++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 16:06:33 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.ins Phases from ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.phi Native data from ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.hkl Listing output to ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.lst Phases output to ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.phs Poly-Ala trace output to ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 1 21 1 Allowed origin shift code: 2 58827 Reflections read from file ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.phi 58827 Reflections read from file ./2obn-2.3-parrot-hancs/2obn-2.3-parrot-hancs.hkl 58827 Unique data, highest resolution = 2.300 Angstroms Anisotropic scaling: intensities multiplied by 0.000114h^2 +0.000024k^2 -0.000104l^2 +0.000000kl +0.000087hl +0.000000hk 112 Reflections with d > 2.500 and 0 in range 2.500 > d > 2.300 added Density sharpening factor set to 0.30 Fourier grid = 128 x 256 x 49 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.673 = 0.300, Contrast = 0.349, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.397, Connect. = 0.710 for dens.mod. cycle 2 = 0.300, Contrast = 0.481, Connect. = 0.734 for dens.mod. cycle 3 = 0.300, Contrast = 0.508, Connect. = 0.742 for dens.mod. cycle 4 = 0.300, Contrast = 0.526, Connect. = 0.747 for dens.mod. cycle 5 = 0.300, Contrast = 0.538, Connect. = 0.752 for dens.mod. cycle 6 = 0.300, Contrast = 0.547, Connect. = 0.755 for dens.mod. cycle 7 = 0.300, Contrast = 0.554, Connect. = 0.757 for dens.mod. cycle 8 = 0.300, Contrast = 0.559, Connect. = 0.759 for dens.mod. cycle 9 = 0.300, Contrast = 0.562, Connect. = 0.761 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4027 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1199 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 19.343 1.840 0.942 0.766 0.905 0.619 CB 1.031 B: 20 24.845 1.905 0.925 0.781 0.947 0.579 CB 1.281 22 residues pruned to eliminate duplicates C: 14 26.435 1.932 0.765 0.940 1.000 0.846 CB 1.492 D: 9 15.359 2.029 0.559 0.856 1.000 1.000 CB 1.267 E: 16 18.608 1.793 0.598 0.931 1.000 0.667 CB 1.171 16 residues pruned to eliminate duplicates F: 16 18.958 2.014 0.411 0.822 0.933 0.800 CB 1.396 16 residues pruned to eliminate duplicates G: 17 23.968 2.033 0.728 0.802 0.938 0.750 CB 1.397 16 residues pruned to eliminate duplicates H: 14 15.417 1.833 0.962 0.697 0.846 0.615 CB 1.174 I: 8 15.052 1.815 0.915 0.898 0.857 0.857 CB 1.366 J: 18 34.646 1.771 1.184 0.940 1.000 0.765 CA 1.509 K: 11 21.778 2.018 0.853 0.852 1.000 0.900 CB 1.362 L: 6 3.616 1.651 0.015 0.710 0.800 0.800 CA 0.997 M: 16 32.674 1.862 1.161 0.941 1.000 0.933 CB 1.456 N: 16 28.654 1.887 0.807 0.936 1.000 0.933 CB 1.511 14 residues pruned to eliminate duplicates O: 17 23.785 1.810 0.835 0.913 1.000 0.938 CA 1.267 P: 20 25.991 2.013 0.641 0.812 1.000 0.895 CB 1.376 19 residues pruned to eliminate duplicates Q: 17 28.276 1.750 1.188 0.916 1.000 0.688 CA 1.303 17 residues pruned to eliminate duplicates R: 14 21.950 1.798 0.924 0.909 1.000 0.923 CB 1.249 S: 15 13.580 1.876 0.196 0.817 0.929 0.857 CA 1.323 T: 9 20.273 1.868 1.228 0.888 0.875 0.875 CB 1.419 U: 7 10.813 1.728 0.745 0.833 0.833 0.500 CA 1.318 V: 12 14.038 1.848 0.961 0.734 0.909 0.545 CB 1.041 12 residues pruned to eliminate duplicates W: 16 19.316 2.042 0.592 0.830 0.933 0.800 CB 1.236 16 residues pruned to eliminate duplicates X: 19 13.786 1.803 0.648 0.733 0.778 0.500 CB 1.140 15 residues pruned to eliminate duplicates Y: 15 22.157 1.832 0.692 0.909 1.000 0.786 CA 1.356 Z: 15 23.940 1.988 0.753 0.878 1.000 0.714 CB 1.332 Z: 10 13.723 2.017 0.573 0.809 0.889 0.778 CA 1.239 10 residues pruned to eliminate duplicates Z: 19 24.901 1.707 0.914 0.933 1.000 0.944 CA 1.254 19 residues pruned to eliminate duplicates Z: 15 14.296 1.636 0.645 0.876 0.929 0.643 CA 1.111 15 residues pruned to eliminate duplicates Z: 10 20.571 1.993 0.825 0.897 1.000 0.889 CB 1.350 9 residues pruned to eliminate duplicates Z: 14 23.073 2.134 0.675 0.825 0.923 0.769 CB 1.464 14 residues pruned to eliminate duplicates Z: 12 16.209 1.709 0.797 0.794 1.000 0.636 CA 1.230 12 residues pruned to eliminate duplicates Z: 10 20.116 1.971 0.803 0.912 1.000 1.000 CB 1.336 Z: 14 17.490 1.833 0.665 0.905 0.923 0.538 CB 1.225 14 residues pruned to eliminate duplicates Z: 17 32.452 1.848 1.133 0.922 1.000 0.938 CA 1.448 18 residues pruned to eliminate duplicates Z: 19 26.368 1.781 0.946 0.914 1.000 0.889 CA 1.267 9 residues pruned to eliminate duplicates Z: 26 11.765 1.761 0.948 0.343 0.840 0.600 CB 0.969 Z: 16 29.729 1.864 0.985 0.951 1.000 0.933 CA 1.430 16 residues pruned to eliminate duplicates Z: 19 22.942 1.830 0.681 0.851 1.000 0.778 CB 1.301 19 residues pruned to eliminate duplicates Z: 7 11.832 1.788 0.746 0.856 1.000 0.667 CB 1.141 7 residues pruned to eliminate duplicates Z: 9 17.867 1.673 1.408 0.723 0.875 0.625 C 1.466 9 residues pruned to eliminate duplicates Z: 15 22.241 1.909 0.599 0.910 0.929 0.929 CA 1.487 15 residues pruned to eliminate duplicates Z: 19 18.428 1.885 0.714 0.777 0.944 0.611 CB 1.115 19 residues pruned to eliminate duplicates Z: 12 9.957 1.832 0.549 0.565 1.000 0.636 CB 0.993 Z: 17 35.476 1.857 1.193 0.933 1.000 0.812 N 1.519 18 residues pruned to eliminate duplicates Z: 18 11.661 1.810 0.835 0.373 0.941 0.647 CB 1.036 Z: 19 20.170 1.898 0.897 0.756 0.944 0.611 CB 1.113 17 residues pruned to eliminate duplicates Z: 17 28.487 1.772 0.945 0.945 1.000 0.938 CA 1.429 16 residues pruned to eliminate duplicates Z: 16 23.890 1.856 0.793 0.937 1.000 0.933 CA 1.289 16 residues pruned to eliminate duplicates Z: 18 27.906 1.832 0.962 0.905 1.000 0.765 CA 1.339 18 residues pruned to eliminate duplicates Z: 10 12.459 1.549 0.876 0.696 1.000 0.778 C 1.195 Z: 18 31.769 1.914 1.051 0.941 0.941 0.882 CA 1.447 19 residues pruned to eliminate duplicates Z: 19 22.870 1.800 0.727 0.793 0.944 0.611 CB 1.420 19 residues pruned to eliminate duplicates Z: 17 28.678 1.814 0.958 0.949 1.000 1.000 CA 1.394 17 residues pruned to eliminate duplicates Z: 32 20.263 1.770 0.690 0.597 0.903 0.710 CB 1.228 14 residues pruned to eliminate duplicates Z: 11 19.123 1.979 0.901 0.863 0.900 0.600 CB 1.311 11 residues pruned to eliminate duplicates Z: 19 29.209 1.805 1.044 0.901 1.000 0.778 CA 1.332 18 residues pruned to eliminate duplicates Z: 16 20.617 1.776 0.974 0.912 1.000 0.733 CB 1.075 16 residues pruned to eliminate duplicates Z: 13 15.351 1.765 0.495 0.886 1.000 0.917 CB 1.212 Z: 15 17.603 1.829 0.427 0.895 1.000 0.929 CA 1.292 14 residues pruned to eliminate duplicates Z: 19 22.150 1.707 0.907 0.937 1.000 0.944 CA 1.116 18 residues pruned to eliminate duplicates Z: 14 29.056 1.869 1.165 0.905 0.923 0.615 CA 1.535 14 residues pruned to eliminate duplicates Z: 9 4.699 1.574 0.356 0.593 0.750 0.500 CB 0.949 Z: 12 14.283 1.743 0.764 0.757 1.000 0.455 CA 1.114 12 residues pruned to eliminate duplicates Z: 20 24.222 1.745 0.925 0.861 1.000 0.789 CB 1.216 19 residues pruned to eliminate duplicates Z: 60 33.138 1.834 0.931 0.529 0.932 0.678 CB 1.269 28 residues pruned to eliminate duplicates Z: 8 7.787 1.417 0.798 0.759 1.000 0.714 C 0.917 8 residues pruned to eliminate duplicates Z: 15 16.298 1.830 0.526 0.858 0.929 0.857 CB 1.237 15 residues pruned to eliminate duplicates Z: 7 12.990 1.729 0.851 0.878 1.000 0.667 CA 1.203 7 residues pruned to eliminate duplicates Z: 14 23.779 1.925 0.607 0.929 1.000 0.846 CB 1.492 14 residues pruned to eliminate duplicates Z: 14 9.232 1.750 0.386 0.480 0.923 0.462 CB 1.167 Z: 17 21.167 1.739 0.705 0.924 1.000 0.938 CA 1.253 17 residues pruned to eliminate duplicates Z: 14 21.985 1.853 0.901 0.877 1.000 0.692 CB 1.257 Z: 11 6.771 1.693 0.480 0.437 0.800 0.500 CB 1.140 Z: 16 25.101 1.880 0.746 0.929 0.933 0.867 CA 1.480 16 residues pruned to eliminate duplicates Z: 12 4.025 1.541 0.163 0.409 0.727 0.182 CB 1.025 Z: 18 18.887 1.884 0.708 0.655 0.941 0.706 CB 1.309 18 residues pruned to eliminate duplicates Z: 19 29.220 1.939 0.920 0.815 0.944 0.833 CA 1.490 15 residues pruned to eliminate duplicates Z: 14 12.484 1.865 0.283 0.911 1.000 1.000 CA 1.026 14 residues pruned to eliminate duplicates Z: 20 10.997 1.733 0.778 0.309 0.842 0.579 CB 1.202 Z: 18 21.977 1.963 0.575 0.811 0.882 0.765 CA 1.490 18 residues pruned to eliminate duplicates Z: 26 15.166 1.858 0.528 0.448 0.800 0.600 CB 1.408 21 residues pruned to eliminate duplicates Z: 15 14.343 1.579 0.833 0.863 0.929 0.429 CB 1.046 32 residues pruned to eliminate duplicates Z: 13 20.643 1.930 0.625 0.924 1.000 0.917 CA 1.334 13 residues pruned to eliminate duplicates Z: 13 7.079 1.610 0.531 0.428 0.917 0.500 CB 0.974 Z: 11 18.702 1.841 1.004 0.871 0.900 0.800 CA 1.299 11 residues pruned to eliminate duplicates Z: 14 15.538 1.550 0.977 0.907 1.000 0.846 CB 1.000 Z: 16 33.315 1.851 1.212 0.915 0.933 0.667 CA 1.591 16 residues pruned to eliminate duplicates Z: 13 18.373 1.769 0.586 0.891 1.000 1.000 CA 1.359 12 residues pruned to eliminate duplicates Z: 14 23.318 1.966 0.755 0.934 1.000 1.000 CA 1.308 14 residues pruned to eliminate duplicates Z: 15 19.926 1.755 0.927 0.904 0.929 0.857 CB 1.207 15 residues pruned to eliminate duplicates Z: 28 13.803 1.785 0.543 0.399 0.852 0.444 CA 1.258 21 residues pruned to eliminate duplicates Z: 26 20.672 1.860 0.771 0.568 0.880 0.760 CA 1.335 21 residues pruned to eliminate duplicates Z: 18 6.365 1.613 0.365 0.342 0.824 0.647 CB 1.011 18 residues pruned to eliminate duplicates Z: 16 28.364 1.843 1.116 0.935 1.000 0.733 CA 1.309 Z: 17 6.680 1.551 0.428 0.286 0.938 0.500 CB 1.024 Z: 7 10.104 1.626 0.707 0.829 1.000 0.833 CA 1.119 Z: 19 22.295 1.699 0.812 0.946 1.000 1.000 CA 1.180 19 residues pruned to eliminate duplicates Z: 17 10.433 1.663 0.578 0.369 0.938 0.750 CB 1.220 12 residues pruned to eliminate duplicates Z: 19 10.575 1.856 0.476 0.463 0.944 0.611 CB 1.001 19 residues pruned to eliminate duplicates Z: 17 27.497 1.850 0.903 0.920 1.000 0.875 CA 1.375 17 residues pruned to eliminate duplicates Z: 17 25.768 1.797 0.914 0.934 1.000 0.938 CA 1.306 17 residues pruned to eliminate duplicates Z: 18 28.470 1.772 1.059 0.931 1.000 0.882 CB 1.323 18 residues pruned to eliminate duplicates Z: 18 19.970 1.716 0.595 0.930 1.000 0.941 CA 1.238 17 residues pruned to eliminate duplicates Z: 17 8.949 1.673 0.531 0.439 0.938 0.562 CB 0.993 Z: 9 10.707 1.501 0.797 0.716 1.000 0.750 N 1.154 9 residues pruned to eliminate duplicates Z: 31 24.122 1.908 0.779 0.612 0.900 0.700 CB 1.296 38 residues pruned to eliminate duplicates Z: 12 17.491 1.801 1.059 0.895 1.000 0.727 CB 1.019 13 residues pruned to eliminate duplicates Z: 14 14.309 1.744 0.722 0.751 0.923 0.846 CA 1.144 14 residues pruned to eliminate duplicates Z: 16 19.125 1.807 0.604 0.933 1.000 0.933 CB 1.189 16 residues pruned to eliminate duplicates Z: 26 14.279 1.763 0.583 0.493 0.920 0.760 CB 1.120 11 residues pruned to eliminate duplicates Z: 18 22.292 2.007 0.656 0.824 0.941 0.765 CB 1.306 18 residues pruned to eliminate duplicates Z: 14 18.262 1.886 0.728 0.908 1.000 0.923 CA 1.103 14 residues pruned to eliminate duplicates Z: 17 21.711 1.749 1.036 0.912 0.938 0.750 CB 1.152 17 residues pruned to eliminate duplicates Z: 15 22.247 1.841 0.691 0.926 1.000 0.929 CA 1.339 15 residues pruned to eliminate duplicates Z: 13 17.742 1.887 0.613 0.892 1.000 0.917 CA 1.209 13 residues pruned to eliminate duplicates Z: 11 16.150 1.765 0.830 0.838 0.900 0.400 CB 1.312 Z: 6 4.490 1.610 0.434 0.540 0.800 0.600 O 1.045 Z: 8 7.837 1.699 0.381 0.492 1.000 0.429 CB 1.272 Z: 14 24.949 1.952 0.835 0.881 1.000 0.692 CB 1.399 14 residues pruned to eliminate duplicates Z: 6 7.897 1.598 0.418 0.816 1.000 0.800 CA 1.185 Z: 13 16.476 1.740 0.475 0.928 1.000 1.000 CB 1.297 13 residues pruned to eliminate duplicates Z: 20 23.081 1.854 0.542 0.787 1.000 0.684 CB 1.439 20 residues pruned to eliminate duplicates Z: 23 24.877 1.815 1.086 0.628 1.000 0.591 CB 1.241 8 residues pruned to eliminate duplicates Z: 19 25.778 1.737 1.272 0.931 0.944 0.889 CB 1.140 19 residues pruned to eliminate duplicates Z: 7 11.526 1.678 0.613 0.787 1.000 1.000 CA 1.351 6 residues pruned to eliminate duplicates Z: 9 4.490 1.566 0.372 0.194 0.875 0.625 CB 1.218 Z: 19 31.135 1.724 1.136 0.901 1.000 0.833 CA 1.423 19 residues pruned to eliminate duplicates Z: 20 20.446 1.841 0.563 0.769 1.000 0.789 CA 1.285 19 residues pruned to eliminate duplicates Z: 32 18.998 1.869 0.593 0.531 0.903 0.581 CB 1.231 26 residues pruned to eliminate duplicates Z: 16 30.064 1.867 1.062 0.933 1.000 0.933 CA 1.407 16 residues pruned to eliminate duplicates Z: 13 7.015 1.644 0.337 0.338 0.917 0.667 CB 1.199 Z: 16 23.259 1.897 0.477 0.914 1.000 0.933 CA 1.516 16 residues pruned to eliminate duplicates Z: 17 27.618 1.861 0.828 0.919 1.000 0.812 CA 1.431 17 residues pruned to eliminate duplicates Z: 20 30.518 2.084 0.755 0.739 1.000 0.842 CB 1.545 34 residues pruned to eliminate duplicates Z: 6 5.892 1.544 0.680 0.609 0.800 0.600 CB 1.145 Z: 10 14.742 1.942 0.676 0.794 0.889 0.778 CA 1.313 10 residues pruned to eliminate duplicates Z: 14 26.678 1.860 1.283 0.928 1.000 0.769 CB 1.220 14 residues pruned to eliminate duplicates Z: 16 15.246 1.514 0.784 0.869 1.000 0.733 CB 1.065 14 residues pruned to eliminate duplicates Z: 11 13.510 1.796 0.421 0.849 0.900 0.800 CB 1.379 11 residues pruned to eliminate duplicates Z: 6 2.864 1.529 0.396 0.422 0.800 0.400 N 0.813 Z: 17 19.786 1.829 0.560 0.843 1.000 0.938 CA 1.290 17 residues pruned to eliminate duplicates Z: 14 20.070 1.807 0.770 0.860 1.000 0.769 CB 1.280 14 residues pruned to eliminate duplicates Z: 14 15.220 1.863 0.463 0.857 0.923 0.846 CA 1.236 14 residues pruned to eliminate duplicates Z: 14 20.859 1.871 0.716 0.925 1.000 0.846 CB 1.265 14 residues pruned to eliminate duplicates Z: 10 10.249 1.618 0.629 0.819 1.000 0.778 CB 0.983 Z: 16 26.402 1.818 0.951 0.908 1.000 0.867 CA 1.365 16 residues pruned to eliminate duplicates Z: 9 17.461 1.745 1.006 0.897 1.000 0.875 CB 1.262 9 residues pruned to eliminate duplicates Z: 31 20.617 1.924 0.847 0.545 0.867 0.667 CB 1.169 31 residues pruned to eliminate duplicates Z: 15 24.578 1.865 0.888 0.892 1.000 0.643 CA 1.341 15 residues pruned to eliminate duplicates Z: 6 9.756 1.758 0.365 0.774 1.000 0.800 CB 1.426 3 residues pruned to eliminate duplicates Z: 16 23.440 1.875 0.897 0.931 0.933 0.800 CB 1.274 16 residues pruned to eliminate duplicates Z: 13 19.345 1.863 0.750 0.881 1.000 0.833 CB 1.241 12 residues pruned to eliminate duplicates Z: 16 34.953 1.906 1.181 0.916 1.000 0.667 CA 1.533 16 residues pruned to eliminate duplicates Z: 17 23.783 1.754 0.928 0.920 1.000 0.812 CA 1.239 17 residues pruned to eliminate duplicates Z: 16 21.265 1.792 0.704 0.857 1.000 0.800 CB 1.325 16 residues pruned to eliminate duplicates Z: 9 7.008 1.767 0.422 0.518 