -.3515 999.9900 999.9900 .4469 .0029 .2191 .5702 .4239 .1596 10 LEU 10 -.1775 -1.8410 999.9900 999.9900 .2381 -.5935 .5148 .5548 .5381 -.1422 11 PRO 11 -.0828 999.9900 999.9900 999.9900 -.1935 -.1381 .5303 .5034 .5147 .1894 12 GLY 12 .8874 999.9900 999.9900 999.9900 .4101 .6487 .6156 .5865 .5994 .6249 13 GLY 13 .8169 999.9900 999.9900 999.9900 -.0291 .3939 .6355 .5823 .6060 .5014 14 GLY 14 .8169 999.9900 999.9900 999.9900 -.9224 -.0528 .5596 .6641 .6176 .2795 15 LEU 15 -.6576 .5280 999.9900 999.9900 -1.0998 -.4098 -.0398 .6067 .3373 -.1325 16 HIS 16 -1.2838 .1724 999.9900 999.9900 .5185 -.1976 -.5226 .5211 .0862 -.1189 17 ARG 17 -.0990 .7735 999.9900 .5548 -1.7309 .0106 -1.7034 -.2650 -.8643 -.2736 18 CYS 18 .0411 999.9900 .1296 999.9900 -.6280 -.1524 -.1078 .0584 -.0108 -.1013 19 LEU 19 1.1349 .8730 999.9900 999.9900 .7348 .9142 .4062 .6986 .5768 .7695 20 ALA 20 -.1113 999.9900 999.9900 999.9900 .6708 .2797 .6500 .6504 .6502 .4650 21 CYS 21 -1.3337 999.9900 1.5962 999.9900 1.0610 .4412 .5020 .3226 .3974 .4296 22 ALA 22 -1.7252 999.9900 999.9900 999.9900 -.0434 -.8843 .4787 .4735 .4757 -.2041 23 ARG 23 -.9440 1.0644 999.9900 .1593 -2.3710 -.3864 .4911 .6126 .5619 -.1183 24 TYR 24 -.3370 .8258 999.9900 999.9900 .1301 .2063 -.2450 .2161 .0240 .1180 25 PHE 25 -.0244 .5589 999.9900 999.9900 .7193 .4179 .3150 .3657 .3445 .3869 26 ILE 26 -1.0671 -.1544 999.9900 999.9900 1.0081 -.0711 .4464 .6775 .5812 .1821 27 ASP 27 -1.1787 -.3623 999.9900 999.9900 -1.5875 -1.0429 -.2609 .2449 .0341 -.6289 28 SER 28 .8651 999.9900 -.7153 999.9900 .3749 .1749 .3401 .4295 .3922 .2588 29 THR 29 1.2375 999.9900 -.8810 999.9900 -.1184 .0794 .1790 .5103 .3723 .1855 30 ASN 30 .6990 -.4258 999.9900 999.9900 .5940 .2891 .0873 .6041 .3888 .3117 31 LEU 31 .9913 -2.9612 999.9900 999.9900 .7753 -.3982 -.3841 .2175 -.0331 -.2722 32 LYS 32 1.2214 .0208 999.9900 -.4035 -.3378 .0195 .3377 .4412 .3981 .1252 33 THR 33 .8748 999.9900 1.0667 999.9900 -.1848 .5856 -.0573 .5766 .3125 .4552 34 HIS 34 .4792 -.1773 999.9900 999.9900 .2322 .1780 .0062 .1727 .1033 .1426 35 PHE 35 -.3916 -2.1527 999.9900 999.9900 .8956 -.5496 .6239 .0972 .3167 -.1855 36 ARG 36 .6655 -2.8571 999.9900 .1593 .5640 -.2618 .4673 -.0696 .1541 -.1302 37 SER 37 -.7578 999.9900 -.7153 999.9900 -.1244 -.5325 .3036 .3487 .3299 -.1890 38 LYS 38 .9480 .0381 999.9900 .4411 -.4892 .2758 .4721 .5662 .5270 .3454 39 ASP 39 1.1359 -.5059 999.9900 999.9900 .8104 .4801 -.0498 .5419 .2954 .3865 40 HIS 40 .6603 -.8163 999.9900 999.9900 -1.6368 -.5976 -2.5984 .4857 -.7993 -.7811 41 LYS 41 .9480 1.1488 999.9900 .3240 -.8987 .3693 -.6515 .3158 -.0872 .2158 42 LYS 42 1.2214 .8340 999.9900 -.0770 .5595 .4922 .2459 .5332 .4135 .4629 43 ARG 43 .8469 -2.8571 999.9900 .9503 .8581 .1497 .0044 .3381 .1991 .1559 44 LEU 44 .8442 -1.1684 999.9900 999.9900 .4504 .0421 .4637 .6078 .5477 .2395 45 LYS 45 1.2214 1.1488 999.9900 .6177 .7460 .8704 .4599 .5819 .5310 .7705 46 GLN 46 -.0365 .5350 999.9900 1.3059 .7486 .6382 .4114 .6303 .5391 .5991 47 LEU 47 .8442 -1.4036 999.9900 999.9900 -.4635 -.3410 .1430 .4191 .3041 -.0922 48 SER 48 -2.9368 999.9900 .6576 999.9900 -1.9795 -1.4196 -.1241 .2837 .1138 -.8198 49 VAL 49 -4.3409 999.9900 -.2457 999.9900 -.3121 -1.6329 -.0817 -.0584 -.0681 -1.0078 50 GLU 50 -.4325 1.1195 999.9900 -1.0323 .3568 .0028 .2793 -.1823 .0100 .0181 51 PRO 51 -2.2066 999.9900 999.9900 999.9900 -1.3105 -1.7586 -.0513 .5544 .3020 -.7535 52 TYR 52 .1961 -4.1972 999.9900 999.9900 .6556 -1.1152 .0613 -.2521 -.1215 -.7073 53 SER 53 -.4495 999.9900 -.7153 999.9900 .8922 -.0909 -.8832 .4684 -.0948 -.1375 54 GLN 54 -1.5899 1.2376 999.9900 1.3059 .0346 .2470 -.9535 .2183 -.2700 .0421 55 GLU 55 -3.2255 .7809 999.9900 -1.0323 -.9305 -1.1019 -.0809 .1269 .0403 -.7269 56 GLU 56 .5470 1.1195 999.9900 -1.0323 -.3984 .0589 .4060 .4639 .4398 .1843 57 ALA 57 -1.8806 999.9900 999.9900 999.9900 -.2278 -1.0542 .2885 .4389 .3762 -.3452 58 GLU 58 -3.2255 1.2230 999.9900 -1.0323 -.3984 -.8583 .5818 .3385 .4398 -.4188 59 ARG 59 1.1353 -2.8571 999.9900 .9503 -2.3710 -.4385 -.0597 -.1352 -.1037 -.3410 60 ALA 60 -3.4646 999.9900 999.9900 999.9900 .2671 -1.5988 .3768 .0370 .1786 -.6959 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 -.1129 -1.7887 -.4164 -1.3240 -.9458 -1.3295 62 GLY 62 -.3679 999.9900 999.9900 999.9900 .8277 .2299 -1.4400 -.7439 -1.0533 -.4310 63 MET 63 -.9371 -1.5870 999.9900 .9587 .5203 -.2613 -.2309 .4765 .1818 -.1332 64 GLY 64 -3.4864 999.9900 999.9900 999.9900 .6270 -1.4297 -1.4970 .4757 -.4010 -.9702 65 SER 65 -2.5541 999.9900 .3727 999.9900 .8558 -.4419 -.4754 .4022 .0365 -.2798 66 TYR 66 .0406 .5130 999.9900 999.9900 .9193 .4910 -.7534 .4587 -.0463 .2357 67 VAL 67 999.9900 999.9900 .8662 999.9900 999.9900 .8662 .4077 .4768 .4472 .5835 Means: -.5611 -.3327 .1287 .2058 -.0037 -.2047 .0113 .3359 .1999 -.0579 2.00 refined_11