1 ASP 1 999.9900 -1.7105 999.9900 999.9900 -.3226 -1.0165 .5960 .0262 .2852 -.3527 2 PRO 2 -.9386 999.9900 999.9900 999.9900 .9143 -.0121 .5894 -.2153 .1200 .0874 3 ASN 3 -2.5793 -.5828 999.9900 999.9900 -1.3432 -1.5018 -.6632 -.1087 -.3397 -1.0554 4 ALA 4 -1.8459 999.9900 999.9900 999.9900 -1.3426 -1.5942 -1.3631 .4707 -.2934 -1.0202 5 GLU 5 -2.5676 -.3719 999.9900 -1.0323 .2865 -.9213 .0285 .4622 .2815 -.5324 6 PHE 6 -3.6149 .6915 999.9900 999.9900 .2815 -.8806 .3408 .3793 .3633 -.3843 7 ASP 7 -.3915 -1.1062 999.9900 999.9900 -.3974 -.6317 .6619 .5014 .5683 -.1464 8 PRO 8 -.5342 999.9900 999.9900 999.9900 .6188 .0423 .2051 .3858 .3105 .1689 9 ASP 9 -.9091 -.4801 999.9900 999.9900 .8336 -.1852 -.2562 .4462 .1535 -.0731 10 LEU 10 -.1836 .5236 999.9900 999.9900 .6258 .3219 .1998 .4316 .3350 .3194 11 PRO 11 -.9386 999.9900 999.9900 999.9900 .7281 -.1052 .3992 .3950 .3968 .1459 12 GLY 12 .5723 999.9900 999.9900 999.9900 .8897 .7310 .4611 .6028 .5398 .6315 13 GLY 13 .8169 999.9900 999.9900 999.9900 .4101 .6135 .6367 .6410 .6391 .6262 14 GLY 14 1.1448 999.9900 999.9900 999.9900 .5429 .8438 .6380 .6875 .6655 .7533 15 LEU 15 -.7230 .8730 999.9900 999.9900 -1.0998 -.3166 -.3034 .6466 .2508 -.1213 16 HIS 16 -1.4902 .4588 999.9900 999.9900 .9611 -.0234 -1.5782 .4940 -.3694 -.2309 17 ARG 17 -.3294 -.4122 999.9900 1.6084 -2.3710 .0208 -1.4155 .5178 -.2878 -.1134 18 CYS 18 .0411 999.9900 .1296 999.9900 .2612 .1440 .1127 .2409 .1875 .1571 19 LEU 19 1.1349 .8730 999.9900 999.9900 .8331 .9470 .5241 .6660 .6069 .8062 20 ALA 20 -.1097 999.9900 999.9900 999.9900 .2671 .0787 .6761 .6506 .6612 .3710 21 CYS 21 -.8048 999.9900 .1296 999.9900 1.1923 .1724 .4409 .3761 .4031 .2668 22 ALA 22 -2.2093 999.9900 999.9900 999.9900 -.0105 -1.1099 .3136 .5323 .4412 -.3435 23 ARG 23 -.6502 1.1781 999.9900 .1593 -.0022 .1689 -2.0564 .4153 -.6146 -.1138 24 TYR 24 -.0390 -.0856 999.9900 999.9900 .6556 .1770 -1.3714 .2325 -.4358 -.1216 25 PHE 25 .0766 .5589 999.9900 999.9900 -.9498 -.1048 .3610 .6113 .5070 .1316 26 ILE 26 -.3860 -2.2551 999.9900 999.9900 -.1449 -.9287 .1181 .3421 .2488 -.4652 27 ASP 27 -.9091 -.5059 999.9900 999.9900 .8104 -.2015 .4986 .6231 .5712 .1034 28 SER 28 1.0911 999.9900 -.0289 999.9900 .5215 .5279 .6040 .5948 .5987 .5565 29 THR 29 1.2375 999.9900 -.2947 999.9900 .4826 .4751 .4456 .6374 .5575 .5017 30 ASN 30 1.3908 -.4258 999.9900 999.9900 .5940 .5197 -.2738 .6086 .2409 .3788 31 LEU 31 .9913 -3.3760 999.9900 999.9900 .5787 -.6020 -.9129 .1119 -.3151 -.5214 32 LYS 32 .6780 1.0637 999.9900 .8261 -1.2036 .4381 .4569 .0824 .2385 .3900 33 THR 33 .8748 999.9900 1.0667 999.9900 -.2561 .5618 .4627 .4559 .4587 .5208 34 HIS 34 .9933 -.1773 999.9900 999.9900 .5185 .4448 -.2249 .1870 .0154 .2593 35 PHE 35 -.3916 -1.2526 999.9900 999.9900 .6382 -.3353 .6680 -.1243 .2058 -.0925 36 ARG 36 -.4248 1.1781 999.9900 .5548 -1.3564 .1013 .4492 .2476 .3316 .1719 37 SER 37 -2.2020 999.9900 .3727 999.9900 -.7427 -.8574 -.1312 .3513 .1503 -.4704 38 LYS 38 1.0429 .8596 999.9900 1.4618 .6576 1.0967 .3517 .4093 .3853 .8921 39 ASP 39 .8349 -.5889 999.9900 999.9900 .5733 .2731 -.3050 .4510 .1360 .1930 40 HIS 40 .8901 -.9211 999.9900 999.9900 -1.6368 -.5559 -4.2118 .2624 -1.6018 -1.1234 41 LYS 41 .6780 .5574 999.9900 .4411 -2.6618 -.1088 -1.3739 -.5407 -.8879 -.3512 42 LYS 42 .9451 -.1469 999.9900 .5131 .8827 .5414 .4149 .2455 .3161 .4811 43 ARG 43 .6041 -1.1343 999.9900 .1593 -.3418 -.1107 .4698 .1809 .3013 .0139 44 LEU 44 1.1349 .8847 999.9900 999.9900 .8331 .9509 .3750 .6021 .5075 .7660 45 LYS 45 1.2214 .8340 999.9900 .5131 .2547 .6673 .6355 .6208 .6270 .6561 46 GLN 46 -.0365 -.2368 999.9900 1.3059 .2680 .3252 .5469 .4878 .5124 .3892 47 LEU 47 -.2213 .8847 999.9900 999.9900 .4774 .3803 .3150 .6785 .5271 .4269 48 SER 48 .8651 999.9900 -.0289 999.9900 -.0703 .2553 .5344 .5610 .5499 .3723 49 VAL 49 -.4049 999.9900 .5873 999.9900 .8960 .3595 .5909 .3629 .4579 .4064 50 GLU 50 -3.2255 .7809 999.9900 -1.0323 .4218 -.7638 .6047 .0331 .2713 -.4029 51 PRO 51 -5.1268 999.9900 999.9900 999.9900 -1.6867 -3.4068 .5380 -.1120 .1589 -1.5969 52 TYR 52 -3.6999 .6919 999.9900 999.9900 .4594 -.8495 -1.2447 -.1490 -.6056 -.7885 53 SER 53 -.7180 999.9900 -.7153 999.9900 .5215 -.3040 -1.1802 .4851 -.2088 -.3214 54 GLN 54 -.5591 .6315 999.9900 1.3059 .0346 .3532 -.0699 -.1390 -.1102 .2007 55 GLU 55 -.4382 1.0525 999.9900 .3501 -.3984 .1415 .6576 .2047 .3934 .2380 56 GLU 56 -1.0962 -2.8418 999.9900 1.1588 .2865 -.6232 .1869 -.2789 -.0848 -.4308 57 ALA 57 -3.4646 999.9900 999.9900 999.9900 .8018 -1.3314 .4805 .1803 .3054 -.5005 58 GLU 58 -3.2255 1.1195 999.9900 .3501 -1.2865 -.7606 .3358 -.5271 -.1676 -.5390 59 ARG 59 -1.0672 -2.8571 999.9900 .1593 -.0761 -.7364 -.5653 .5044 .0587 -.5347 60 ALA 60 -2.6726 999.9900 999.9900 999.9900 -.7624 -1.7175 .3659 .6432 .5277 -.6065 61 ALA 61 -3.4646 999.9900 999.9900 999.9900 -.1879 -1.8263 -.2223 .0416 -.0683 -.9583 62 GLY 62 -2.0431 999.9900 999.9900 999.9900 .5943 -.7244 .5331 .6314 .5877 -.0711 63 MET 63 -.5881 -1.5870 999.9900 .9587 -.3043 -.3802 .2242 -.0552 .0613 -.2253 64 GLY 64 -2.4582 999.9900 999.9900 999.9900 -.8367 -1.6474 .5949 .6387 .6192 -.5153 65 SER 65 -1.4791 999.9900 .6576 999.9900 -.1819 -.3345 .2223 .2107 .2155 -.1141 66 TYR 66 -.1155 -.1729 999.9900 999.9900 -.1498 -.1461 -.2462 .5505 .2185 -.0268 67 VAL 67 999.9900 999.9900 -1.0788 999.9900 999.9900 -1.0788 -.0510 -.1055 -.0821 -.4117 Means: -.6464 -.1837 .0725 .5771 .0043 -.1531 -.0108 .3202 .1815 -.0313 2.00 refined_16