0.875 0.625 CA 1.107 Z: 15 18.188 1.831 0.576 0.926 0.929 0.929 CB 1.272 15 residues pruned to eliminate duplicates Z: 17 17.360 1.848 0.844 0.687 0.938 0.375 CB 1.144 17 residues pruned to eliminate duplicates Z: 19 17.732 1.694 0.963 0.759 0.944 0.667 CB 1.056 19 residues pruned to eliminate duplicates Z: 6 10.601 1.550 0.773 0.875 1.000 1.000 CA 1.255 2 residues pruned to eliminate duplicates Z: 20 9.060 1.597 0.632 0.287 0.895 0.579 CB 1.133 Z: 13 28.009 1.962 0.989 0.939 1.000 0.917 CA 1.440 13 residues pruned to eliminate duplicates Z: 6 3.511 1.567 -0.007 0.786 0.800 0.600 N 0.981 Z: 7 16.360 1.789 0.843 0.890 1.000 1.000 CB 1.458 Z: 17 28.257 1.890 1.032 0.877 0.938 0.812 CA 1.425 17 residues pruned to eliminate duplicates Z: 14 7.946 1.725 0.514 0.303 0.923 0.538 CB 1.138 14 residues pruned to eliminate duplicates Z: 14 19.963 1.937 0.982 0.880 0.923 0.769 CB 1.132 14 residues pruned to eliminate duplicates Z: 14 7.343 1.577 0.552 0.375 1.000 0.385 CB 0.951 Z: 18 21.082 1.868 0.783 0.800 1.000 0.824 CB 1.180 18 residues pruned to eliminate duplicates Z: 19 31.430 1.725 1.306 0.866 0.944 0.722 CB 1.444 19 residues pruned to eliminate duplicates Z: 14 24.572 1.931 1.031 0.908 0.923 0.769 CA 1.337 14 residues pruned to eliminate duplicates Z: 19 19.891 1.905 0.716 0.772 0.944 0.667 CB 1.194 19 residues pruned to eliminate duplicates Z: 17 18.701 1.728 0.739 0.860 0.938 0.625 CB 1.220 17 residues pruned to eliminate duplicates Z: 9 4.349 1.483 0.474 0.321 0.750 0.375 CB 1.142 Z: 6 4.053 1.440 0.401 0.583 1.000 0.600 N 0.829 Z: 6 7.332 1.677 0.450 0.860 0.800 0.600 CA 1.240 6 residues pruned to eliminate duplicates Z: 13 9.907 1.786 0.472 0.507 0.917 0.583 CB 1.179 13 residues pruned to eliminate duplicates Z: 34 14.522 1.714 0.617 0.475 0.788 0.545 CB 1.187 22 residues pruned to eliminate duplicates Z: 9 6.425 1.771 0.414 0.383 0.750 0.500 CA 1.370 9 residues pruned to eliminate duplicates Z: 7 10.183 1.588 0.437 0.876 1.000 0.500 CA 1.324 6 residues pruned to eliminate duplicates Z: 33 19.877 1.859 0.665 0.549 0.812 0.656 CB 1.332 42 residues pruned to eliminate duplicates Z: 18 19.285 1.910 0.529 0.745 0.941 0.706 CA 1.367 18 residues pruned to eliminate duplicates Z: 15 18.621 1.865 0.425 0.922 1.000 0.929 CB 1.317 15 residues pruned to eliminate duplicates Z: 15 20.692 1.841 0.651 0.821 1.000 0.714 CA 1.377 15 residues pruned to eliminate duplicates Z: 14 25.166 1.946 1.014 0.898 0.923 0.846 CB 1.380 15 residues pruned to eliminate duplicates Z: 19 20.189 1.846 0.656 0.809 0.889 0.611 CB 1.339 19 residues pruned to eliminate duplicates Z: 17 26.024 1.852 0.920 0.942 1.000 0.812 CB 1.269 16 residues pruned to eliminate duplicates Z: 19 24.933 1.747 1.107 0.890 0.889 0.722 CA 1.292 19 residues pruned to eliminate duplicates Z: 10 9.397 1.786 0.869 0.492 0.889 0.778 CA 1.064 10 residues pruned to eliminate duplicates Z: 31 14.479 1.701 0.777 0.492 0.800 0.433 CB 1.102 17 residues pruned to eliminate duplicates Z: 9 6.470 1.644 0.310 0.527 1.000 0.625 CB 1.034 6 residues pruned to eliminate duplicates Z: 7 3.310 1.594 0.212 0.482 0.833 0.500 CB 0.854 7 residues pruned to eliminate duplicates Z: 15 19.759 1.905 0.434 0.930 1.000 0.929 CB 1.353 15 residues pruned to eliminate duplicates Z: 27 16.206 1.768 0.789 0.514 0.885 0.615 CB 1.120 26 residues pruned to eliminate duplicates Z: 12 11.045 1.776 0.659 0.459 0.909 0.455 CB 1.296 Z: 8 6.241 1.547 0.503 0.683 0.857 0.571 CA 1.001 Z: 6 6.745 1.450 0.674 0.698 1.000 0.800 N 1.037 Z: 13 19.714 1.878 0.655 0.890 0.917 0.833 CA 1.437 13 residues pruned to eliminate duplicates Z: 36 21.141 1.887 0.549 0.461 0.914 0.600 CB 1.392 36 residues pruned to eliminate duplicates Z: 10 6.245 1.593 0.876 0.395 0.778 0.667 CB 1.001 Z: 7 8.995 1.670 0.579 0.744 0.833 0.667 CB 1.344 8 residues pruned to eliminate duplicates Z: 7 5.165 1.564 0.504 0.549 0.833 0.500 CB 1.026 Z: 15 22.227 1.871 0.461 0.934 1.000 0.857 CB 1.515 15 residues pruned to eliminate duplicates Z: 8 10.032 1.634 0.788 0.876 0.857 0.714 CA 1.100 8 residues pruned to eliminate duplicates Z: 15 9.276 1.610 0.183 0.909 0.929 0.714 CB 0.995 15 residues pruned to eliminate duplicates Z: 32 11.221 1.673 0.483 0.382 0.774 0.419 CB 1.190 21 residues pruned to eliminate duplicates Z: 15 14.726 1.731 0.546 0.778 0.929 0.714 CB 1.240 15 residues pruned to eliminate duplicates Z: 12 7.638 1.783 0.514 0.362 0.909 0.636 CB 1.089 12 residues pruned to eliminate duplicates Z: 16 26.106 1.868 1.086 0.918 1.000 0.733 CB 1.220 16 residues pruned to eliminate duplicates Z: 18 20.733 1.696 1.075 0.896 0.941 0.765 CB 1.088 18 residues pruned to eliminate duplicates Z: 13 16.208 1.791 0.428 0.902 1.000 0.917 CB 1.306 13 residues pruned to eliminate duplicates Z: 14 15.569 1.786 0.364 0.911 0.923 0.769 CB 1.361 14 residues pruned to eliminate duplicates Z: 16 17.400 1.763 0.879 0.790 0.867 0.733 CB 1.214 16 residues pruned to eliminate duplicates Z: 10 14.548 1.889 0.449 0.895 1.000 0.778 CA 1.270 10 residues pruned to eliminate duplicates Z: 11 11.653 1.736 0.737 0.837 0.900 0.700 CB 1.016 Z: 13 20.487 1.880 0.835 0.835 0.917 0.667 CB 1.400 11 residues pruned to eliminate duplicates Z: 19 21.934 1.695 0.743 0.906 1.000 0.833 CB 1.245 19 residues pruned to eliminate duplicates Z: 8 18.726 1.876 0.954 0.906 1.000 0.857 CB 1.374 8 residues pruned to eliminate duplicates Z: 8 3.377 1.466 0.485 0.345 0.714 0.429 N 0.972 Z: 9 6.533 1.661 0.806 0.343 0.875 0.375 CB 1.043 9 residues pruned to eliminate duplicates Z: 27 18.653 1.725 0.613 0.726 0.885 0.577 CA 1.212 27 residues pruned to eliminate duplicates Z: 6 6.183 1.515 0.592 0.540 1.000 0.600 O 1.102 Z: 16 22.098 2.056 0.782 0.864 0.933 0.667 CB 1.223 16 residues pruned to eliminate duplicates Z: 14 25.353 2.038 0.650 0.899 1.000 0.846 CB 1.494 12 residues pruned to eliminate duplicates Z: 24 21.889 1.822 0.769 0.625 0.870 0.696 CB 1.448 24 residues pruned to eliminate duplicates Z: 27 13.395 1.743 0.553 0.406 0.846 0.500 CB 1.266 25 residues pruned to eliminate duplicates Z: 17 18.299 1.724 0.588 0.826 1.000 0.812 CB 1.261 17 residues pruned to eliminate duplicates Z: 11 13.733 1.757 0.693 0.756 0.900 0.600 CB 1.291 11 residues pruned to eliminate duplicates 6 1.994 1.574 0.325 0.477 0.400 0.400 CB 1.095 ? Z: 9 6.397 1.622 0.369 0.494 0.875 0.500 CB 1.172 6 residues pruned to eliminate duplicates Z: 21 8.687 1.656 0.578 0.300 0.750 0.400 CB 1.239 21 residues pruned to eliminate duplicates Z: 14 16.955 1.808 0.440 0.925 1.000 0.923 CA 1.267 14 residues pruned to eliminate duplicates Z: 18 7.976 1.572 0.612 0.491 0.824 0.588 CB 0.936 Z: 7 15.624 1.871 1.050 0.882 1.000 1.000 CB 1.204 7 residues pruned to eliminate duplicates Z: 7 8.944 1.719 0.995 0.885 1.000 0.833 CB 0.768 7 residues pruned to eliminate duplicates Z: 6 5.805 1.591 0.286 0.834 1.000 1.000 CB 0.951 Z: 11 14.597 1.791 0.508 0.841 1.000 0.700 CB 1.275 Z: 10 14.986 1.982 0.640 0.897 1.000 0.889 CA 1.100 10 residues pruned to eliminate duplicates Z: 14 16.879 1.838 0.692 0.825 0.846 0.538 CB 1.342 14 residues pruned to eliminate duplicates Z: 11 7.958 1.730 0.305 0.410 0.900 0.600 N 1.361 11 residues pruned to eliminate duplicates Z: 17 27.926 1.827 1.194 0.911 0.875 0.875 CA 1.410 17 residues pruned to eliminate duplicates Z: 9 5.337 1.575 0.784 0.246 0.750 0.375 O 1.200 7 residues pruned to eliminate duplicates Z: 6 3.709 1.534 0.393 0.814 1.000 0.800 CB 0.591 Z: 12 16.616 1.739 0.726 0.855 1.000 0.909 CB 1.232 11 residues pruned to eliminate duplicates Z: 18 19.270 1.840 0.838 0.791 0.941 0.647 CB 1.137 18 residues pruned to eliminate duplicates Z: 11 12.897 1.717 0.638 0.907 1.000 0.700 CB 1.031 Z: 18 14.753 1.733 0.425 0.812 0.941 0.765 CB 1.173 18 residues pruned to eliminate duplicates Z: 7 3.765 1.396 0.270 0.396 1.000 0.500 CB 0.969 Z: 17 25.161 1.738 0.871 0.945 1.000 0.938 CA 1.338 17 residues pruned to eliminate duplicates Z: 9 8.448 1.705 0.462 0.909 1.000 0.875 CB 0.850 9 residues pruned to eliminate duplicates Z: 8 10.220 1.691 0.520 0.860 1.000 0.857 CB 1.105 Z: 13 9.521 1.546 0.585 0.526 0.833 0.500 CB 1.312 Z: 22 14.491 1.800 0.573 0.473 0.905 0.619 CB 1.268 7 residues pruned to eliminate duplicates Z: 19 24.627 1.704 0.924 0.905 0.944 0.833 CA 1.335 19 residues pruned to eliminate duplicates Z: 29 20.873 1.848 0.928 0.507 0.893 0.679 CB 1.231 29 residues pruned to eliminate duplicates Z: 8 8.240 1.888 0.446 0.592 0.857 0.857 CB 1.219 8 residues pruned to eliminate duplicates Z: 9 6.661 1.584 0.359 0.851 1.000 0.750 CB 0.810 Z: 17 16.628 1.835 0.361 0.918 0.875 0.875 CB 1.342 17 residues pruned to eliminate duplicates Z: 11 11.994 1.840 0.388 0.804 1.000 0.500 CB 1.139 11 residues pruned to eliminate duplicates Z: 16 32.823 1.852 1.242 0.938 1.000 0.933 CA 1.419 19 residues pruned to eliminate duplicates Z: 10 10.823 1.681 0.546 0.878 1.000 0.667 CB 1.007 9 residues pruned to eliminate duplicates Z: 13 12.657 1.643 0.450 0.840 1.000 0.583 CB 1.145 12 residues pruned to eliminate duplicates Z: 14 22.161 1.830 0.995 0.925 1.000 0.923 CB 1.182 14 residues pruned to eliminate duplicates Z: 15 7.546 1.611 0.472 0.428 1.000 0.643 CB 0.917 15 residues pruned to eliminate duplicates Z: 17 23.118 1.934 0.560 0.825 1.000 0.750 CB 1.446 17 residues pruned to eliminate duplicates Z: 7 8.661 1.410 0.793 0.696 1.000 0.500 CA 1.170 7 residues pruned to eliminate duplicates Z: 14 15.312 1.762 0.543 0.804 0.923 0.769 CA 1.297 14 residues pruned to eliminate duplicates Z: 9 8.441 1.587 1.153 0.617 0.750 0.625 CB 1.042 Z: 23 18.456 1.804 0.728 0.528 0.955 0.591 CB 1.287 23 residues pruned to eliminate duplicates Z: 12 14.939 1.689 0.458 0.880 1.000 0.818 CB 1.325 12 residues pruned to eliminate duplicates Z: 9 14.979 1.729 0.852 0.892 1.000 0.875 CB 1.188 9 residues pruned to eliminate duplicates Z: 13 22.017 1.908 0.794 0.895 1.000 0.750 CA 1.331 13 residues pruned to eliminate duplicates Z: 13 13.328 1.648 0.508 0.882 1.000 0.833 CB 1.120 12 residues pruned to eliminate duplicates Z: 13 13.896 1.843 0.544 0.765 0.917 0.667 CA 1.216 11 residues pruned to eliminate duplicates Z: 8 3.726 1.480 0.347 0.344 0.857 0.571 CB 0.977 Z: 11 13.659 1.791 0.462 0.832 0.900 0.900 CB 1.376 11 residues pruned to eliminate duplicates Z: 13 11.253 1.626 0.667 0.894 0.833 0.500 CB 1.032 13 residues pruned to eliminate duplicates Z: 30 14.178 1.692 0.529 0.460 0.897 0.414 CB 1.183 15 residues pruned to eliminate duplicates Z: 9 4.749 1.675 0.289 0.509 0.750 0.500 CB 1.027 9 residues pruned to eliminate duplicates Z: 20 13.064 1.799 0.709 0.555 0.842 0.684 CB 1.097 20 residues pruned to eliminate duplicates Z: 19 20.982 1.804 0.690 0.738 0.944 0.556 CA 1.388 19 residues pruned to eliminate duplicates Z: 16 15.012 1.700 0.626 0.906 0.933 0.733 CB 1.069 16 residues pruned to eliminate duplicates Z: 7 5.404 1.500 0.905 0.579 0.667 0.333 CA 1.074 7 residues pruned to eliminate duplicates Z: 12 10.162 1.527 0.526 0.855 0.909 0.727 CB 1.068 8 residues pruned to eliminate duplicates Z: 6 9.395 1.684 0.513 0.706 1.000 0.800 CA 1.367 6 residues pruned to eliminate duplicates Z: 8 10.047 1.689 0.557 0.801 0.857 0.429 CB 1.295 8 residues pruned to eliminate duplicates Z: 17 23.598 1.942 0.735 0.870 1.000 0.625 CB 1.278 16 residues pruned to eliminate duplicates Z: 8 3.134 1.581 0.325 0.427 0.714 0.429 CB 0.854 9 residues pruned to eliminate duplicates Z: 12 7.612 1.550 0.653 0.363 1.000 0.364 CB 1.038 11 residues pruned to eliminate duplicates Z: 26 16.304 1.777 0.544 0.516 0.840 0.480 CB 1.392 26 residues pruned to eliminate duplicates Z: 18 18.043 1.738 0.918 0.885 0.882 0.882 CB 1.074 14 residues pruned to eliminate duplicates Z: 10 7.880 1.642 0.413 0.841 1.000 0.667 CB 0.844 Z: 17 15.434 1.871 0.415 0.767 0.875 0.812 CB 1.315 17 residues pruned to eliminate duplicates Z: 18 15.888 1.699 0.726 0.840 0.941 0.647 CB 1.042 18 residues pruned to eliminate duplicates Z: 6 2.597 1.389 0.665 0.334 1.000 0.600 N 0.602 Z: 13 10.149 1.540 0.527 0.829 0.917 0.833 CA 1.022 13 residues pruned to eliminate duplicates Z: 6 4.637 1.736 -0.089 0.670 1.000 0.800 CB 1.120 Z: 14 22.555 1.842 0.938 0.934 1.000 0.846 CB 1.222 14 residues pruned to eliminate duplicates Z: 15 17.729 1.753 0.440 0.907 1.000 0.857 CB 1.334 15 residues pruned to eliminate duplicates Z: 9 7.693 1.717 0.397 0.897 1.000 0.625 CB 0.812 9 residues pruned to eliminate duplicates Z: 18 24.673 1.747 0.988 0.904 0.941 0.765 CA 1.304 18 residues pruned to eliminate duplicates Z: 12 3.848 1.629 0.251 0.325 0.727 0.545 CB 0.949 12 residues pruned to eliminate duplicates Z: 16 23.073 1.732 0.972 0.934 1.000 0.800 CB 1.216 16 residues pruned to eliminate duplicates Z: 6 6.926 1.507 0.786 0.629 0.800 0.800 CB 1.274 Z: 21 16.826 1.683 0.735 0.745 0.800 0.450 CB 1.293 21 residues pruned to eliminate duplicates Z: 20 16.179 1.640 0.751 0.571 0.947 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 7 3.515 1.639 0.028 0.414 0.833 0.500 CB 1.119 Z: 7 6.018 1.657 0.771 0.463 0.833 0.667 CB 1.043 7 residues pruned to eliminate duplicates Z: 28 12.866 1.693 0.440 0.512 0.963 0.741 CB 1.042 28 residues pruned to eliminate duplicates Z: 19 25.444 1.854 0.866 0.907 0.944 0.833 CA 1.305 19 residues pruned to eliminate duplicates Z: 9 7.942 1.602 0.414 0.636 1.000 0.500 CB 1.091 9 residues pruned to eliminate duplicates Z: 13 5.119 1.611 0.518 0.276 0.833 0.417 CB 0.935 Z: 10 4.014 1.609 0.232 0.281 0.778 0.556 CA 1.111 Z: 7 5.765 1.548 0.422 0.434 1.000 0.667 CB 1.145 6 residues pruned to eliminate duplicates Z: 11 15.393 1.862 0.723 0.861 1.000 0.900 CB 1.114 11 residues pruned to eliminate duplicates Z: 13 10.767 1.691 0.617 0.496 0.917 0.750 CB 1.245 Z: 25 12.652 1.742 0.510 0.466 0.792 0.542 CB 1.284 25 residues pruned to eliminate duplicates Z: 10 14.977 1.996 0.440 0.823 1.000 0.889 CA 1.313 10 residues pruned to eliminate duplicates Z: 27 12.655 1.726 0.463 0.490 0.923 0.692 CB 1.076 27 residues pruned to eliminate duplicates Z: 16 29.694 1.861 1.121 0.940 1.000 0.867 CB 1.349 16 residues pruned to eliminate duplicates Z: 14 16.529 1.818 0.550 0.914 0.923 0.769 CB 1.246 14 residues pruned to eliminate duplicates Z: 12 11.210 1.761 0.604 0.550 1.000 0.909 CB 1.140 4 residues pruned to eliminate duplicates Z: 17 23.097 1.766 0.730 0.935 1.000 0.938 CA 1.318 17 residues pruned to eliminate duplicates Z: 7 5.029 1.550 0.541 0.407 0.833 0.500 CB 1.138 Z: 11 5.312 1.601 0.605 0.360 0.800 0.500 CB 0.950 11 residues pruned to eliminate duplicates Z: 14 19.717 1.846 0.691 0.927 1.000 0.769 CB 1.228 14 residues pruned to eliminate duplicates Z: 10 6.196 1.723 0.390 0.433 0.889 0.556 CB 1.040 10 residues pruned to eliminate duplicates 6 1.122 1.567 -0.123 0.298 0.800 0.600 CB 0.572 ? Z: 10 13.387 1.832 0.852 0.585 1.000 0.556 CB 1.212 10 residues pruned to eliminate duplicates Z: 12 3.780 1.506 0.323 0.259 0.636 0.364 CA 1.184 12 residues pruned to eliminate duplicates Z: 14 24.203 1.823 1.172 0.935 1.000 0.615 CB 1.181 14 residues pruned to eliminate duplicates Z: 12 16.835 1.929 0.319 0.924 1.000 1.000 CA 1.401 12 residues pruned to eliminate duplicates Z: 11 9.273 1.713 0.213 0.854 1.000 0.800 CB 1.042 Z: 18 17.860 1.734 0.762 0.783 0.941 0.588 CB 1.174 18 residues pruned to eliminate duplicates Z: 20 8.093 1.533 0.438 0.502 0.895 0.474 CB 0.940 10 residues pruned to eliminate duplicates Z: 11 10.010 1.906 0.259 0.839 0.900 0.900 CA 1.095 11 residues pruned to eliminate duplicates Z: 9 3.498 1.488 0.516 0.237 0.625 0.500 N 1.190 Z: 10 9.477 1.646 1.053 0.537 0.778 0.556 CB 1.159 10 residues pruned to eliminate duplicates Z: 17 30.620 1.866 1.242 0.904 1.000 0.812 CB 1.303 17 residues pruned to eliminate duplicates Z: 12 13.650 1.733 0.670 0.836 1.000 0.636 CB 1.065 12 residues pruned to eliminate duplicates Z: 10 3.708 1.549 0.447 0.895 1.000 0.778 CB 0.395 Z: 9 12.205 1.511 0.587 0.863 1.000 0.750 CB 1.320 Z: 17 28.091 1.789 1.159 0.899 0.938 0.750 CB 1.386 17 residues pruned to eliminate duplicates Z: 7 2.342 1.220 0.283 0.658 0.667 0.333 N 0.791 Z: 17 27.791 1.868 0.996 0.926 1.000 0.688 CA 1.307 17 residues pruned to eliminate duplicates Z: 30 14.408 1.676 0.491 0.484 0.931 0.552 CB 1.169 28 residues pruned to eliminate duplicates Z: 9 11.512 1.669 0.293 0.831 1.000 0.875 CA 1.417 Z: 27 13.073 1.708 0.523 0.421 0.808 0.577 CB 1.324 27 residues pruned to eliminate duplicates Z: 10 9.696 1.588 0.594 0.614 0.889 0.444 CA 1.289 8 residues pruned to eliminate duplicates Z: 10 7.066 1.322 0.449 0.740 1.000 0.667 CB 0.992 Z: 11 14.288 1.858 0.578 0.856 0.900 0.500 CB 1.262 11 residues pruned to eliminate duplicates Z: 7 4.637 1.604 0.474 0.435 0.833 0.667 CB 1.027 Z: 9 13.242 1.649 0.737 0.862 1.000 0.875 CB 1.200 9 residues pruned to eliminate duplicates Z: 12 15.043 1.682 0.593 0.859 1.000 0.818 CB 1.245 12 residues pruned to eliminate duplicates Z: 14 19.274 1.790 0.887 0.898 0.923 0.923 CB 1.227 14 residues pruned to eliminate duplicates Z: 10 6.765 1.670 0.543 0.353 0.889 0.667 CB 1.155 Z: 11 11.707 1.782 0.738 0.436 0.900 0.700 CA 1.420 11 residues pruned to eliminate duplicates Z: 16 20.302 1.728 0.845 0.892 1.000 0.667 CB 1.181 16 residues pruned to eliminate duplicates Z: 8 11.406 1.642 0.799 0.581 1.000 0.714 CB 1.350 7 residues pruned to eliminate duplicates Z: 6 6.793 1.426 0.782 0.882 0.800 0.600 CB 1.081 6 residues pruned to eliminate duplicates Z: 6 2.372 1.559 0.413 0.704 0.800 0.800 CB 0.500 Z: 9 5.290 1.547 0.490 0.370 0.875 0.375 CB 1.065 Z: 18 23.604 1.703 0.886 0.925 1.000 0.941 CA 1.251 18 residues pruned to eliminate duplicates Z: 6 7.510 1.817 0.382 0.476 1.000 0.600 CB 1.370 6 residues pruned to eliminate duplicates Z: 6 5.248 1.565 0.136 0.471 1.000 0.400 CA 1.361 6 1.970 1.391 0.185 0.479 0.800 0.600 CB 0.683 ? Z: 7 2.843 1.517 0.092 0.525 0.833 0.667 CB 0.820 Z: 7 12.391 1.717 0.772 0.888 1.000 1.000 CB 1.198 7 residues pruned to eliminate duplicates Z: 21 16.633 1.809 0.651 0.509 0.850 0.700 CA 1.452 21 residues pruned to eliminate duplicates Z: 6 2.792 1.340 0.278 0.828 0.600 0.600 CA 0.915 7 residues pruned to eliminate duplicates Z: 12 8.974 1.590 0.343 0.826 0.909 0.636 CB 1.051 11 residues pruned to eliminate duplicates Z: 10 6.573 1.571 0.676 0.539 0.778 0.444 N 1.030 Z: 20 13.224 1.696 0.690 0.507 0.842 0.474 CA 1.248 20 residues pruned to eliminate duplicates Z: 6 4.399 1.600 0.519 0.427 1.000 0.600 CB 0.873 6 residues pruned to eliminate duplicates Z: 18 12.427 1.751 0.512 0.571 0.882 0.706 CB 1.205 18 residues pruned to eliminate duplicates Z: 12 11.082 1.587 0.745 0.899 0.909 0.727 CA 0.949 19 residues pruned to eliminate duplicates Z: 21 16.874 1.907 0.803 0.561 0.900 0.400 CB 1.150 19 residues pruned to eliminate duplicates Z: 17 6.801 1.715 0.443 0.375 0.875 0.625 CB 0.897 19 residues pruned to eliminate duplicates Z: 11 4.844 1.767 0.644 0.327 0.800 0.500 CB 0.797 11 residues pruned to eliminate duplicates Z: 10 5.359 1.621 0.127 0.454 0.889 0.333 CB 1.154 10 residues pruned to eliminate duplicates Z: 7 4.617 1.560 0.331 0.458 0.833 0.333 CB 1.137 Z: 8 10.986 1.871 0.641 0.544 1.000 0.571 CB 1.295 10 residues pruned to eliminate duplicates Z: 21 9.934 1.609 0.749 0.264 0.900 0.500 CB 1.149 16 residues pruned to eliminate duplicates Z: 8 3.180 1.491 0.719 0.210 0.714 0.429 CA 0.924 Z: 7 6.695 1.590 0.475 0.652 1.000 0.833 CB 1.012 9 residues pruned to eliminate duplicates Z: 25 15.997 1.752 0.760 0.462 0.917 0.583 CB 1.201 13 residues pruned to eliminate duplicates Z: 7 3.339 1.583 0.213 0.253 0.667 0.667 N 1.414 7 residues pruned to eliminate duplicates Z: 9 8.664 1.515 0.382 0.879 1.000 0.875 CB 1.060 9 residues pruned to eliminate duplicates Z: 15 22.407 1.847 0.670 0.896 1.000 0.929 CA 1.390 15 residues pruned to eliminate duplicates Z: 18 16.934 1.799 0.522 0.825 1.000 0.529 CB 1.132 18 residues pruned to eliminate duplicates Z: 6 6.179 1.495 0.505 0.751 1.000 0.600 CB 0.982 Z: 7 6.238 1.501 0.540 0.823 1.000 0.500 CB 0.833 7 residues pruned to eliminate duplicates Z: 7 10.411 1.631 1.101 0.746 1.000 0.667 CB 0.995 Z: 12 13.698 1.740 0.818 0.577 1.000 0.818 CB 1.211 12 residues pruned to eliminate duplicates Z: 16 23.435 1.757 0.886 0.913 1.000 0.800 CA 1.292 16 residues pruned to eliminate duplicates Z: 8 5.470 1.598 0.383 0.465 0.714 0.571 N 1.357 8 residues pruned to eliminate duplicates Z: 6 5.444 1.597 0.545 0.482 0.800 0.600 CB 1.257 Z: 6 8.458 1.652 1.112 0.797 1.000 0.600 CB 0.836 6 residues pruned to eliminate duplicates Z: 13 12.999 1.844 0.089 0.925 1.000 0.917 CA 1.312 13 residues pruned to eliminate duplicates Z: 7 10.167 1.572 1.050 0.807 1.000 1.000 CB 0.985 7 residues pruned to eliminate duplicates Z: 12 12.833 1.706 0.598 0.861 0.909 0.545 CB 1.147 12 residues pruned to eliminate duplicates Z: 8 5.484 1.514 0.357 0.542 0.857 0.571 CB 1.129 7 residues pruned to eliminate duplicates Z: 17 22.702 1.835 0.755 0.881 0.938 0.812 CA 1.361 17 residues pruned to eliminate duplicates Z: 32 27.791 1.957 0.727 0.656 0.968 0.710 CB 1.320 32 residues pruned to eliminate duplicates Z: 9 6.800 1.487 0.819 0.749 0.875 0.875 CA 0.813 Z: 26 18.608 1.853 0.666 0.553 0.960 0.680 CB 1.193 26 residues pruned to eliminate duplicates Z: 8 11.765 1.657 0.559 0.901 1.000 0.857 CB 1.229 8 residues pruned to eliminate duplicates Z: 6 4.284 1.437 0.308 0.743 1.000 0.800 N 0.819 Z: 33 27.307 1.797 0.666 0.694 1.000 0.781 CB 1.350 31 residues pruned to eliminate duplicates Z: 11 14.330 1.874 0.860 0.594 0.900 0.900 CA 1.321 9 residues pruned to eliminate duplicates Z: 26 24.333 1.772 0.987 0.773 0.880 0.680 CB 1.234 17 residues pruned to eliminate duplicates Z: 6 3.293 1.249 0.083 0.849 1.000 0.800 N 0.807 6 residues pruned to eliminate duplicates Z: 11 7.860 1.642 0.566 0.562 0.800 0.600 CB 1.138 9 residues pruned to eliminate duplicates Z: 18 35.061 1.864 1.339 0.951 1.000 1.000 CA 1.344 18 residues pruned to eliminate duplicates Z: 15 7.083 1.517 0.422 0.512 0.786 0.571 CB 1.104 15 residues pruned to eliminate duplicates Z: 26 17.364 1.745 0.647 0.642 0.840 0.680 CB 1.259 26 residues pruned to eliminate duplicates Z: 9 5.370 1.706 0.264 0.512 1.000 0.625 CB 0.870 Z: 8 10.532 1.791 0.865 0.751 0.714 0.571 CB 1.334 8 residues pruned to eliminate duplicates Z: 6 3.046 1.509 0.538 0.322 0.600 0.600 CB 1.189 Z: 7 6.933 1.567 0.826 0.410 0.833 0.667 CA 1.304 7 residues pruned to eliminate duplicates Z: 8 6.425 1.792 0.205 0.576 0.714 0.571 O 1.464 8 residues pruned to eliminate duplicates Z: 31 19.805 1.770 0.661 0.492 0.933 0.600 CB 1.328 34 residues pruned to eliminate duplicates Z: 8 2.706 1.435 0.420 0.289 0.857 0.143 CB 0.742 Z: 13 5.972 1.599 0.531 0.391 0.750 0.417 CB 1.053 Z: 8 7.429 1.322 1.249 0.785 0.857 0.429 CA 0.857 Z: 18 7.298 1.596 0.580 0.302 0.882 0.353 CB 0.992 18 residues pruned to eliminate duplicates Z: 6 6.784 1.656 0.718 0.781 0.800 0.600 CB 1.040 Z: 16 8.357 1.499 0.639 0.413 0.933 0.400 CB 1.030 15 residues pruned to eliminate duplicates Z: 12 7.758 1.511 0.884 0.355 0.818 0.455 CB 1.175 11 residues pruned to eliminate duplicates Z: 10 11.615 1.734 0.569 0.914 1.000 1.000 CB 1.007 10 residues pruned to eliminate duplicates Z: 6 3.206 1.580 0.300 0.429 0.600 0.400 O 1.253 Z: 6 6.090 1.574 0.927 0.466 1.000 1.000 CA 0.930 6 residues pruned to eliminate duplicates Z: 13 12.438 1.634 0.558 0.907 1.000 0.917 CB 1.002 13 residues pruned to eliminate duplicates Z: 6 3.261 1.430 0.106 0.730 1.000 0.600 CA 0.749 5 residues pruned to eliminate duplicates Z: 32 17.008 1.835 0.635 0.493 0.871 0.645 CB 1.178 32 residues pruned to eliminate duplicates Z: 11 16.722 1.978 0.602 0.846 1.000 0.700 CA 1.240 11 residues pruned to eliminate duplicates Z: 8 9.988 1.764 0.294 0.841 1.000 0.714 CB 1.234 8 residues pruned to eliminate duplicates Z: 22 11.240 1.819 0.347 0.368 0.810 0.381 CB 1.425 22 residues pruned to eliminate duplicates Z: 30 20.191 1.764 0.665 0.499 0.931 0.586 CB 1.372 30 residues pruned to eliminate duplicates Z: 17 27.423 1.820 0.985 0.942 1.000 0.938 CA 1.316 17 residues pruned to eliminate duplicates Z: 20 30.974 1.758 1.204 0.910 1.000 0.789 CA 1.300 20 residues pruned to eliminate duplicates Z: 6 3.300 1.609 0.567 0.613 0.800 0.400 CB 0.657 Z: 12 9.441 1.756 0.414 0.791 0.909 0.455 CB 0.976 11 residues pruned to eliminate duplicates Z: 7 12.642 1.749 0.631 0.766 1.000 0.833 CA 1.429 Z: 8 7.267 1.650 0.505 0.912 1.000 0.714 CB 0.784 8 residues pruned to eliminate duplicates Z: 20 22.656 1.831 0.651 0.782 1.000 0.789 CB 1.341 20 residues pruned to eliminate duplicates Z: 18 21.351 1.862 0.647 0.809 1.000 0.765 CB 1.290 17 residues pruned to eliminate duplicates Z: 53 27.744 1.770 0.765 0.583 0.904 0.596 CB 1.258 58 residues pruned to eliminate duplicates Z: 10 4.806 1.693 0.290 0.445 0.778 0.444 CA 0.998 Z: 9 5.180 1.482 0.894 0.335 1.000 0.500 CB 0.781 9 residues pruned to eliminate duplicates Z: 16 8.281 1.757 0.393 0.425 0.867 0.400 CB 1.089 16 residues pruned to eliminate duplicates Z: 14 3.988 1.482 0.185 0.332 0.846 0.385 CB 0.894 Z: 7 6.114 1.664 0.280 0.885 1.000 0.833 CB 0.847 7 residues pruned to eliminate duplicates Z: 10 6.070 1.386 0.784 0.409 0.889 0.667 O 1.012 7 residues pruned to eliminate duplicates Z: 7 11.529 1.612 1.191 0.837 1.000 0.833 CB 0.996 7 residues pruned to eliminate duplicates Z: 11 9.606 1.795 0.514 0.846 0.900 0.900 CB 0.923 11 residues pruned to eliminate duplicates Z: 8 9.455 1.684 0.741 0.896 1.000 0.714 CB 0.873 8 residues pruned to eliminate duplicates Z: 17 19.062 1.666 0.761 0.890 0.938 0.625 CA 1.246 17 residues pruned to eliminate duplicates Z: 17 24.566 1.852 0.792 0.888 1.000 0.750 CB 1.333 17 residues pruned to eliminate duplicates Z: 7 2.269 1.364 0.471 0.452 0.833 0.667 CB 0.582 Z: 6 2.711 1.503 0.005 0.495 0.800 0.800 CB 1.008 4 residues pruned to eliminate duplicates Z: 8 4.949 1.542 0.434 0.435 0.857 0.571 CB 1.055 Z: 14 7.870 1.611 0.705 0.456 0.769 0.538 CA 1.080 14 residues pruned to eliminate duplicates Z: 32 15.885 1.740 0.720 0.533 0.903 0.516 CB 1.022 32 residues pruned to eliminate duplicates Z: 20 14.921 1.800 0.728 0.563 0.895 0.684 CB 1.157 20 residues pruned to eliminate duplicates Z: 11 8.859 1.592 0.232 0.799 1.000 0.600 CB 1.100 11 residues pruned to eliminate duplicates Z: 17 27.062 1.759 1.157 0.923 1.000 0.688 CB 1.253 17 residues pruned to eliminate duplicates Z: 12 11.409 1.696 0.535 0.625 1.000 0.818 CB 1.174 4 residues pruned to eliminate duplicates Z: 8 6.889 1.662 0.676 0.606 0.714 0.571 O 1.183 8 residues pruned to eliminate duplicates Z: 14 20.132 1.845 0.712 0.931 1.000 0.923 CB 1.236 14 residues pruned to eliminate duplicates Z: 11 6.588 1.638 0.432 0.532 0.800 0.700 CB 1.076 11 residues pruned to eliminate duplicates Z: 11 9.833 1.490 0.919 0.678 0.900 0.600 CB 1.026 12 residues pruned to eliminate duplicates Z: 6 2.148 1.680 0.765 0.854 0.800 0.800 CB 0.299 Z: 15 18.632 1.723 0.865 0.923 1.000 0.786 CB 1.089 15 residues pruned to eliminate duplicates Z: 18 14.655 1.895 0.369 0.650 0.824 0.765 CB 1.446 18 residues pruned to eliminate duplicates Z: 11 11.102 1.718 0.664 0.901 0.900 0.800 CB 0.974 11 residues pruned to eliminate duplicates Z: 11 12.516 1.717 0.522 0.920 1.000 1.000 CB 1.067 11 residues pruned to eliminate duplicates Z: 20 27.827 1.928 0.810 0.814 1.000 0.737 CB 1.393 20 residues pruned to eliminate duplicates Z: 10 4.025 1.529 0.457 0.325 0.778 0.333 CB 0.939 Z: 10 3.908 1.427 0.347 0.474 0.778 0.556 CB 0.894 10 residues pruned to eliminate duplicates Z: 16 20.509 1.886 0.812 0.721 0.933 0.733 CB 1.359 16 residues pruned to eliminate duplicates Z: 7 3.893 1.309 0.295 0.808 1.000 0.667 CB 0.717 7 residues pruned to eliminate duplicates Z: 10 10.395 1.671 0.480 0.904 1.000 0.889 CB 0.997 11 residues pruned to eliminate duplicates Z: 9 8.791 1.744 0.517 0.503 1.000 1.000 CA 1.172 9 residues pruned to eliminate duplicates Z: 11 15.610 1.823 0.786 0.883 1.000 0.500 CB 1.097 12 residues pruned to eliminate duplicates Z: 7 9.158 1.748 0.714 0.567 0.833 0.500 CB 1.403 7 residues pruned to eliminate duplicates 9 1.569 1.415 0.143 0.184 0.625 0.375 CB 0.802 ? Z: 12 10.598 1.507 0.483 0.909 0.909 0.909 CB 1.116 12 residues pruned to eliminate duplicates Z: 20 21.851 1.890 0.914 0.757 0.947 0.579 CB 1.163 21 residues pruned to eliminate duplicates Z: 24 12.308 1.626 0.792 0.416 0.826 0.435 CB 1.164 24 residues pruned to eliminate duplicates Z: 17 27.497 1.751 1.161 0.926 1.000 0.812 CA 1.274 17 residues pruned to eliminate duplicates Z: 25 22.634 1.790 0.707 0.699 0.917 0.500 CB 1.375 25 residues pruned to eliminate duplicates Z: 9 6.739 1.608 0.591 0.429 1.000 0.625 CB 1.003 9 residues pruned to eliminate duplicates Z: 7 2.950 1.165 0.658 0.449 0.833 0.500 CA 0.788 Z: 15 14.671 1.798 0.431 0.901 1.000 0.857 CB 1.088 15 residues pruned to eliminate duplicates Z: 6 8.433 1.508 1.146 0.810 1.000 0.600 CB 0.890 6 1.276 1.322 0.606 0.489 0.400 0.400 N 0.679 ? Z: 20 7.809 1.652 0.653 0.393 0.789 0.368 CB 0.931 15 residues pruned to eliminate duplicates Z: 8 11.145 1.605 0.634 0.839 0.857 0.571 C 1.400 8 residues pruned to eliminate duplicates Z: 9 4.085 1.409 0.519 0.400 0.750 0.625 N 1.000 Z: 18 16.996 1.798 0.751 0.922 0.941 0.882 CA 0.978 18 residues pruned to eliminate duplicates Z: 8 5.060 1.717 0.321 0.482 0.714 0.571 CA 1.202 8 residues pruned to eliminate duplicates Z: 15 19.689 1.805 0.715 0.912 1.000 0.857 CB 1.204 15 residues pruned to eliminate duplicates Z: 14 22.545 1.851 0.869 0.941 1.000 0.846 CB 1.254 14 residues pruned to eliminate duplicates Z: 16 20.922 1.860 0.628 0.946 1.000 0.800 CB 1.234 16 residues pruned to eliminate duplicates Z: 9 5.503 1.395 0.374 0.822 1.000 0.875 CB 0.768 6 residues pruned to eliminate duplicates Z: 18 19.095 1.735 0.664 0.823 1.000 0.882 CA 1.213 18 residues pruned to eliminate duplicates Z: 39 20.850 1.858 0.700 0.524 0.868 0.632 CB 1.204 38 residues pruned to eliminate duplicates Z: 19 8.011 1.552 0.339 0.494 0.889 0.722 CB 1.028 11 residues pruned to eliminate duplicates Z: 30 12.946 1.736 0.351 0.484 0.862 0.483 CB 1.208 31 residues pruned to eliminate duplicates Z: 31 17.665 1.821 0.491 0.525 0.933 0.533 CB 1.242 31 residues pruned to eliminate duplicates Z: 25 20.337 1.884 0.663 0.501 0.958 0.500 CB 1.381 33 residues pruned to eliminate duplicates Z: 8 3.453 1.453 0.377 0.420 0.714 0.286 CB 0.992 Z: 8 4.402 1.531 0.212 0.491 0.857 0.571 CB 1.056 Z: 20 13.435 1.830 0.521 0.461 0.842 0.474 CB 1.368 20 residues pruned to eliminate duplicates Z: 13 6.524 1.669 0.470 0.474 0.833 0.750 CB 0.945 13 residues pruned to eliminate duplicates Z: 14 20.967 1.831 0.769 0.919 1.000 0.923 CB 1.265 14 residues pruned to eliminate duplicates Z: 14 22.218 1.788 1.384 0.914 0.923 0.615 CB 1.108 14 residues pruned to eliminate duplicates Z: 7 2.361 1.456 0.271 0.325 0.667 0.500 CB 0.947 7 residues pruned to eliminate duplicates Z: 18 23.856 1.686 0.878 0.930 1.000 0.882 CA 1.278 18 residues pruned to eliminate duplicates Z: 10 9.839 1.502 0.839 0.855 0.889 0.667 CB 0.986 10 residues pruned to eliminate duplicates Z: 36 19.424 1.848 0.553 0.462 0.943 0.629 CB 1.262 36 residues pruned to eliminate duplicates Z: 18 20.676 1.712 1.008 0.879 0.941 0.647 CB 1.124 18 residues pruned to eliminate duplicates Z: 14 7.919 1.632 0.551 0.490 0.846 0.538 CA 1.036 14 residues pruned to eliminate duplicates Z: 7 9.805 1.596 1.040 0.843 1.000 0.833 CB 0.915 7 residues pruned to eliminate duplicates Z: 10 4.450 1.530 0.421 0.473 0.667 0.444 CB 1.051 Z: 9 11.885 1.598 0.603 0.836 1.000 0.875 CB 1.228 9 residues pruned to eliminate duplicates Z: 7 4.431 1.573 0.199 0.464 0.833 0.500 CB 1.194 7 residues pruned to eliminate duplicates Z: 6 6.387 1.408 0.537 0.818 1.000 1.000 CA 1.002 6 residues pruned to eliminate duplicates Z: 17 23.748 1.768 0.974 0.916 0.938 0.812 CA 1.281 17 residues pruned to eliminate duplicates Z: 6 4.156 1.557 -0.015 0.578 1.000 0.600 CB 1.124 Z: 15 8.639 1.737 0.442 0.669 0.929 0.643 CB 0.850 14 residues pruned to eliminate duplicates Z: 6 5.830 1.589 0.597 0.639 0.800 0.600 CB 1.128 6 residues pruned to eliminate duplicates Z: 7 8.084 1.678 0.568 0.818 0.833 0.500 CA 1.142 7 residues pruned to eliminate duplicates Z: 7 2.759 1.433 0.735 0.220 0.833 0.333 N 0.755 Z: 9 4.468 1.248 0.628 0.894 1.000 0.875 CB 0.558 9 residues pruned to eliminate duplicates Z: 14 24.786 1.845 1.086 0.928 1.000 0.769 CB 1.251 14 residues pruned to eliminate duplicates Z: 16 23.035 1.863 0.778 0.920 1.000 0.800 CA 1.265 16 residues pruned to eliminate duplicates Z: 8 7.816 1.597 0.700 0.552 1.000 0.714 CB 1.034 8 residues pruned to eliminate duplicates Z: 41 24.036 1.797 0.684 0.563 0.950 0.650 CB 1.244 37 residues pruned to eliminate duplicates Z: 13 4.564 1.416 0.517 0.499 0.917 0.500 CB 0.670 10 residues pruned to eliminate duplicates Z: 6 4.093 1.614 0.057 0.548 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 9 5.232 1.710 0.132 0.358 1.000 0.500 CB 1.113 9 residues pruned to eliminate duplicates Z: 11 5.680 1.312 0.434 0.877 0.900 0.800 CB 0.771 10 residues pruned to eliminate duplicates Z: 12 7.274 1.527 0.447 0.548 0.818 0.545 CB 1.158 9 residues pruned to eliminate duplicates Z: 6 2.008 1.207 0.508 0.539 0.800 0.600 CB 0.594 Z: 6 2.926 1.695 0.324 0.504 1.000 0.600 CB 0.581 Z: 12 7.616 1.772 0.701 0.346 0.818 0.545 CB 1.100 12 residues pruned to eliminate duplicates Z: 11 10.253 1.614 0.402 0.923 1.000 0.800 CB 1.007 11 residues pruned to eliminate duplicates 6 0.716 1.146 0.243 0.447 0.800 0.400 N 0.297 ? Z: 8 3.152 1.608 0.122 0.338 0.857 0.429 CB 0.919 Z: 15 15.387 1.728 0.622 0.915 1.000 0.929 CB 1.037 15 residues pruned to eliminate duplicates Z: 10 6.940 1.606 0.230 0.903 1.000 0.889 CB 0.835 9 residues pruned to eliminate duplicates Z: 13 15.489 1.747 0.660 0.871 1.000 0.750 CB 1.125 13 residues pruned to eliminate duplicates Z: 7 4.254 1.786 0.270 0.184 1.000 0.333 CB 1.118 7 residues pruned to eliminate duplicates Z: 10 11.352 1.776 0.889 0.552 0.889 0.667 CB 1.206 10 residues pruned to eliminate duplicates Z: 24 25.244 1.958 0.876 0.649 0.957 0.652 CB 1.304 24 residues pruned to eliminate duplicates Z: 14 9.256 1.659 0.722 0.434 0.923 0.615 CB 1.042 18 residues pruned to eliminate duplicates Z: 9 9.584 1.568 0.524 0.817 0.875 0.750 CB 1.230 9 residues pruned to eliminate duplicates Z: 25 9.423 1.578 0.526 0.462 0.875 0.417 CB 0.949 19 residues pruned to eliminate duplicates Z: 8 3.981 1.305 1.063 0.518 0.714 0.714 N 0.769 8 residues pruned to eliminate duplicates Z: 27 17.293 1.854 0.506 0.514 0.923 0.615 CB 1.298 27 residues pruned to eliminate duplicates Z: 6 5.975 1.551 0.621 0.818 0.800 0.400 CA 1.008 6 residues pruned to eliminate duplicates Z: 8 11.798 1.638 0.502 0.875 1.000 0.857 CB 1.318 8 residues pruned to eliminate duplicates Z: 11 8.024 1.624 0.529 0.429 0.800 0.600 CA 1.375 11 residues pruned to eliminate duplicates Z: 6 4.157 1.620 0.506 0.750 1.000 1.000 CB 0.610 Z: 7 3.710 1.561 0.852 0.285 0.500 0.500 CA 1.335 Z: 16 11.859 1.616 0.385 0.897 0.867 0.800 CB 1.130 16 residues pruned to eliminate duplicates Z: 6 2.746 1.489 0.306 0.551 0.800 0.600 CB 0.751 Z: 7 4.408 1.377 0.353 0.859 1.000 0.833 CB 0.711 Z: 7 2.591 1.523 0.033 0.546 0.667 0.500 CB 0.964 4 residues pruned to eliminate duplicates Z: 10 5.303 1.529 0.460 0.199 0.889 0.444 N 1.274 10 residues pruned to eliminate duplicates Z: 17 29.721 1.770 1.172 0.945 1.000 0.812 CA 1.338 17 residues pruned to eliminate duplicates Z: 12 6.057 1.530 0.243 0.910 1.000 1.000 CB 0.681 10 residues pruned to eliminate duplicates Z: 32 15.672 1.794 0.650 0.469 0.935 0.645 CB 1.049 27 residues pruned to eliminate duplicates 6 1.437 1.625 0.422 0.893 1.000 1.000 CB 0.200 ? Z: 13 13.819 1.648 0.736 0.673 1.000 0.917 CB 1.188 9 residues pruned to eliminate duplicates Z: 14 11.253 1.764 0.082 0.893 1.000 0.846 CA 1.175 14 residues pruned to eliminate duplicates Z: 15 6.175 1.598 0.361 0.411 0.857 0.643 CB 0.972 12 residues pruned to eliminate duplicates Z: 24 12.142 1.762 0.527 0.426 0.870 0.609 CB 1.169 24 residues pruned to eliminate duplicates Z: 10 3.679 1.590 -0.071 0.585 0.778 0.444 CB 0.984 Z: 8 10.934 1.653 0.361 0.861 1.000 0.571 CA 1.349 8 residues pruned to eliminate duplicates Z: 9 11.352 1.651 0.802 0.914 1.000 0.625 CB 0.954 9 residues pruned to eliminate duplicates Z: 9 3.377 1.337 0.287 0.426 0.875 0.250 CB 0.856 6 residues pruned to eliminate duplicates Z: 13 10.152 1.626 0.209 0.865 1.000 0.917 CB 1.092 13 residues pruned to eliminate duplicates Z: 7 2.067 1.253 0.785 0.303 0.500 0.167 N 0.940 Z: 8 6.359 1.412 0.670 0.626 0.857 0.857 N 1.056 6 residues pruned to eliminate duplicates Z: 16 6.093 1.641 0.453 0.304 0.867 0.400 CB 0.947 16 residues pruned to eliminate duplicates Z: 6 2.875 1.502 0.147 0.289 0.800 0.600 CA 1.182 6 residues pruned to eliminate duplicates Z: 16 27.309 1.774 1.068 0.930 1.000 0.867 CA 1.344 16 residues pruned to eliminate duplicates Z: 35 16.746 1.698 0.503 0.627 0.853 0.588 CB 1.171 33 residues pruned to eliminate duplicates Z: 10 4.787 1.679 0.479 0.276 0.889 0.556 CB 0.932 10 residues pruned to eliminate duplicates Z: 9 3.353 1.454 1.012 0.416 0.625 0.500 CB 0.708 Z: 54 23.600 1.819 0.632 0.511 0.868 0.528 CB 1.244 50 residues pruned to eliminate duplicates Z: 8 3.576 1.514 0.121 0.364 0.857 0.571 CB 1.076 8 residues pruned to eliminate duplicates Z: 13 22.614 1.916 0.701 0.866 1.000 1.000 CA 1.466 13 residues pruned to eliminate duplicates Z: 15 7.303 1.648 0.137 0.645 1.000 0.643 CB 0.910 15 residues pruned to eliminate duplicates Z: 7 3.951 1.423 0.358 0.516 0.833 0.500 CB 0.986 Z: 18 7.359 1.624 0.375 0.313 0.882 0.294 CB 1.114 18 residues pruned to eliminate duplicates Z: 7 11.979 1.632 0.869 0.903 1.000 1.000 CB 1.142 7 residues pruned to eliminate duplicates Z: 7 3.596 1.289 0.503 0.410 1.000 0.667 N 0.833 Z: 7 8.303 1.704 0.779 0.662 0.833 0.667 CB 1.155 6 residues pruned to eliminate duplicates Z: 10 10.153 1.657 0.563 0.850 1.000 0.778 CB 0.968 10 residues pruned to eliminate duplicates Z: 6 3.208 1.527 0.366 0.627 0.800 0.600 CB 0.763 Z: 8 3.565 1.380 0.264 0.721 0.714 0.571 CB 0.886 Z: 9 10.163 1.717 0.642 0.900 1.000 0.625 CB 0.910 9 residues pruned to eliminate duplicates Z: 6 5.480 1.523 0.246 0.658 1.000 0.600 N 1.116 Z: 6 2.478 1.447 0.710 0.314 0.600 0.400 CB 0.917 6 residues pruned to eliminate duplicates Z: 19 16.522 1.635 0.535 0.909 0.944 0.944 CA 1.167 19 residues pruned to eliminate duplicates Z: 10 2.288 1.283 0.287 0.425 0.778 0.667 CB 0.641 Z: 8 7.254 1.678 0.492 0.530 0.857 0.571 CB 1.241 8 residues pruned to eliminate duplicates Z: 10 7.297 1.423 0.638 0.409 1.000 0.222 CB 1.149 Z: 8 6.053 1.572 0.355 0.469 0.857 0.571 CB 1.294 8 residues pruned to eliminate duplicates Z: 11 5.684 1.591 0.386 0.424 1.000 0.700 CB 0.882 11 residues pruned to eliminate duplicates Z: 24 6.773 1.617 0.458 0.255 0.739 0.478 CB 1.074 24 residues pruned to eliminate duplicates Z: 9 2.216 1.433 0.049 0.301 0.750 0.250 CB 0.867 Z: 8 8.018 1.684 0.593 0.885 0.857 0.714 CB 0.952 8 residues pruned to eliminate duplicates Z: 9 3.470 1.538 0.151 0.618 0.750 0.625 CB 0.827 8 residues pruned to eliminate duplicates Z: 23 16.293 1.802 0.551 0.458 1.000 0.545 CB 1.297 23 residues pruned to eliminate duplicates 6 1.852 1.558 0.159 0.299 0.600 0.400 CB 0.957 ? Z: 8 5.980 1.255 0.573 0.711 1.000 0.571 N 0.945 Z: 7 3.920 1.307 0.433 0.593 0.833 0.500 CB 0.938 Z: 10 5.782 1.620 0.616 0.313 0.778 0.556 CA 1.164 10 residues pruned to eliminate duplicates Z: 8 11.326 1.654 0.580 0.797 1.000 0.429 CB 1.264 8 residues pruned to eliminate duplicates 6 1.636 1.302 0.749 0.380 0.600 0.400 CB 0.608 ? Z: 8 6.091 1.497 0.384 0.546 0.857 0.571 CB 1.240 Z: 6 4.739 1.659 0.390 0.311 1.000 0.600 CA 1.134 6 residues pruned to eliminate duplicates Z: 22 17.577 1.753 0.592 0.638 0.905 0.762 CA 1.335 22 residues pruned to eliminate duplicates Z: 11 7.236 1.353 0.712 0.678 0.900 0.700 CB 0.932 Z: 60 31.766 1.891 0.741 0.556 0.915 0.610 CB 1.300 70 residues pruned to eliminate duplicates Z: 10 5.038 1.515 0.443 0.530 0.889 0.556 CB 0.839 10 residues pruned to eliminate duplicates Z: 11 9.956 1.685 0.557 0.612 1.000 1.000 CB 1.079 11 residues pruned to eliminate duplicates Z: 6 2.986 1.449 0.723 0.563 0.600 0.600 O 0.838 Z: 14 14.577 1.634 0.559 0.779 0.923 0.769 CB 1.345 14 residues pruned to eliminate duplicates Z: 29 27.899 1.762 1.094 0.644 0.964 0.679 CB 1.295 29 residues pruned to eliminate duplicates Z: 8 8.435 1.594 0.452 0.817 0.857 0.571 CA 1.220 8 residues pruned to eliminate duplicates Z: 9 3.455 1.536 0.389 0.184 0.750 0.500 CB 1.116 9 residues pruned to eliminate duplicates Z: 7 3.298 1.729 0.217 0.395 0.667 0.333 CB 1.073 7 residues pruned to eliminate duplicates Z: 14 8.664 1.488 0.619 0.293 1.000 0.538 CB 1.257 10 residues pruned to eliminate duplicates Z: 12 4.972 1.479 0.346 0.509 0.909 0.545 CB 0.821 19 residues pruned to eliminate duplicates Z: 17 25.013 1.727 0.997 0.907 0.938 0.500 CB 1.376 17 residues pruned to eliminate duplicates Z: 14 11.353 1.799 0.884 0.426 0.923 0.538 CA 1.087 14 residues pruned to eliminate duplicates Z: 15 18.856 1.988 0.902 0.755 0.857 0.643 CB 1.238 15 residues pruned to eliminate duplicates Z: 16 20.601 1.872 0.904 0.687 0.867 0.800 CA 1.451 16 residues pruned to eliminate duplicates Z: 7 2.535 1.409 0.335 0.293 0.667 0.333 N 1.041 Z: 6 3.008 1.470 0.560 0.292 0.600 0.400 O 1.235 Z: 12 9.254 1.660 0.781 0.415 0.909 0.818 CB 1.134 12 residues pruned to eliminate duplicates Z: 6 4.378 1.216 0.474 0.669 1.000 0.800 CB 0.934 7 residues pruned to eliminate duplicates Z: 19 6.470 1.495 0.321 0.475 0.889 0.556 CB 0.891 19 residues pruned to eliminate duplicates Z: 7 3.773 1.539 0.047 0.467 0.833 0.500 O 1.186 7 residues pruned to eliminate duplicates Z: 30 24.249 1.800 0.681 0.655 0.931 0.690 CA 1.384 30 residues pruned to eliminate duplicates Z: 7 2.932 1.396 0.601 0.388 0.667 0.167 CB 0.905 7 residues pruned to eliminate duplicates Z: 26 14.775 1.763 0.623 0.413 0.960 0.400 CB 1.178 26 residues pruned to eliminate duplicates Z: 15 15.581 1.810 0.295 0.932 1.000 0.929 CB 1.241 15 residues pruned to eliminate duplicates Z: 8 3.200 1.534 0.432 0.521 0.571 0.429 CB 0.943 Z: 16 7.824 1.591 0.812 0.442 0.733 0.600 CB 1.015 16 residues pruned to eliminate duplicates Z: 26 15.412 1.682 0.851 0.534 0.880 0.520 CB 1.087 26 residues pruned to eliminate duplicates Z: 11 4.249 1.675 0.374 0.294 1.000 0.700 CB 0.735 11 residues pruned to eliminate duplicates Z: 15 13.785 1.819 0.615 0.420 0.929 0.571 CB 1.468 20 residues pruned to eliminate duplicates Z: 11 5.634 1.565 0.653 0.407 0.700 0.300 CB 1.084 8 residues pruned to eliminate duplicates Z: 13 2.940 1.376 0.485 0.319 0.583 0.250 CB 0.870 7 residues pruned to eliminate duplicates Z: 7 13.180 1.751 1.041 0.881 1.000 0.833 CB 1.091 Z: 34 9.771 1.602 0.699 0.299 0.788 0.455 CB 0.992 37 residues pruned to eliminate duplicates Z: 11 5.900 1.675 0.382 0.488 0.800 0.400 CB 1.020 10 residues pruned to eliminate duplicates Z: 17 18.482 1.733 0.673 0.894 1.000 0.812 CA 1.143 17 residues pruned to eliminate duplicates Z: 11 9.581 1.634 0.680 0.808 0.800 0.600 CB 1.055 11 residues pruned to eliminate duplicates Z: 11 9.328 1.682 0.279 0.914 1.000 0.900 CB 0.970 11 residues pruned to eliminate duplicates Z: 11 2.770 1.426 0.487 0.247 0.600 0.400 CB 0.921 11 residues pruned to eliminate duplicates Z: 7 3.502 1.558 0.429 0.296 0.667 0.667 CA 1.211 Z: 6 6.023 1.617 0.364 0.796 0.800 0.600 C 1.178 6 residues pruned to eliminate duplicates Z: 8 4.813 1.395 0.765 0.398 0.714 0.571 CB 1.152 Z: 13 7.487 1.627 0.543 0.394 0.917 0.667 CB 1.050 13 residues pruned to eliminate duplicates Z: 17 16.258 1.989 0.925 0.749 0.875 0.625 CB 0.972 17 residues pruned to eliminate duplicates Z: 9 2.441 1.356 0.268 0.257 0.625 0.250 O 1.061 9 residues pruned to eliminate duplicates Z: 11 6.228 1.456 0.319 0.539 0.800 0.800 O 1.234 11 residues pruned to eliminate duplicates Z: 9 12.445 1.529 0.772 0.899 1.000 0.750 CB 1.160 9 residues pruned to eliminate duplicates Z: 6 3.111 1.534 0.308 0.281 0.800 0.600 CB 1.111 Z: 7 2.905 1.581 0.296 0.527 0.667 0.500 CB 0.845 Z: 15 12.331 1.593 0.730 0.906 0.929 0.429 CB 0.916 15 residues pruned to eliminate duplicates Z: 14 22.561 1.901 0.774 0.901 1.000 0.769 CA 1.324 14 residues pruned to eliminate duplicates Z: 6 2.690 1.094 0.622 0.494 1.000 0.400 N 0.682 Z: 36 19.686 1.750 0.626 0.646 0.886 0.486 CB 1.152 36 residues pruned to eliminate duplicates Z: 13 4.406 1.443 0.365 0.381 0.833 0.500 CB 0.879 13 residues pruned to eliminate duplicates 6 1.881 1.413 1.092 0.750 0.800 0.800 CB 0.284 ? Z: 7 4.952 1.571 0.778 0.411 0.833 0.333 CB 0.954 Z: 12 8.576 1.700 0.452 0.335 1.000 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 27 21.191 1.783 0.954 0.675 0.923 0.577 CB 1.100 27 residues pruned to eliminate duplicates Z: 6 2.538 1.416 0.291 0.512 1.000 0.600 CB 0.614 Z: 6 4.877 1.333 0.365 0.677 1.000 0.800 CA 1.018 Z: 22 20.837 1.728 0.967 0.751 0.952 0.619 CB 1.123 22 residues pruned to eliminate duplicates Z: 31 20.064 1.751 0.743 0.612 0.900 0.633 CB 1.199 31 residues pruned to eliminate duplicates 6 1.534 1.390 0.136 0.639 1.000 0.600 CB 0.381 ? Z: 22 9.492 1.656 0.488 0.366 0.905 0.476 CB 1.073 25 residues pruned to eliminate duplicates Z: 13 8.711 1.605 0.191 0.615 1.000 0.833 CA 1.179 13 residues pruned to eliminate duplicates Z: 10 6.582 1.576 0.686 0.900 1.000 0.778 CB 0.590 10 residues pruned to eliminate duplicates Z: 11 5.000 1.647 0.407 0.515 0.800 0.700 CB 0.840 11 residues pruned to eliminate duplicates Z: 10 5.531 1.526 0.706 0.469 0.667 0.556 N 1.097 Z: 9 6.682 1.649 0.508 0.871 0.875 0.750 CB 0.792 9 residues pruned to eliminate duplicates Z: 12 13.896 1.905 0.507 0.741 0.909 0.545 CB 1.293 12 residues pruned to eliminate duplicates Z: 6 5.129 1.367 0.562 0.646 0.800 0.800 CB 1.173 6 residues pruned to eliminate duplicates Z: 8 4.549 1.652 0.118 0.305 0.857 0.429 CB 1.349 8 residues pruned to eliminate duplicates Z: 7 7.980 1.509 0.782 0.810 1.000 0.667 CB 0.925 7 residues pruned to eliminate duplicates Z: 11 9.303 1.762 0.457 0.510 0.900 0.600 CB 1.261 11 residues pruned to eliminate duplicates Z: 18 21.332 1.675 0.924 0.850 0.882 0.706 CB 1.348 18 residues pruned to eliminate duplicates Z: 12 11.526 1.576 0.745 0.830 0.818 0.636 CB 1.161 12 residues pruned to eliminate duplicates Z: 7 3.341 1.457 0.517 0.379 0.667 0.333 CB 1.053 Z: 6 3.667 1.607 0.092 0.703 0.600 0.400 CA 1.295 6 residues pruned to eliminate duplicates Z: 9 3.072 1.338 1.043 0.225 0.625 0.375 CA 0.877 Z: 7 9.296 1.750 0.471 0.655 1.000 0.667 CA 1.277 10 residues pruned to eliminate duplicates Z: 7 2.455 1.333 0.190 0.304 0.667 0.500 C 1.179 7 residues pruned to eliminate duplicates Z: 7 6.858 1.547 0.442 0.508 1.000 0.667 CB 1.244 Z: 7 8.797 1.707 0.208 0.872 1.000 0.833 CB 1.269 7 residues pruned to eliminate duplicates Z: 14 6.735 1.504 0.410 0.504 0.846 0.538 CB 1.036 14 residues pruned to eliminate duplicates Z: 13 4.896 1.478 0.184 0.395 0.750 0.417 CB 1.203 Z: 7 5.432 1.462 0.491 0.669 0.833 0.500 CB 1.044 Z: 9 5.687 1.652 0.342 0.488 0.875 0.625 CA 1.049 9 residues pruned to eliminate duplicates Z: 13 7.880 1.633 0.486 0.470 0.833 0.667 CB 1.159 13 residues pruned to eliminate duplicates Z: 7 11.496 1.505 0.761 0.813 1.000 0.833 CA 1.348 7 residues pruned to eliminate duplicates Z: 16 9.602 1.734 0.567 0.396 0.800 0.467 CA 1.272 16 residues pruned to eliminate duplicates Z: 8 5.825 1.523 0.664 0.551 0.714 0.571 CB 1.158 8 residues pruned to eliminate duplicates Z: 20 11.400 1.711 0.659 0.403 0.895 0.526 CB 1.140 20 residues pruned to eliminate duplicates Z: 14 10.980 1.655 0.794 0.555 0.846 0.692 CB 1.149 14 residues pruned to eliminate duplicates Z: 7 4.509 1.508 0.258 0.735 1.000 0.667 CB 0.786 7 residues pruned to eliminate duplicates Z: 6 8.045 1.579 0.506 0.841 1.000 1.000 CB 1.128 6 residues pruned to eliminate duplicates Z: 9 2.104 1.372 0.123 0.190 0.750 0.500 CB 0.932 Z: 6 4.434 1.541 0.465 0.475 0.800 0.600 N 1.126 6 residues pruned to eliminate duplicates Z: 6 5.002 1.601 0.257 0.643 1.000 0.800 CB 0.972 Z: 12 9.390 1.595 0.296 0.835 1.000 0.818 CB 1.026 11 residues pruned to eliminate duplicates Z: 7 2.734 1.521 0.077 0.247 0.833 0.667 CA 1.094 7 residues pruned to eliminate duplicates Z: 8 10.589 1.698 0.304 0.848 1.000 0.857 CA 1.341 8 residues pruned to eliminate duplicates Z: 11 3.570 1.579 0.530 0.459 0.700 0.700 CB 0.697 11 residues pruned to eliminate duplicates 1015 residues left after pruning, divided into chains as follows: A: 28 B: 7 C: 35 D: 11 E: 15 F: 7 G: 20 H: 9 I: 12 J: 20 K: 8 L: 17 M: 6 N: 44 O: 14 P: 36 Q: 7 R: 32 S: 10 T: 8 U: 19 V: 12 W: 16 X: 35 Y: 11 Z: 22 Z: 9 Z: 12 Z: 57 Z: 6 Z: 6 Z: 111 Z: 66 Z: 17 Z: 23 Z: 7 Z: 53 Z: 12 Z: 39 Z: 13 Z: 10 Z: 85 Z: 7 Z: 9 Z: 12 CC for partial structure against native data = 35.50 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.389, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.451, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.542, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.556, Connect. = 0.756 for dens.mod. cycle 4 = 0.300, Contrast = 0.569, Connect. = 0.759 for dens.mod. cycle 5 = 0.300, Contrast = 0.577, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.583, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.587, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.590, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.592, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4466 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1185 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 27.076 2.009 0.665 0.935 1.000 0.786 CB 1.507 B: 15 33.538 2.040 0.841 0.941 1.000 0.643 CB 1.656 15 residues pruned to eliminate duplicates C: 15 33.523 2.058 0.775 0.933 1.000 0.857 CB 1.711 15 residues pruned to eliminate duplicates D: 15 19.999 1.878 0.646 0.923 1.000 0.929 CA 1.215 E: 19 24.562 2.001 0.616 0.801 0.944 0.667 CA 1.457 F: 16 21.474 2.031 0.542 0.858 1.000 0.733 CA 1.304 G: 18 29.453 1.832 0.936 0.936 1.000 0.824 N 1.402 H: 14 14.698 1.714 0.328 0.927 1.000 0.846 CA 1.255 I: 18 20.566 1.785 0.571 0.889 0.941 0.824 CA 1.361 J: 30 22.963 1.834 0.814 0.583 0.862 0.552 CB 1.373 21 residues pruned to eliminate duplicates K: 18 23.012 1.794 0.597 0.943 1.000 0.941 CA 1.350 18 residues pruned to eliminate duplicates L: 21 29.244 1.967 0.796 0.772 1.000 0.800 CB 1.454 19 residues pruned to eliminate duplicates M: 7 11.658 1.967 0.412 0.836 0.833 0.667 CB 1.540 N: 14 13.997 1.750 0.191 0.901 1.000 0.923 CB 1.330 14 residues pruned to eliminate duplicates O: 13 3.554 1.677 0.042 0.394 0.667 0.417 CB 0.985 P: 9 13.920 1.989 0.415 0.922 1.000 0.875 CB 1.231 Q: 6 7.285 1.870 0.962 0.646 0.800 0.600 CB 0.969 R: 41 19.329 1.855 0.573 0.441 0.850 0.500 CB 1.310 S: 15 23.084 1.871 0.826 0.921 0.929 0.929 CB 1.368 26 residues pruned to eliminate duplicates T: 8 13.365 1.708 0.794 0.889 0.857 0.857 CA 1.385 7 residues pruned to eliminate duplicates U: 9 12.651 2.021 0.381 0.912 1.000 1.000 CB 1.135 8 residues pruned to eliminate duplicates V: 6 16.111 2.053 0.621 0.839 1.000 0.600 CB 1.617 6 residues pruned to eliminate duplicates W: 9 5.384 1.770 0.320 0.400 0.625 0.625 N 1.448 X: 14 17.221 1.784 0.369 0.895 1.000 0.923 CB 1.402 13 residues pruned to eliminate duplicates Y: 10 11.947 1.971 0.325 0.842 1.000 0.778 CB 1.136 10 residues pruned to eliminate duplicates Z: 9 12.431 1.842 0.476 0.890 0.875 0.875 CB 1.330 Z: 8 9.451 1.702 0.656 0.571 0.857 0.714 CA 1.380 Z: 12 18.484 1.851 0.893 0.841 1.000 0.818 CB 1.186 Z: 6 5.325 1.329 0.754 0.823 1.000 0.600 N 0.772 Z: 17 24.747 2.111 0.386 0.819 1.000 0.875 CA 1.603 17 residues pruned to eliminate duplicates Z: 18 31.429 1.900 0.854 0.887 1.000 0.941 N 1.561 18 residues pruned to eliminate duplicates Z: 16 35.104 2.018 0.946 0.913 1.000 0.800 CA 1.633 16 residues pruned to eliminate duplicates Z: 20 27.774 2.034 0.708 0.756 0.947 0.526 CB 1.542 19 residues pruned to eliminate duplicates Z: 16 18.115 2.032 0.400 0.778 0.933 0.667 CB 1.378 16 residues pruned to eliminate duplicates Z: 21 22.715 1.888 0.709 0.694 0.950 0.850 CB 1.388 9 residues pruned to eliminate duplicates Z: 9 16.513 1.667 1.069 0.909 1.000 0.875 CA 1.202 Z: 7 7.909 1.827 0.346 0.801 0.833 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 7 5.324 1.773 -0.020 0.570 0.833 0.500 O 1.402 Z: 10 5.969 1.744 0.308 0.355 0.778 0.444 N 1.311 Z: 12 24.656 2.031 1.108 0.770 1.000 0.636 CB 1.367 11 residues pruned to eliminate duplicates Z: 11 22.143 2.081 0.722 0.912 1.000 0.700 CB 1.384 12 residues pruned to eliminate duplicates Z: 17 7.438 1.664 0.562 0.266 0.938 0.438 CB 0.996 Z: 15 22.936 1.900 0.777 0.877 0.929 0.786 CB 1.420 15 residues pruned to eliminate duplicates Z: 16 19.061 2.019 0.438 0.879 1.000 0.800 CA 1.229 16 residues pruned to eliminate duplicates Z: 17 21.858 1.886 0.655 0.871 0.875 0.750 CB 1.460 17 residues pruned to eliminate duplicates Z: 19 25.728 1.845 0.683 0.850 1.000 0.833 CB 1.447 15 residues pruned to eliminate duplicates Z: 9 11.893 1.923 0.469 0.842 0.875 0.750 CB 1.268 Z: 15 31.215 2.063 0.607 0.925 1.000 0.857 CA 1.765 19 residues pruned to eliminate duplicates Z: 18 24.092 2.026 0.541 0.790 1.000 0.706 CA 1.451 18 residues pruned to eliminate duplicates Z: 7 10.392 1.900 0.562 0.817 0.833 0.500 CA 1.303 7 residues pruned to eliminate duplicates Z: 17 24.357 1.872 0.854 0.902 0.938 0.812 CA 1.335 Z: 16 19.403 1.782 0.564 0.831 1.000 0.933 CA 1.351 16 residues pruned to eliminate duplicates Z: 17 20.292 1.777 0.921 0.912 0.875 0.875 CB 1.202 17 residues pruned to eliminate duplicates Z: 17 18.893 1.800 0.436 0.941 1.000 0.938 CA 1.268 Z: 15 31.178 2.006 1.044 0.922 1.000 0.857 CA 1.429 16 residues pruned to eliminate duplicates Z: 32 18.355 1.857 0.480 0.472 0.935 0.677 CB 1.319 6 residues pruned to eliminate duplicates Z: 17 26.775 1.945 0.755 0.868 0.938 0.938 CA 1.529 17 residues pruned to eliminate duplicates Z: 14 16.346 1.686 0.584 0.858 1.000 0.846 CA 1.250 14 residues pruned to eliminate duplicates Z: 15 18.943 1.863 0.714 0.802 0.857 0.643 CB 1.421 15 residues pruned to eliminate duplicates Z: 17 12.676 1.754 0.310 0.822 0.938 0.812 CB 1.113 17 residues pruned to eliminate duplicates Z: 6 7.802 1.512 1.385 0.722 0.800 0.800 N 0.990 6 residues pruned to eliminate duplicates Z: 14 15.288 1.721 0.448 0.852 0.923 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 14 13.854 1.838 0.266 0.886 1.000 0.846 CA 1.192 Z: 17 32.047 1.838 1.021 0.925 1.000 0.688 CA 1.514 18 residues pruned to eliminate duplicates Z: 15 32.441 2.063 0.641 0.935 1.000 1.000 CA 1.786 15 residues pruned to eliminate duplicates Z: 13 15.386 1.863 0.504 0.811 1.000 0.750 CA 1.209 Z: 18 32.312 2.024 0.764 0.837 1.000 0.765 CB 1.642 22 residues pruned to eliminate duplicates Z: 7 10.368 1.636 0.704 0.839 1.000 0.500 CB 1.134 Z: 17 19.998 1.818 0.447 0.923 1.000 0.812 CA 1.337 17 residues pruned to eliminate duplicates Z: 16 26.033 1.937 0.772 0.869 1.000 0.800 CA 1.430 Z: 12 19.903 1.984 0.613 0.860 1.000 0.818 CA 1.378 13 residues pruned to eliminate duplicates Z: 18 27.862 2.003 0.532 0.860 1.000 0.882 CB 1.620 18 residues pruned to eliminate duplicates Z: 12 9.442 1.738 0.171 0.539 1.000 0.545 CA 1.347 10 residues pruned to eliminate duplicates Z: 22 20.878 1.851 0.659 0.778 0.905 0.714 CB 1.283 14 residues pruned to eliminate duplicates Z: 22 14.144 1.872 0.398 0.469 0.905 0.667 CB 1.345 22 residues pruned to eliminate duplicates Z: 17 18.842 1.815 0.547 0.930 0.938 0.938 CA 1.251 17 residues pruned to eliminate duplicates Z: 9 7.559 1.764 0.629 0.450 0.750 0.500 CB 1.305 9 residues pruned to eliminate duplicates Z: 10 4.299 1.775 -0.006 0.466 0.889 0.556 CB 0.946 Z: 15 17.249 1.804 0.734 0.756 0.929 0.500 CB 1.264 Z: 14 18.688 1.886 0.690 0.840 0.846 0.846 CA 1.434 14 residues pruned to eliminate duplicates Z: 14 25.546 1.974 0.671 0.920 0.923 0.692 CA 1.638 14 residues pruned to eliminate duplicates Z: 14 16.985 1.799 0.691 0.882 0.923 0.923 CA 1.214 14 residues pruned to eliminate duplicates Z: 16 18.330 1.925 0.247 0.931 1.000 0.867 CA 1.378 15 residues pruned to eliminate duplicates Z: 11 8.590 1.497 0.256 0.818 1.000 0.900 CB 1.096 Z: 14 24.044 1.968 0.686 0.906 1.000 0.615 CA 1.430 14 residues pruned to eliminate duplicates Z: 16 20.021 1.949 0.461 0.921 1.000 0.933 CA 1.278 16 residues pruned to eliminate duplicates Z: 29 16.156 1.783 0.563 0.499 0.929 0.429 CB 1.181 25 residues pruned to eliminate duplicates Z: 13 14.973 1.761 0.702 0.792 1.000 0.667 CA 1.116 13 residues pruned to eliminate duplicates Z: 6 5.158 1.785 0.268 0.285 1.000 0.800 CB 1.299 Z: 20 25.031 1.940 0.626 0.751 1.000 0.842 CA 1.455 20 residues pruned to eliminate duplicates Z: 8 10.016 1.709 0.206 0.872 1.000 1.000 CA 1.338 7 residues pruned to eliminate duplicates Z: 17 24.314 1.832 0.878 0.895 0.938 0.812 CA 1.351 17 residues pruned to eliminate duplicates Z: 16 18.835 1.821 0.558 0.890 1.000 0.933 CA 1.233 16 residues pruned to eliminate duplicates Z: 20 17.282 1.939 0.235 0.778 0.947 0.737 CA 1.368 20 residues pruned to eliminate duplicates Z: 19 29.150 1.869 0.779 0.924 1.000 0.889 N 1.452 19 residues pruned to eliminate duplicates Z: 11 11.568 1.700 0.414 0.890 1.000 0.900 CB 1.094 11 residues pruned to eliminate duplicates Z: 16 9.967 1.782 0.496 0.447 0.867 0.533 CB 1.177 15 residues pruned to eliminate duplicates Z: 11 18.873 1.860 0.567 0.862 1.000 0.700 CA 1.504 Z: 16 24.435 1.974 0.445 0.937 1.000 1.000 CA 1.539 15 residues pruned to eliminate duplicates Z: 15 26.234 2.173 0.507 0.836 1.000 0.929 CA 1.603 15 residues pruned to eliminate duplicates Z: 14 21.165 1.971 0.655 0.903 0.923 0.846 CB 1.389 15 residues pruned to eliminate duplicates Z: 16 20.651 1.858 0.768 0.909 1.000 0.867 CB 1.152 15 residues pruned to eliminate duplicates Z: 21 16.129 1.759 0.653 0.637 0.850 0.400 CA 1.284 21 residues pruned to eliminate duplicates Z: 15 26.996 2.014 0.788 0.901 1.000 0.786 CA 1.431 15 residues pruned to eliminate duplicates Z: 28 22.030 1.922 0.818 0.476 0.889 0.667 CA 1.398 8 residues pruned to eliminate duplicates Z: 16 17.005 1.818 0.896 0.860 0.867 0.467 CB 1.081 16 residues pruned to eliminate duplicates Z: 17 10.628 1.835 0.554 0.386 0.812 0.375 CB 1.295 17 residues pruned to eliminate duplicates Z: 8 4.893 1.794 0.527 0.522 0.571 0.429 CB 1.156 Z: 15 15.224 1.835 0.369 0.898 0.929 0.929 CA 1.248 15 residues pruned to eliminate duplicates Z: 9 12.769 1.950 0.814 0.400 1.000 0.625 CB 1.419 Z: 7 5.557 1.888 0.335 0.686 0.667 0.667 CB 1.138 7 residues pruned to eliminate duplicates Z: 8 12.959 1.734 0.620 0.790 1.000 0.857 CB 1.351 Z: 13 8.317 1.683 0.337 0.363 0.917 0.583 CA 1.350 Z: 15 22.176 1.888 0.624 0.879 0.929 0.857 CB 1.509 14 residues pruned to eliminate duplicates Z: 15 12.851 1.701 0.213 0.934 1.000 0.929 CB 1.161 15 residues pruned to eliminate duplicates Z: 19 22.132 1.798 0.724 0.844 0.944 0.667 CA 1.325 19 residues pruned to eliminate duplicates Z: 30 19.711 1.977 0.411 0.522 0.897 0.517 CB 1.433 29 residues pruned to eliminate duplicates Z: 18 29.649 1.891 0.829 0.872 1.000 0.882 CA 1.515 18 residues pruned to eliminate duplicates Z: 16 25.622 2.086 0.678 0.836 1.000 0.733 CB 1.415 16 residues pruned to eliminate duplicates Z: 18 18.741 1.826 0.589 0.848 0.941 0.471 CB 1.235 16 residues pruned to eliminate duplicates Z: 14 13.142 1.897 0.627 0.451 1.000 0.615 CA 1.242 Z: 12 15.447 1.752 0.442 0.885 1.000 0.909 CA 1.331 11 residues pruned to eliminate duplicates Z: 12 16.711 1.906 0.247 0.917 1.000 1.000 CA 1.497 12 residues pruned to eliminate duplicates Z: 17 32.221 1.886 1.017 0.925 1.000 0.938 CA 1.486 17 residues pruned to eliminate duplicates Z: 15 18.515 1.906 0.570 0.918 0.857 0.571 CB 1.361 15 residues pruned to eliminate duplicates Z: 8 14.299 1.981 0.479 0.874 1.000 0.714 CA 1.343 8 residues pruned to eliminate duplicates Z: 15 18.751 1.844 0.714 0.848 0.857 0.786 CA 1.371 15 residues pruned to eliminate duplicates Z: 16 32.999 2.002 1.055 0.939 1.000 0.733 CA 1.439 16 residues pruned to eliminate duplicates Z: 20 21.487 1.901 0.591 0.775 0.947 0.789 CA 1.349 20 residues pruned to eliminate duplicates Z: 12 12.008 1.706 0.634 0.800 0.909 0.636 CB 1.099 12 residues pruned to eliminate duplicates Z: 23 15.680 1.719 0.245 0.815 1.000 0.727 CA 1.189 23 residues pruned to eliminate duplicates Z: 16 12.281 1.699 0.375 0.745 0.867 0.733 CA 1.258 16 residues pruned to eliminate duplicates Z: 7 12.777 1.634 0.945 0.827 1.000 0.833 CA 1.237 7 residues pruned to eliminate duplicates Z: 11 11.767 1.875 0.329 0.872 1.000 0.900 CB 1.089 Z: 15 29.150 2.047 0.512 0.937 1.000 0.929 CA 1.751 16 residues pruned to eliminate duplicates Z: 8 3.492 1.567 -0.027 0.408 0.857 0.286 CA 1.113 7 residues pruned to eliminate duplicates Z: 10 5.593 1.756 0.371 0.565 0.778 0.556 CB 0.934 10 residues pruned to eliminate duplicates Z: 10 16.545 1.821 0.647 0.880 1.000 1.000 CA 1.332 10 residues pruned to eliminate duplicates Z: 19 10.374 1.726 0.598 0.334 0.833 0.556 CB 1.276 Z: 11 14.147 1.983 0.368 0.829 0.900 0.700 CA 1.379 11 residues pruned to eliminate duplicates Z: 17 8.562 1.795 0.192 0.406 0.875 0.500 CB 1.262 13 residues pruned to eliminate duplicates Z: 19 14.812 1.900 0.558 0.744 0.778 0.611 CA 1.219 19 residues pruned to eliminate duplicates Z: 13 16.504 1.751 0.693 0.846 0.917 0.750 CA 1.303 Z: 18 30.776 1.886 0.932 0.932 1.000 0.941 N 1.430 18 residues pruned to eliminate duplicates Z: 9 5.970 1.733 0.061 0.436 0.875 0.500 CA 1.401 9 residues pruned to eliminate duplicates Z: 22 14.241 1.713 0.536 0.381 0.952 0.476 CA 1.407 17 residues pruned to eliminate duplicates Z: 16 21.167 1.883 0.485 0.876 1.000 1.000 CA 1.420 16 residues pruned to eliminate duplicates Z: 40 23.142 1.911 0.466 0.536 0.974 0.667 CB 1.310 19 residues pruned to eliminate duplicates Z: 17 26.470 1.910 0.557 0.894 0.938 0.812 O 1.702 17 residues pruned to eliminate duplicates Z: 34 25.988 1.964 0.555 0.596 0.970 0.576 CA 1.394 31 residues pruned to eliminate duplicates Z: 17 25.316 1.849 0.960 0.880 0.938 0.812 CB 1.350 17 residues pruned to eliminate duplicates Z: 18 29.473 1.831 0.903 0.905 1.000 0.882 CA 1.459 18 residues pruned to eliminate duplicates Z: 17 14.896 1.756 0.298 0.887 1.000 0.812 CA 1.178 16 residues pruned to eliminate duplicates Z: 13 20.583 1.971 0.532 0.928 1.000 0.917 CA 1.378 13 residues pruned to eliminate duplicates Z: 16 13.505 1.822 0.296 0.794 0.933 0.667 CA 1.222 16 residues pruned to eliminate duplicates Z: 18 23.886 1.805 1.014 0.756 1.000 0.647 CB 1.269 17 residues pruned to eliminate duplicates Z: 18 25.623 1.811 0.698 0.929 1.000 1.000 CA 1.414 18 residues pruned to eliminate duplicates Z: 16 28.005 1.946 0.830 0.935 1.000 0.667 CA 1.415 16 residues pruned to eliminate duplicates Z: 16 20.486 1.908 0.538 0.926 1.000 0.933 CA 1.264 16 residues pruned to eliminate duplicates Z: 24 13.715 1.803 0.449 0.494 0.870 0.522 CB 1.266 12 residues pruned to eliminate duplicates Z: 12 16.680 1.702 0.593 0.856 1.000 0.636 CA 1.368 12 residues pruned to eliminate duplicates Z: 17 13.499 1.844 0.548 0.482 0.875 0.750 CB 1.376 17 residues pruned to eliminate duplicates Z: 16 18.397 1.903 0.619 0.833 0.867 0.600 CA 1.334 16 residues pruned to eliminate duplicates Z: 14 14.167 1.952 0.403 0.899 0.923 0.769 CB 1.111 14 residues pruned to eliminate duplicates Z: 19 18.626 1.915 0.549 0.801 0.944 0.778 CA 1.204 19 residues pruned to eliminate duplicates Z: 17 26.553 1.851 0.803 0.925 1.000 0.938 CA 1.395 17 residues pruned to eliminate duplicates Z: 17 10.199 1.890 0.324 0.480 0.812 0.562 CB 1.280 16 residues pruned to eliminate duplicates Z: 8 11.349 1.760 0.626 0.879 1.000 1.000 CA 1.087 8 residues pruned to eliminate duplicates Z: 16 18.434 1.896 0.476 0.927 1.000 0.933 CA 1.193 16 residues pruned to eliminate duplicates Z: 17 30.798 1.848 0.974 0.942 1.000 0.875 N 1.464 17 residues pruned to eliminate duplicates Z: 17 16.605 1.743 0.697 0.902 0.875 0.875 CB 1.144 16 residues pruned to eliminate duplicates Z: 19 18.390 1.811 0.635 0.872 0.889 0.833 CB 1.199 18 residues pruned to eliminate duplicates Z: 17 26.794 1.813 0.755 0.878 1.000 0.688 CB 1.527 17 residues pruned to eliminate duplicates Z: 11 11.081 1.745 0.411 0.770 1.000 0.700 CA 1.120 11 residues pruned to eliminate duplicates Z: 9 6.460 1.658 0.545 0.391 0.875 0.500 CB 1.144 Z: 18 26.848 1.876 0.785 0.889 0.941 0.765 CA 1.488 18 residues pruned to eliminate duplicates Z: 9 10.889 1.812 0.274 0.874 1.000 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 22 17.976 1.883 0.745 0.492 0.857 0.571 CB 1.404 20 residues pruned to eliminate duplicates Z: 16 25.940 1.839 0.938 0.888 0.933 0.667 CB 1.450 16 residues pruned to eliminate duplicates Z: 18 7.835 1.507 0.383 0.399 0.882 0.471 CB 1.150 17 residues pruned to eliminate duplicates Z: 27 11.851 1.800 0.507 0.386 0.846 0.692 CB 1.144 19 residues pruned to eliminate duplicates Z: 12 17.373 1.813 0.639 0.894 1.000 0.636 CB 1.265 12 residues pruned to eliminate duplicates Z: 14 17.593 1.781 0.349 0.915 1.000 0.846 CA 1.435 14 residues pruned to eliminate duplicates Z: 15 7.017 1.616 0.536 0.445 0.786 0.429 CB 1.018 Z: 11 7.989 1.618 0.532 0.509 0.800 0.500 CA 1.263 Z: 29 16.688 1.818 0.722 0.446 0.857 0.429 CB 1.243 29 residues pruned to eliminate duplicates Z: 11 4.456 1.753 0.401 0.369 0.700 0.400 CB 0.943 Z: 16 23.317 1.946 0.702 0.914 0.933 0.733 CA 1.377 16 residues pruned to eliminate duplicates Z: 16 19.851 1.850 0.597 0.897 0.933 0.800 CA 1.330 16 residues pruned to eliminate duplicates Z: 6 7.184 1.680 0.052 0.793 1.000 0.800 N 1.406 6 residues pruned to eliminate duplicates Z: 21 10.645 1.751 0.504 0.410 0.800 0.300 CB 1.241 15 residues pruned to eliminate duplicates Z: 26 17.868 1.737 0.502 0.691 0.920 0.560 CB 1.249 26 residues pruned to eliminate duplicates Z: 10 13.987 1.677 0.444 0.888 1.000 0.889 CB 1.387 Z: 9 9.455 1.839 0.294 0.856 1.000 0.750 CB 1.036 9 residues pruned to eliminate duplicates Z: 14 19.569 1.970 0.586 0.897 0.923 0.923 CA 1.347 14 residues pruned to eliminate duplicates Z: 12 8.754 1.538 0.340 0.868 1.000 0.727 CB 0.936 11 residues pruned to eliminate duplicates Z: 19 19.783 1.898 0.660 0.800 0.944 0.556 CB 1.205 19 residues pruned to eliminate duplicates Z: 19 26.194 1.878 0.743 0.915 0.944 0.944 CA 1.411 19 residues pruned to eliminate duplicates Z: 18 22.197 1.734 0.713 0.935 1.000 0.824 CA 1.263 18 residues pruned to eliminate duplicates Z: 15 28.242 2.009 0.816 0.921 1.000 0.929 CA 1.456 15 residues pruned to eliminate duplicates Z: 8 14.759 1.881 0.363 0.868 1.000 0.714 CB 1.591 Z: 7 3.923 1.557 0.105 0.458 0.833 0.500 CB 1.165 Z: 15 18.647 1.848 0.454 0.902 1.000 1.000 CA 1.323 15 residues pruned to eliminate duplicates Z: 17 17.825 2.013 0.447 0.806 0.938 0.625 CB 1.249 17 residues pruned to eliminate duplicates Z: 16 29.733 2.005 0.685 0.940 0.933 0.933 CB 1.691 15 residues pruned to eliminate duplicates Z: 18 22.927 1.773 0.776 0.888 0.941 0.824 CA 1.351 18 residues pruned to eliminate duplicates Z: 13 15.500 1.893 0.483 0.788 1.000 0.583 CA 1.237 13 residues pruned to eliminate duplicates Z: 15 19.774 1.955 0.487 0.893 0.929 0.929 CA 1.406 15 residues pruned to eliminate duplicates Z: 16 20.364 1.893 0.577 0.895 0.933 0.467 CB 1.353 16 residues pruned to eliminate duplicates Z: 17 17.860 1.742 0.777 0.777 1.000 0.625 CB 1.130 17 residues pruned to eliminate duplicates Z: 11 15.230 1.773 0.562 0.875 1.000 0.700 CA 1.265 11 residues pruned to eliminate duplicates Z: 17 29.717 1.841 0.853 0.923 1.000 0.750 CB 1.531 17 residues pruned to eliminate duplicates Z: 31 21.203 1.949 0.499 0.535 0.933 0.600 CB 1.371 31 residues pruned to eliminate duplicates Z: 9 18.726 1.746 0.937 0.903 1.000 1.000 CB 1.395 10 residues pruned to eliminate duplicates Z: 18 22.274 1.808 0.796 0.782 1.000 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 19 20.046 1.754 0.770 0.769 1.000 0.778 CB 1.198 19 residues pruned to eliminate duplicates Z: 11 11.157 1.705 0.437 0.844 1.000 0.600 CB 1.071 11 residues pruned to eliminate duplicates Z: 15 19.147 1.958 0.320 0.935 1.000 0.929 CA 1.379 15 residues pruned to eliminate duplicates Z: 17 12.396 1.744 0.288 0.777 0.938 0.938 CB 1.153 10 residues pruned to eliminate duplicates Z: 9 13.874 1.719 0.591 0.899 1.000 1.000 CB 1.282 9 residues pruned to eliminate duplicates Z: 24 12.990 1.732 0.617 0.558 0.957 0.652 CB 0.956 24 residues pruned to eliminate duplicates Z: 17 12.912 1.822 0.377 0.604 0.938 0.688 CB 1.244 26 residues pruned to eliminate duplicates Z: 15 31.509 2.009 1.073 0.948 1.000 0.857 CA 1.397 15 residues pruned to eliminate duplicates Z: 15 18.019 1.929 0.437 0.847 1.000 0.786 CA 1.290 15 residues pruned to eliminate duplicates Z: 6 3.078 1.658 0.120 0.831 0.800 0.600 CB 0.696 6 residues pruned to eliminate duplicates Z: 22 17.530 1.776 0.441 0.652 0.952 0.714 CB 1.364 16 residues pruned to eliminate duplicates Z: 12 12.633 1.712 0.489 0.585 1.000 0.636 CB 1.378 12 residues pruned to eliminate duplicates Z: 21 7.903 1.690 0.366 0.306 0.800 0.600 CB 1.186 8 residues pruned to eliminate duplicates Z: 11 15.038 2.029 0.592 0.869 0.900 0.700 CA 1.195 11 residues pruned to eliminate duplicates Z: 9 6.074 1.797 0.342 0.522 0.625 0.375 CA 1.393 9 residues pruned to eliminate duplicates Z: 18 19.821 2.012 0.396 0.749 0.941 0.824 CA 1.457 18 residues pruned to eliminate duplicates Z: 7 6.217 1.557 0.696 0.577 0.833 0.333 N 1.071 7 residues pruned to eliminate duplicates Z: 8 10.572 1.903 0.700 0.668 0.857 0.714 CB 1.234 8 residues pruned to eliminate duplicates Z: 16 23.795 1.867 0.806 0.856 0.933 0.800 CB 1.439 16 residues pruned to eliminate duplicates Z: 17 18.071 1.836 0.436 0.890 1.000 0.938 CA 1.233 17 residues pruned to eliminate duplicates Z: 8 13.312 1.876 0.559 0.904 1.000 1.000 CA 1.225 8 residues pruned to eliminate duplicates Z: 18 21.317 1.794 0.875 0.904 0.941 0.824 CB 1.163 22 residues pruned to eliminate duplicates Z: 35 17.728 1.868 0.591 0.402 0.912 0.471 CB 1.243 30 residues pruned to eliminate duplicates Z: 17 17.448 1.868 0.361 0.884 0.938 0.875 CA 1.322 17 residues pruned to eliminate duplicates Z: 9 9.890 1.799 0.255 0.880 1.000 0.750 CB 1.122 Z: 15 6.928 1.729 0.307 0.323 0.929 0.429 CB 1.072 12 residues pruned to eliminate duplicates Z: 9 11.054 1.628 0.780 0.879 1.000 0.500 CB 0.978 9 residues pruned to eliminate duplicates Z: 13 14.793 1.826 0.474 0.777 1.000 0.667 CA 1.243 12 residues pruned to eliminate duplicates Z: 7 8.118 1.915 0.513 0.519 1.000 0.667 CB 1.122 Z: 17 22.399 2.063 0.467 0.826 0.938 0.750 CB 1.488 14 residues pruned to eliminate duplicates Z: 10 12.612 1.834 0.898 0.870 1.000 0.778 CB 0.882 10 residues pruned to eliminate duplicates Z: 13 4.361 1.533 0.167 0.418 0.833 0.750 CB 0.919 Z: 11 15.640 1.759 0.606 0.826 1.000 0.800 CA 1.321 11 residues pruned to eliminate duplicates Z: 7 8.318 1.691 0.646 0.872 0.833 0.667 N 1.067 7 residues pruned to eliminate duplicates Z: 8 3.411 1.646 0.343 0.402 0.857 0.571 CB 0.755 Z: 16 17.993 2.015 0.351 0.844 1.000 0.800 CA 1.269 16 residues pruned to eliminate duplicates Z: 19 19.856 1.946 0.377 0.829 0.944 0.722 CA 1.391 19 residues pruned to eliminate duplicates Z: 27 16.419 1.784 0.564 0.560 0.846 0.654 CB 1.286 27 residues pruned to eliminate duplicates Z: 11 12.846 1.623 0.531 0.894 1.000 0.900 CB 1.173 11 residues pruned to eliminate duplicates Z: 31 21.796 1.943 0.606 0.533 0.900 0.700 CB 1.373 30 residues pruned to eliminate duplicates Z: 6 9.580 1.691 0.231 0.873 1.000 1.000 CA 1.499 Z: 16 28.861 1.946 1.006 0.928 1.000 0.800 CA 1.337 16 residues pruned to eliminate duplicates Z: 18 17.822 1.792 0.703 0.809 0.882 0.765 CA 1.226 18 residues pruned to eliminate duplicates Z: 7 6.799 1.757 0.252 0.524 1.000 0.667 CB 1.232 7 residues pruned to eliminate duplicates Z: 11 16.910 2.009 0.799 0.843 1.000 0.600 CB 1.102 11 residues pruned to eliminate duplicates Z: 20 9.652 1.802 0.470 0.432 0.737 0.368 CB 1.217 20 residues pruned to eliminate duplicates Z: 16 32.918 1.913 1.025 0.934 1.000 0.867 CB 1.530 16 residues pruned to eliminate duplicates Z: 17 25.197 1.837 1.171 0.929 0.938 0.875 CB 1.179 18 residues pruned to eliminate duplicates Z: 15 19.402 1.936 0.704 0.831 0.929 0.786 CB 1.271 15 residues pruned to eliminate duplicates Z: 13 13.541 1.686 0.461 0.908 1.000 0.750 CB 1.127 8 residues pruned to eliminate duplicates Z: 16 7.568 1.670 0.724 0.269 0.800 0.600 CB 1.104 16 residues pruned to eliminate duplicates Z: 18 21.283 1.915 0.717 0.756 0.941 0.706 CA 1.328 18 residues pruned to eliminate duplicates Z: 7 9.830 1.486 0.860 0.790 1.000 0.833 CB 1.125 7 residues pruned to eliminate duplicates Z: 17 27.363 1.846 1.002 0.933 1.000 0.688 CB 1.292 16 residues pruned to eliminate duplicates Z: 15 16.421 1.877 0.640 0.581 1.000 0.786 CB 1.319 15 residues pruned to eliminate duplicates Z: 15 32.715 2.032 0.766 0.939 1.000 0.929 CA 1.693 15 residues pruned to eliminate duplicates Z: 13 12.605 1.766 0.930 0.394 0.833 0.500 CA 1.433 10 residues pruned to eliminate duplicates Z: 17 20.798 1.809 0.609 0.942 1.000 0.938 CA 1.239 17 residues pruned to eliminate duplicates Z: 17 7.656 1.783 0.255 0.275 0.938 0.250 CB 1.177 17 residues pruned to eliminate duplicates Z: 16 25.996 1.885 0.791 0.908 1.000 0.933 CA 1.412 16 residues pruned to eliminate duplicates Z: 18 25.391 1.764 0.761 0.880 0.941 0.824 CA 1.526 18 residues pruned to eliminate duplicates Z: 30 26.386 1.940 0.731 0.650 0.966 0.655 CA 1.314 30 residues pruned to eliminate duplicates Z: 13 19.119 2.018 0.604 0.894 0.917 0.833 CA 1.334 13 residues pruned to eliminate duplicates Z: 14 13.127 1.843 0.210 0.879 1.000 0.769 CA 1.184 14 residues pruned to eliminate duplicates Z: 12 17.923 1.946 0.737 0.883 1.000 0.455 CB 1.155 12 residues pruned to eliminate duplicates Z: 17 16.642 1.905 0.421 0.816 0.938 0.750 CA 1.246 17 residues pruned to eliminate duplicates Z: 17 18.862 1.813 0.439 0.926 1.000 1.000 CA 1.267 17 residues pruned to eliminate duplicates Z: 15 9.917 1.673 0.782 0.724 0.714 0.500 CB 1.018 15 residues pruned to eliminate duplicates Z: 10 11.936 1.840 0.593 0.813 0.889 0.778 CB 1.163 11 residues pruned to eliminate duplicates Z: 19 16.031 1.964 0.662 0.559 0.889 0.500 CB 1.230 20 residues pruned to eliminate duplicates Z: 21 18.492 1.845 0.533 0.751 1.000 0.800 CA 1.169 21 residues pruned to eliminate duplicates Z: 41 16.276 1.873 0.479 0.414 0.875 0.575 CB 1.161 41 residues pruned to eliminate duplicates Z: 26 22.090 1.902 0.647 0.584 0.960 0.640 CB 1.356 18 residues pruned to eliminate duplicates Z: 7 3.255 1.677 0.048 0.214 0.833 0.500 CB 1.271 Z: 15 17.387 1.836 0.560 0.920 1.000 0.929 CA 1.142 15 residues pruned to eliminate duplicates Z: 8 5.961 1.751 0.421 0.459 0.714 0.286 CB 1.322 8 residues pruned to eliminate duplicates Z: 6 4.520 1.733 0.194 0.341 0.800 0.600 CB 1.452 6 residues pruned to eliminate duplicates Z: 7 7.695 1.695 0.261 0.813 0.833 0.500 N 1.343 6 residues pruned to eliminate duplicates Z: 15 22.255 1.897 0.912 0.912 0.929 0.571 CA 1.251 15 residues pruned to eliminate duplicates Z: 19 28.144 1.796 1.097 0.916 0.944 0.556 N 1.317 19 residues pruned to eliminate duplicates Z: 7 5.400 1.766 0.396 0.383 0.833 0.500 CB 1.215 7 residues pruned to eliminate duplicates Z: 18 30.902 1.851 1.067 0.902 0.941 0.647 N 1.486 18 residues pruned to eliminate duplicates Z: 10 9.496 1.869 0.139 0.574 1.000 0.444 CB 1.385 10 residues pruned to eliminate duplicates Z: 20 26.333 1.937 0.718 0.762 0.947 0.526 CA 1.519 20 residues pruned to eliminate duplicates Z: 10 8.780 1.699 0.726 0.874 0.778 0.778 CB 0.934 10 residues pruned to eliminate duplicates Z: 13 15.780 1.720 0.518 0.915 1.000 0.917 CB 1.234 13 residues pruned to eliminate duplicates Z: 8 15.074 1.866 0.945 0.878 1.000 0.857 CA 1.139 Z: 16 18.688 1.886 0.591 0.824 1.000 0.800 CA 1.215 16 residues pruned to eliminate duplicates Z: 9 19.032 1.656 1.026 0.905 1.000 0.625 CB 1.428 8 residues pruned to eliminate duplicates Z: 8 4.819 1.587 0.156 0.446 0.857 0.571 CB 1.225 8 residues pruned to eliminate duplicates Z: 9 9.007 1.973 0.109 0.804 1.000 0.875 CB 1.116 9 residues pruned to eliminate duplicates Z: 17 29.516 1.815 0.954 0.917 1.000 0.750 CA 1.468 17 residues pruned to eliminate duplicates Z: 8 18.566 1.797 0.968 0.891 1.000 0.571 CB 1.426 8 residues pruned to eliminate duplicates Z: 15 28.820 2.021 0.664 0.936 1.000 0.786 CB 1.595 15 residues pruned to eliminate duplicates 8 1.100 1.155 0.082 0.213 0.571 0.429 C 0.817 ? Z: 13 5.842 1.719 0.201 0.328 0.750 0.417 CB 1.316 13 residues pruned to eliminate duplicates Z: 10 7.651 1.599 0.366 0.840 1.000 0.556 CB 0.871 11 residues pruned to eliminate duplicates Z: 17 34.538 1.888 1.064 0.943 1.000 0.875 CA 1.536 25 residues pruned to eliminate duplicates Z: 33 22.257 1.848 0.585 0.549 0.906 0.688 CB 1.413 25 residues pruned to eliminate duplicates Z: 14 16.943 2.016 0.461 0.875 0.846 0.846 CB 1.371 14 residues pruned to eliminate duplicates Z: 7 10.911 1.942 0.485 0.618 1.000 0.667 CB 1.381 7 residues pruned to eliminate duplicates Z: 11 5.940 1.536 0.615 0.458 0.900 0.500 CB 0.878 12 residues pruned to eliminate duplicates Z: 10 6.964 1.652 0.229 0.885 1.000 1.000 CB 0.826 Z: 43 22.373 1.903 0.486 0.469 0.905 0.571 CB 1.393 39 residues pruned to eliminate duplicates Z: 14 8.411 1.711 0.576 0.462 0.923 0.846 CA 0.974 14 residues pruned to eliminate duplicates Z: 11 17.098 1.815 0.566 0.858 1.000 0.800 CB 1.401 11 residues pruned to eliminate duplicates Z: 6 2.535 1.267 0.378 0.612 0.800 0.400 N 0.730 Z: 7 9.677 1.692 0.362 0.854 1.000 0.667 CA 1.266 Z: 15 22.442 1.946 0.747 0.909 0.929 0.929 CA 1.349 15 residues pruned to eliminate duplicates Z: 47 29.170 1.911 0.638 0.623 0.935 0.674 CB 1.309 51 residues pruned to eliminate duplicates Z: 13 19.783 1.875 1.088 0.804 0.917 0.500 CA 1.220 13 residues pruned to eliminate duplicates Z: 13 17.523 1.785 0.553 0.896 0.917 0.833 CA 1.426 14 residues pruned to eliminate duplicates Z: 12 8.228 1.563 0.576 0.487 0.818 0.636 CB 1.247 12 residues pruned to eliminate duplicates Z: 11 11.616 1.607 0.538 0.818 1.000 0.800 CB 1.127 11 residues pruned to eliminate duplicates Z: 14 13.480 1.675 0.301 0.876 1.000 0.692 CB 1.247 14 residues pruned to eliminate duplicates Z: 14 20.250 1.835 0.877 0.737 1.000 0.692 CA 1.318 14 residues pruned to eliminate duplicates Z: 15 13.444 1.760 0.616 0.570 0.929 0.786 CA 1.271 15 residues pruned to eliminate duplicates Z: 13 6.839 1.558 0.371 0.828 1.000 0.750 CB 0.697 Z: 16 16.819 1.830 0.451 0.810 0.933 0.800 CB 1.338 16 residues pruned to eliminate duplicates Z: 15 29.927 2.003 0.621 0.915 1.000 0.786 CA 1.740 16 residues pruned to eliminate duplicates Z: 13 14.672 1.690 0.626 0.922 1.000 0.833 CB 1.084 13 residues pruned to eliminate duplicates Z: 32 26.824 1.998 0.431 0.683 1.000 0.839 CA 1.424 32 residues pruned to eliminate duplicates Z: 15 18.948 1.836 0.637 0.933 1.000 1.000 CA 1.175 15 residues pruned to eliminate duplicates Z: 12 8.441 1.404 0.548 0.833 1.000 0.545 CB 0.879 12 residues pruned to eliminate duplicates Z: 7 2.760 1.563 -0.104 0.449 0.833 0.667 CB 1.017 Z: 15 31.587 1.984 1.025 0.940 1.000 0.786 CA 1.460 15 residues pruned to eliminate duplicates Z: 10 10.783 1.671 0.558 0.863 1.000 1.000 CB 1.013 Z: 6 4.903 1.635 0.484 0.590 0.800 0.600 CB 1.036 Z: 6 2.848 1.223 0.663 0.338 0.800 0.600 CB 0.934 Z: 10 6.692 1.505 0.280 0.738 1.000 0.667 CB 0.935 10 residues pruned to eliminate duplicates Z: 8 7.562 1.635 0.328 0.810 1.000 0.857 CB 1.004 8 residues pruned to eliminate duplicates Z: 8 10.213 1.712 0.502 0.701 1.000 0.429 CB 1.250 Z: 7 8.268 1.793 0.876 0.467 0.833 0.667 CB 1.245 Z: 17 7.976 1.725 0.673 0.323 0.812 0.438 CB 1.033 17 residues pruned to eliminate duplicates Z: 39 15.324 1.786 0.647 0.479 0.816 0.474 CB 1.058 39 residues pruned to eliminate duplicates Z: 11 8.799 1.572 0.418 0.851 1.000 0.700 CB 0.924 11 residues pruned to eliminate duplicates Z: 39 22.972 1.896 0.698 0.547 0.895 0.632 CB 1.236 39 residues pruned to eliminate duplicates Z: 26 14.264 1.881 0.405 0.412 0.920 0.680 CB 1.286 26 residues pruned to eliminate duplicates Z: 14 20.939 1.946 0.415 0.923 1.000 1.000 CA 1.482 14 residues pruned to eliminate duplicates Z: 10 13.415 1.753 0.518 0.913 1.000 0.889 CB 1.190 10 residues pruned to eliminate duplicates Z: 6 4.261 1.488 0.433 0.758 0.800 0.600 CA 0.887 6 residues pruned to eliminate duplicates Z: 13 13.468 1.831 0.581 0.454 1.000 0.750 CB 1.407 13 residues pruned to eliminate duplicates Z: 7 10.236 1.744 0.336 0.824 1.000 1.000 CB 1.354 6 residues pruned to eliminate duplicates Z: 32 15.369 1.812 0.638 0.464 0.806 0.613 CB 1.196 32 residues pruned to eliminate duplicates Z: 14 16.777 1.857 0.852 0.812 0.769 0.308 CB 1.341 14 residues pruned to eliminate duplicates Z: 6 9.974 1.908 0.429 0.701 1.000 0.800 CB 1.362 6 residues pruned to eliminate duplicates Z: 9 6.754 1.536 0.187 0.809 1.000 0.500 CB 1.001 9 residues pruned to eliminate duplicates Z: 18 17.557 1.772 0.685 0.771 0.941 0.882 CB 1.192 18 residues pruned to eliminate duplicates Z: 8 8.406 1.749 0.577 0.432 0.857 0.571 CB 1.442 9 residues pruned to eliminate duplicates Z: 7 8.215 1.712 0.579 0.879 0.667 0.500 CA 1.349 7 residues pruned to eliminate duplicates Z: 13 8.017 1.652 0.674 0.402 0.833 0.667 N 1.114 5 residues pruned to eliminate duplicates Z: 16 19.328 1.867 0.527 0.887 1.000 0.867 CA 1.263 16 residues pruned to eliminate duplicates Z: 13 12.920 1.894 0.323 0.852 1.000 0.917 CA 1.101 13 residues pruned to eliminate duplicates Z: 10 9.588 1.661 0.632 0.520 0.889 0.778 CB 1.301 Z: 12 6.275 1.733 0.450 0.377 0.818 0.273 CB 1.049 10 residues pruned to eliminate duplicates Z: 6 4.021 1.379 0.568 0.581 0.800 0.600 CA 0.962 Z: 10 6.665 1.527 0.475 0.860 0.889 0.444 CB 0.815 10 residues pruned to eliminate duplicates Z: 15 9.806 1.756 0.478 0.452 0.857 0.571 CB 1.238 Z: 11 15.095 1.830 0.638 0.813 1.000 0.800 CB 1.213 10 residues pruned to eliminate duplicates 6 1.607 1.473 0.551 0.376 0.400 0.400 CB 0.897 ? Z: 8 9.022 1.791 0.484 0.808 1.000 0.571 CB 0.981 8 residues pruned to eliminate duplicates Z: 10 9.776 1.617 0.587 0.868 0.889 0.333 CB 1.043 10 residues pruned to eliminate duplicates Z: 12 10.153 1.685 0.619 0.790 0.818 0.727 CA 1.063 11 residues pruned to eliminate duplicates Z: 22 15.750 1.901 0.603 0.561 0.857 0.476 CB 1.241 14 residues pruned to eliminate duplicates Z: 14 16.993 1.977 0.247 0.912 1.000 0.846 CA 1.354 14 residues pruned to eliminate duplicates Z: 13 7.407 1.564 0.247 0.881 1.000 0.833 CB 0.794 13 residues pruned to eliminate duplicates Z: 6 4.105 1.591 -0.062 0.661 0.800 0.600 CB 1.324 Z: 12 13.179 1.595 0.603 0.860 1.000 0.909 CB 1.142 12 residues pruned to eliminate duplicates Z: 16 14.097 1.810 0.675 0.894 0.933 0.867 CB 0.923 16 residues pruned to eliminate duplicates Z: 7 8.134 1.841 0.735 0.731 0.833 0.833 CB 1.013 Z: 14 15.803 1.919 0.255 0.901 1.000 1.000 CB 1.298 14 residues pruned to eliminate duplicates Z: 7 6.927 1.650 0.731 0.554 0.833 0.667 N 1.128 7 residues pruned to eliminate duplicates Z: 8 6.532 1.540 0.288 0.789 0.857 0.714 CA 1.126 Z: 17 21.000 1.812 0.653 0.921 1.000 0.875 CA 1.233 17 residues pruned to eliminate duplicates Z: 23 16.051 1.720 0.565 0.530 0.955 0.636 CB 1.293 21 residues pruned to eliminate duplicates Z: 31 15.116 1.781 0.424 0.448 0.833 0.600 CB 1.378 31 residues pruned to eliminate duplicates Z: 12 5.814 1.725 -0.008 0.386 1.000 0.818 CB 1.156 6 residues pruned to eliminate duplicates Z: 7 6.951 1.664 0.373 0.637 1.000 0.667 CB 1.093 Z: 9 14.357 1.715 0.784 0.833 0.875 0.625 CB 1.422 9 residues pruned to eliminate duplicates Z: 9 7.286 1.810 0.370 0.422 0.875 0.625 CB 1.288 9 residues pruned to eliminate duplicates Z: 18 21.529 1.718 0.827 0.898 1.000 0.824 CA 1.190 18 residues pruned to eliminate duplicates Z: 13 13.006 1.626 0.451 0.877 1.000 0.667 CB 1.156 13 residues pruned to eliminate duplicates Z: 11 13.678 1.766 0.570 0.926 1.000 0.900 CB 1.094 11 residues pruned to eliminate duplicates Z: 24 8.614 1.683 0.516 0.326 0.826 0.478 CB 1.032 19 residues pruned to eliminate duplicates Z: 6 2.479 1.411 0.527 0.299 0.800 0.400 CB 0.804 Z: 15 25.718 1.961 0.886 0.896 0.929 0.714 CA 1.433 15 residues pruned to eliminate duplicates Z: 11 5.900 1.653 0.362 0.503 0.800 0.400 CB 1.032 11 residues pruned to eliminate duplicates Z: 32 24.022 1.926 0.592 0.663 0.903 0.645 CB 1.341 32 residues pruned to eliminate duplicates Z: 18 22.945 1.735 1.045 0.764 1.000 0.588 CB 1.240 18 residues pruned to eliminate duplicates Z: 13 4.967 1.611 0.243 0.451 0.667 0.417 CB 1.129 13 residues pruned to eliminate duplicates Z: 11 6.577 1.660 0.323 0.769 0.700 0.400 CB 1.067 12 residues pruned to eliminate duplicates Z: 14 10.268 1.723 0.725 0.460 0.923 0.692 CB 1.081 7 residues pruned to eliminate duplicates Z: 18 11.248 1.691 0.422 0.567 0.882 0.588 CB 1.205 8 residues pruned to eliminate duplicates Z: 31 17.287 1.674 0.585 0.518 0.933 0.633 CB 1.252 31 residues pruned to eliminate duplicates Z: 6 3.731 1.714 -0.048 0.773 1.000 1.000 CB 0.804 Z: 9 4.377 1.533 0.606 0.476 0.625 0.375 N 1.031 9 residues pruned to eliminate duplicates Z: 14 12.897 1.623 0.576 0.851 0.923 0.846 CB 1.121 13 residues pruned to eliminate duplicates Z: 11 8.720 1.656 0.315 0.529 1.000 0.700 CB 1.231 6 residues pruned to eliminate duplicates Z: 17 27.349 1.853 0.774 0.897 1.000 0.812 CA 1.490 17 residues pruned to eliminate duplicates Z: 16 7.511 1.664 0.390 0.396 0.800 0.600 CB 1.170 16 residues pruned to eliminate duplicates Z: 7 10.802 1.580 0.770 0.805 1.000 0.667 CA 1.207 7 residues pruned to eliminate duplicates Z: 32 22.924 1.959 0.604 0.512 0.935 0.548 CB 1.383 39 residues pruned to eliminate duplicates Z: 22 11.282 1.736 0.373 0.444 0.857 0.429 CB 1.277 22 residues pruned to eliminate duplicates Z: 18 21.601 1.717 0.913 0.895 0.941 0.765 CA 1.216 18 residues pruned to eliminate duplicates Z: 12 12.911 1.574 0.490 0.915 1.000 0.818 CB 1.173 12 residues pruned to eliminate duplicates Z: 17 18.422 1.779 0.696 0.775 0.938 0.875 CA 1.278 17 residues pruned to eliminate duplicates Z: 12 18.349 1.923 0.434 0.903 1.000 0.909 CB 1.430 13 residues pruned to eliminate duplicates Z: 14 6.855 1.822 0.283 0.457 0.692 0.538 CA 1.228 14 residues pruned to eliminate duplicates Z: 9 6.071 1.616 0.696 0.382 0.750 0.375 N 1.185 9 residues pruned to eliminate duplicates Z: 10 8.538 1.819 0.477 0.413 0.889 0.778 CA 1.305 10 residues pruned to eliminate duplicates Z: 7 9.121 1.801 0.487 0.829 1.000 0.667 CB 1.046 7 residues pruned to eliminate duplicates Z: 6 2.774 1.438 0.148 0.392 0.800 0.600 O 1.054 Z: 9 6.136 1.608 0.386 0.824 0.875 0.625 CB 0.840 9 residues pruned to eliminate duplicates Z: 6 9.092 1.654 1.076 0.719 1.000 0.800 CB 0.971 6 residues pruned to eliminate duplicates Z: 10 4.042 1.648 0.302 0.389 0.778 0.444 CB 0.908 Z: 7 10.285 1.650 0.491 0.885 1.000 0.833 CA 1.232 7 residues pruned to eliminate duplicates Z: 8 12.613 1.760 0.477 0.831 1.000 0.571 CB 1.378 8 residues pruned to eliminate duplicates Z: 7 6.660 1.891 0.255 0.556 0.833 0.333 CB 1.302 7 residues pruned to eliminate duplicates Z: 10 17.124 1.900 0.638 0.803 1.000 0.444 CB 1.408 12 residues pruned to eliminate duplicates Z: 8 7.983 1.773 0.367 0.455 0.857 0.714 CB 1.521 8 residues pruned to eliminate duplicates Z: 7 2.443 1.556 0.519 0.083 0.667 0.167 N 1.085 Z: 8 4.718 1.845 0.446 0.353 0.857 0.429 CB 0.914 8 residues pruned to eliminate duplicates Z: 7 3.747 1.631 0.533 0.753 1.000 0.500 CB 0.489 Z: 12 5.801 1.560 0.370 0.470 0.818 0.364 CB 1.032 Z: 13 14.737 1.673 0.910 0.860 0.917 0.583 CB 1.068 13 residues pruned to eliminate duplicates Z: 6 6.146 1.529 0.867 0.831 1.000 0.600 CB 0.723 Z: 8 5.442 1.513 0.027 0.841 1.000 0.429 N 0.986 8 residues pruned to eliminate duplicates Z: 6 2.674 1.404 0.514 0.415 1.000 0.400 CB 0.615 Z: 11 7.990 1.678 0.467 0.427 0.900 0.600 CB 1.231 Z: 16 8.618 1.598 0.536 0.571 0.933 0.667 CB 0.907 17 residues pruned to eliminate duplicates Z: 16 22.550 1.898 0.606 0.930 1.000 1.000 CA 1.335 16 residues pruned to eliminate duplicates Z: 15 22.272 2.042 0.774 0.857 0.929 0.857 CB 1.304 15 residues pruned to eliminate duplicates Z: 11 11.803 2.031 0.435 0.820 1.000 0.700 CB 0.970 11 residues pruned to eliminate duplicates Z: 13 17.104 1.822 0.699 0.888 0.917 0.667 CA 1.254 13 residues pruned to eliminate duplicates Z: 18 27.108 1.803 1.098 0.929 0.882 0.765 CB 1.379 18 residues pruned to eliminate duplicates Z: 16 11.236 1.910 0.501 0.310 0.933 0.667 CB 1.339 16 residues pruned to eliminate duplicates Z: 12 11.794 1.524 0.669 0.825 1.000 0.636 CB 1.055 12 residues pruned to eliminate duplicates Z: 20 5.923 1.472 0.637 0.296 0.789 0.474 CB 0.898 28 residues pruned to eliminate duplicates Z: 12 16.682 1.783 0.754 0.779 1.000 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 21 19.248 1.898 0.571 0.690 0.900 0.500 CB 1.348 21 residues pruned to eliminate duplicates Z: 7 3.901 1.318 0.775 0.530 0.833 0.667 CB 0.793 Z: 7 7.621 1.640 0.647 0.529 1.000 0.833 N 1.119 5 residues pruned to eliminate duplicates Z: 7 13.913 1.852 0.711 0.873 1.000 0.667 CB 1.306 7 residues pruned to eliminate duplicates Z: 14 9.090 1.620 0.382 0.469 0.923 0.462 CA 1.259 12 residues pruned to eliminate duplicates Z: 8 8.737 1.529 0.481 0.856 1.000 0.857 CA 1.075 8 residues pruned to eliminate duplicates Z: 6 2.070 1.498 -0.130 0.806 1.000 0.600 CB 0.544 Z: 8 5.240 1.558 0.405 0.327 0.857 0.429 N 1.277 Z: 13 6.611 1.672 0.649 0.289 0.750 0.333 CA 1.170 13 residues pruned to eliminate duplicates Z: 9 8.168 1.645 0.137 0.879 1.000 0.875 CB 1.120 9 residues pruned to eliminate duplicates Z: 18 12.057 1.779 0.817 0.331 0.824 0.471 CB 1.321 18 residues pruned to eliminate duplicates Z: 14 15.357 1.744 0.318 0.865 1.000 0.769 CA 1.357 13 residues pruned to eliminate duplicates Z: 6 5.688 1.729 0.529 0.821 1.000 0.600 CB 0.728 6 residues pruned to eliminate duplicates Z: 6 2.304 1.235 0.210 0.389 1.000 0.400 O 0.776 Z: 13 21.639 1.799 0.953 0.883 1.000 0.750 CB 1.286 13 residues pruned to eliminate duplicates Z: 6 2.346 1.347 0.392 0.297 0.800 0.400 C 0.878 Z: 6 13.661 1.805 0.807 0.855 1.000 0.800 CB 1.383 6 residues pruned to eliminate duplicates Z: 17 13.938 1.770 0.646 0.521 0.938 0.500 CB 1.249 17 residues pruned to eliminate duplicates 6 1.644 1.436 0.887 0.368 0.600 0.400 CB 0.521 ? Z: 13 18.124 1.861 0.401 0.884 1.000 0.833 CB 1.451 13 residues pruned to eliminate duplicates Z: 14 10.784 1.664 0.510 0.507 1.000 0.692 CB 1.183 14 residues pruned to eliminate duplicates Z: 7 4.326 1.508 0.334 0.381 0.833 0.333 O 1.196 Z: 7 3.702 1.411 0.405 0.411 0.667 0.500 C 1.255 Z: 10 6.187 1.754 0.137 0.708 0.889 0.556 CB 0.964 10 residues pruned to eliminate duplicates Z: 6 4.557 1.676 0.076 0.862 1.000 1.000 CB 0.830 Z: 23 10.463 1.687 0.413 0.377 0.955 0.545 CB 1.118 23 residues pruned to eliminate duplicates Z: 8 11.305 1.831 0.752 0.838 1.000 0.714 CB 0.995 8 residues pruned to eliminate duplicates Z: 7 4.170 1.230 0.451 0.776 1.000 0.667 N 0.747 7 residues pruned to eliminate duplicates Z: 19 22.321 1.810 0.670 0.894 0.944 0.833 CA 1.322 19 residues pruned to eliminate duplicates Z: 12 13.186 1.679 0.360 0.854 1.000 0.727 CA 1.286 12 residues pruned to eliminate duplicates Z: 34 19.851 1.894 0.489 0.481 0.939 0.545 CB 1.330 34 residues pruned to eliminate duplicates Z: 21 6.606 1.539 0.453 0.352 0.800 0.250 CB 0.969 10 residues pruned to eliminate duplicates Z: 17 32.062 1.859 1.114 0.870 1.000 0.750 CA 1.488 17 residues pruned to eliminate duplicates Z: 11 4.943 1.603 0.417 0.295 0.700 0.600 CB 1.237 10 residues pruned to eliminate duplicates Z: 12 12.934 1.733 0.409 0.876 1.000 1.000 CA 1.160 12 residues pruned to eliminate duplicates Z: 16 10.842 1.730 0.559 0.434 0.867 0.800 CA 1.282 14 residues pruned to eliminate duplicates Z: 8 12.719 1.724 0.963 0.793 1.000 0.714 CA 1.098 8 residues pruned to eliminate duplicates Z: 6 3.119 1.561 0.159 0.544 0.800 0.600 CB 0.923 5 residues pruned to eliminate duplicates Z: 16 8.076 1.732 0.229 0.442 0.867 0.400 CB 1.201 16 residues pruned to eliminate duplicates Z: 22 11.347 1.762 0.407 0.395 0.905 0.333 CB 1.233 22 residues pruned to eliminate duplicates Z: 25 18.753 1.692 0.535 0.758 0.917 0.583 CA 1.278 25 residues pruned to eliminate duplicates Z: 19 7.262 1.789 0.473 0.206 0.722 0.389 CB 1.274 18 residues pruned to eliminate duplicates Z: 8 9.455 1.547 0.740 0.820 0.857 0.714 CA 1.173 8 residues pruned to eliminate duplicates Z: 12 12.878 1.715 0.446 0.855 0.909 0.727 CA 1.271 12 residues pruned to eliminate duplicates Z: 6 13.126 1.745 0.946 0.842 1.000 0.600 CA 1.289 6 residues pruned to eliminate duplicates Z: 9 5.943 1.686 0.198 0.636 0.875 0.625 CB 1.047 10 residues pruned to eliminate duplicates Z: 10 6.335 1.739 0.309 0.546 1.000 0.556 CB 0.887 10 residues pruned to eliminate duplicates Z: 10 13.263 1.833 0.440 0.904 1.000 0.778 CB 1.192 10 residues pruned to eliminate duplicates Z: 18 27.169 1.822 0.987 0.932 0.882 0.647 CB 1.440 18 residues pruned to eliminate duplicates 6 0.970 1.397 -0.271 0.550 0.800 0.400 CB 0.507 ? Z: 12 12.898 1.595 0.493 0.870 1.000 1.000 CB 1.192 12 residues pruned to eliminate duplicates Z: 11 11.447 1.886 0.418 0.801 1.000 0.900 CB 1.040 17 residues pruned to eliminate duplicates Z: 9 7.182 1.454 0.467 0.789 1.000 0.625 CA 0.923 Z: 11 13.479 1.819 0.711 0.826 0.800 0.700 CB 1.290 11 residues pruned to eliminate duplicates Z: 8 11.642 1.722 0.453 0.798 1.000 0.571 CA 1.355 7 residues pruned to eliminate duplicates Z: 8 7.139 1.548 0.357 0.857 0.857 0.857 N 1.104 8 residues pruned to eliminate duplicates Z: 6 6.373 1.607 0.945 0.800 1.000 1.000 CB 0.701 Z: 12 12.970 1.603 0.473 0.905 1.000 0.909 CB 1.179 12 residues pruned to eliminate duplicates Z: 13 9.067 1.683 0.692 0.579 0.917 0.500 CB 0.929 13 residues pruned to eliminate duplicates Z: 17 15.911 1.856 0.603 0.805 0.875 0.812 CA 1.171 17 residues pruned to eliminate duplicates Z: 8 14.025 1.809 0.493 0.837 1.000 0.714 CB 1.469 8 residues pruned to eliminate duplicates Z: 6 5.445 1.571 0.714 0.269 1.000 0.600 C 1.176 Z: 10 3.182 1.610 0.083 0.251 0.667 0.333 CB 1.214 10 residues pruned to eliminate duplicates Z: 11 12.003 1.721 0.616 0.599 1.000 1.000 CB 1.242 11 residues pruned to eliminate duplicates Z: 21 19.262 1.812 0.903 0.681 0.900 0.450 CB 1.175 21 residues pruned to eliminate duplicates Z: 6 7.431 1.607 0.457 0.510 1.000 0.600 O 1.406 6 1.985 1.638 0.281 0.295 0.600 0.400 CB 0.888 ? Z: 11 7.337 1.702 0.577 0.806 0.900 0.700 CB 0.736 9 residues pruned to eliminate duplicates Z: 7 7.172 1.792 0.390 0.868 1.000 0.833 CB 0.859 2 residues pruned to eliminate duplicates Z: 17 21.385 1.755 0.892 0.735 0.938 0.312 CA 1.390 17 residues pruned to eliminate duplicates Z: 22 9.349 1.656 0.494 0.317 0.810 0.571 CB 1.247 22 residues pruned to eliminate duplicates Z: 7 5.023 1.525 0.724 0.778 1.000 0.833 CB 0.611 Z: 16 21.668 1.787 0.723 0.819 1.000 0.600 CB 1.377 16 residues pruned to eliminate duplicates Z: 6 9.086 1.647 0.927 0.758 0.800 0.600 CB 1.272 6 residues pruned to eliminate duplicates Z: 14 14.261 1.921 0.089 0.907 1.000 0.846 CA 1.344 14 residues pruned to eliminate duplicates Z: 20 14.565 1.802 0.630 0.521 0.947 0.579 CB 1.177 20 residues pruned to eliminate duplicates Z: 6 2.369 1.463 0.280 0.638 0.800 0.600 CB 0.621 Z: 6 2.370 1.612 0.119 0.399 0.800 0.600 CB 0.817 Z: 17 29.444 1.891 0.931 0.927 1.000 0.938 CB 1.413 17 residues pruned to eliminate duplicates Z: 10 17.084 1.942 0.726 0.856 0.889 0.778 CB 1.410 10 residues pruned to eliminate duplicates Z: 7 3.119 1.440 -0.020 0.349 0.833 0.500 CB 1.276 Z: 7 3.855 1.568 0.076 0.625 1.000 0.667 CB 0.830 Z: 11 13.092 1.773 0.569 0.798 1.000 0.800 CA 1.147 11 residues pruned to eliminate duplicates Z: 22 8.654 1.704 0.310 0.400 0.762 0.524 CB 1.234 22 residues pruned to eliminate duplicates Z: 7 2.401 1.491 0.349 0.266 0.667 0.500 N 0.954 7 residues pruned to eliminate duplicates Z: 16 17.663 1.798 0.798 0.873 0.933 0.733 CB 1.101 16 residues pruned to eliminate duplicates Z: 8 4.679 1.736 0.281 0.435 0.714 0.286 CB 1.191 10 residues pruned to eliminate duplicates Z: 16 19.002 1.907 0.517 0.924 1.000 1.000 CA 1.191 16 residues pruned to eliminate duplicates Z: 10 11.215 1.977 0.448 0.816 1.000 0.667 CB 0.992 10 residues pruned to eliminate duplicates Z: 6 4.656 1.272 0.542 0.644 1.000 1.000 N 0.928 Z: 6 4.788 1.428 0.135 0.564 1.000 0.200 N 1.242 6 residues pruned to eliminate duplicates Z: 10 4.094 1.504 0.131 0.337 0.889 0.444 N 1.079 Z: 12 7.878 1.583 0.379 0.443 1.000 0.545 CB 1.155 12 residues pruned to eliminate duplicates Z: 9 5.647 1.685 0.370 0.575 0.750 0.625 CA 1.072 9 residues pruned to eliminate duplicates Z: 19 11.312 1.578 0.607 0.456 0.889 0.611 CB 1.237 17 residues pruned to eliminate duplicates Z: 8 5.355 1.640 0.292 0.405 1.000 0.714 CA 1.056 Z: 12 17.106 1.838 0.647 0.889 1.000 0.909 CA 1.226 12 residues pruned to eliminate duplicates Z: 18 6.032 1.624 0.237 0.195 0.824 0.412 CB 1.272 18 residues pruned to eliminate duplicates Z: 9 9.343 1.660 0.553 0.754 1.000 0.625 CB 1.022 8 residues pruned to eliminate duplicates Z: 21 8.724 1.719 0.475 0.384 0.850 0.500 CB 1.023 21 residues pruned to eliminate duplicates Z: 9 6.375 1.567 0.165 0.911 0.875 0.750 CB 1.000 9 residues pruned to eliminate duplicates Z: 12 10.756 1.893 0.345 0.788 0.909 0.727 CB 1.088 12 residues pruned to eliminate duplicates Z: 12 4.657 1.575 -0.005 0.405 0.818 0.364 CB 1.210 4 residues pruned to eliminate duplicates Z: 10 4.553 1.521 0.489 0.461 0.889 0.444 CB 0.785 Z: 6 12.821 1.910 1.055 0.839 0.800 0.600 CB 1.364 6 residues pruned to eliminate duplicates Z: 15 7.502 1.508 0.465 0.381 0.929 0.429 CB 1.109 15 residues pruned to eliminate duplicates Z: 12 12.398 1.511 0.585 0.924 1.000 0.909 CB 1.096 12 residues pruned to eliminate duplicates Z: 9 5.331 1.452 0.323 0.547 0.875 0.750 CB 1.071 Z: 7 4.928 1.233 0.967 0.472 1.000 0.500 CB 0.854 Z: 17 22.392 1.794 0.825 0.888 0.938 0.812 CB 1.314 17 residues pruned to eliminate duplicates Z: 13 13.203 1.622 0.675 0.780 0.917 0.583 CA 1.195 12 residues pruned to eliminate duplicates Z: 22 14.894 1.763 0.706 0.522 0.810 0.619 CB 1.307 22 residues pruned to eliminate duplicates Z: 6 6.075 1.795 0.290 0.629 0.800 0.400 CB 1.300 Z: 8 4.580 1.577 0.306 0.480 1.000 0.429 CB 0.858 8 residues pruned to eliminate duplicates Z: 12 3.791 1.485 0.297 0.262 0.909 0.273 CB 0.857 12 residues pruned to eliminate duplicates Z: 12 7.825 1.706 0.333 0.559 0.727 0.545 N 1.347 12 residues pruned to eliminate duplicates Z: 16 6.674 1.692 0.435 0.420 0.733 0.600 CB 1.051 11 residues pruned to eliminate duplicates Z: 8 8.429 1.799 0.574 0.543 1.000 0.714 CB 1.078 7 residues pruned to eliminate duplicates Z: 7 3.631 1.280 0.662 0.711 0.667 0.333 CB 0.863 Z: 16 17.544 1.831 0.852 0.741 0.867 0.600 CB 1.243 16 residues pruned to eliminate duplicates Z: 13 3.301 1.364 0.565 0.201 0.750 0.417 CB 0.849 Z: 37 23.885 1.828 0.598 0.534 0.917 0.583 CB 1.436 66 residues pruned to eliminate duplicates Z: 6 2.969 1.517 0.542 0.299 0.600 0.400 N 1.184 Z: 7 2.770 1.290 0.325 0.420 0.833 0.500 CB 0.863 Z: 23 16.358 1.842 0.596 0.500 0.818 0.591 CB 1.450 23 residues pruned to eliminate duplicates Z: 9 4.449 1.599 0.345 0.307 0.875 0.500 CB 1.036 9 residues pruned to eliminate duplicates Z: 7 3.223 1.502 0.383 0.311 0.667 0.500 CB 1.171 Z: 10 3.127 1.636 0.256 0.338 0.667 0.222 CB 0.908 10 residues pruned to eliminate duplicates Z: 16 9.351 1.690 0.475 0.411 0.867 0.400 CB 1.226 16 residues pruned to eliminate duplicates Z: 11 13.313 1.750 0.720 0.882 0.800 0.500 CB 1.265 10 residues pruned to eliminate duplicates Z: 7 3.456 1.337 0.747 0.360 0.667 0.500 N 1.054 Z: 17 26.367 1.750 1.024 0.923 1.000 0.688 CB 1.307 17 residues pruned to eliminate duplicates Z: 11 5.761 1.765 0.427 0.245 0.800 0.600 CB 1.214 11 residues pruned to eliminate duplicates Z: 7 12.914 1.911 0.721 0.587 1.000 0.667 CA 1.475 7 residues pruned to eliminate duplicates Z: 7 8.860 1.642 1.039 0.843 1.000 0.667 CB 0.805 6 residues pruned to eliminate duplicates Z: 20 15.065 1.818 0.479 0.716 0.947 0.632 CB 1.116 20 residues pruned to eliminate duplicates Z: 8 5.793 1.895 0.037 0.453 1.000 0.571 CB 1.170 Z: 7 11.026 1.565 1.330 0.808 0.833 0.500 CB 1.133 7 residues pruned to eliminate duplicates Z: 7 6.718 1.388 0.861 0.623 1.000 0.500 CB 0.946 Z: 7 5.003 1.493 0.567 0.756 0.833 0.500 CB 0.835 Z: 19 15.706 1.879 0.445 0.716 0.889 0.611 CA 1.262 19 residues pruned to eliminate duplicates Z: 11 7.062 1.542 0.437 0.875 1.000 0.700 CB 0.733 11 residues pruned to eliminate duplicates Z: 16 20.910 1.998 0.673 0.837 0.867 0.533 CA 1.395 16 residues pruned to eliminate duplicates Z: 18 7.030 1.740 0.486 0.355 0.706 0.529 CB 1.093 18 residues pruned to eliminate duplicates Z: 17 23.334 1.835 0.976 0.871 0.812 0.562 N 1.444 17 residues pruned to eliminate duplicates Z: 29 17.687 1.909 0.426 0.498 0.893 0.607 CB 1.378 35 residues pruned to eliminate duplicates Z: 22 10.460 1.885 0.440 0.241 0.905 0.619 CB 1.254 22 residues pruned to eliminate duplicates Z: 31 21.425 1.920 0.523 0.592 0.900 0.633 CB 1.361 31 residues pruned to eliminate duplicates Z: 7 2.168 1.320 0.124 0.247 0.833 0.500 CB 0.959 Z: 13 4.395 1.563 0.397 0.234 0.667 0.500 CB 1.187 13 residues pruned to eliminate duplicates Z: 6 4.106 1.342 0.604 0.521 0.800 0.600 CB 1.044 Z: 9 6.037 1.458 0.997 0.352 0.750 0.500 CB 1.148 Z: 9 3.946 1.777 0.538 0.171 0.750 0.625 CB 1.016 9 residues pruned to eliminate duplicates Z: 6 2.696 1.384 0.107 0.710 0.600 0.200 CB 1.084 Z: 9 3.939 1.465 0.470 0.371 0.750 0.500 N 0.989 4 residues pruned to eliminate duplicates Z: 8 9.938 1.657 0.779 0.791 1.000 0.857 CB 0.986 Z: 14 7.990 1.451 0.740 0.371 0.923 0.462 CB 1.092 Z: 7 4.210 1.579 0.198 0.886 1.000 0.833 CB 0.655 Z: 6 2.664 1.309 0.359 0.392 0.800 0.600 CB 0.938 Z: 8 10.223 1.795 0.627 0.881 1.000 0.857 CB 0.958 8 residues pruned to eliminate duplicates Z: 10 6.429 1.668 0.152 0.581 1.000 0.667 N 1.032 3 residues pruned to eliminate duplicates Z: 11 7.328 1.590 0.283 0.835 1.000 0.900 CB 0.851 11 residues pruned to eliminate duplicates Z: 19 7.026 1.625 0.289 0.284 0.889 0.667 CB 1.134 10 residues pruned to eliminate duplicates Z: 6 6.942 1.713 0.728 0.864 0.800 0.600 CA 0.961 6 residues pruned to eliminate duplicates Z: 43 17.340 1.717 0.646 0.389 0.833 0.500 CB 1.278 40 residues pruned to eliminate duplicates Z: 23 24.090 1.908 0.649 0.685 0.955 0.727 CB 1.443 23 residues pruned to eliminate duplicates Z: 15 25.291 2.056 0.787 0.874 1.000 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 10 9.553 1.739 0.038 0.874 1.000 1.000 CB 1.285 10 residues pruned to eliminate duplicates Z: 11 3.009 1.578 0.355 0.326 0.700 0.400 CB 0.769 11 residues pruned to eliminate duplicates Z: 6 8.685 1.729 0.579 0.873 1.000 1.000 CB 1.036 6 residues pruned to eliminate duplicates Z: 8 3.118 1.384 0.307 0.371 0.714 0.429 CB 1.047 8 residues pruned to eliminate duplicates Z: 23 17.284 1.830 0.549 0.740 0.909 0.636 CB 1.153 23 residues pruned to eliminate duplicates Z: 7 8.073 1.697 0.501 0.739 1.000 1.000 CA 1.044 7 residues pruned to eliminate duplicates Z: 6 2.785 1.603 -0.020 0.783 0.800 0.400 CB 0.772 Z: 11 13.286 1.871 0.480 0.873 1.000 0.700 CB 1.104 11 residues pruned to eliminate duplicates Z: 13 6.316 1.566 0.233 0.545 0.833 0.417 CB 1.085 13 residues pruned to eliminate duplicates Z: 8 3.829 1.559 0.094 0.365 0.857 0.429 CB 1.144 Z: 8 7.967 1.542 0.860 0.896 0.857 0.714 CA 0.877 8 residues pruned to eliminate duplicates Z: 7 5.015 1.527 0.767 0.660 0.833 0.833 CB 0.785 7 residues pruned to eliminate duplicates Z: 12 6.039 1.583 0.074 0.545 0.909 0.455 CB 1.127 Z: 12 3.373 1.478 0.354 0.329 0.545 0.182 CB 1.124 Z: 8 15.096 1.882 0.791 0.828 0.857 0.714 CB 1.486 8 residues pruned to eliminate duplicates Z: 10 5.537 1.649 0.084 0.846 0.889 0.778 CB 0.864 10 residues pruned to eliminate duplicates Z: 11 14.039 1.718 0.600 0.921 1.000 0.900 CB 1.137 11 residues pruned to eliminate duplicates Z: 6 4.738 1.638 0.322 0.644 0.800 0.800 CB 1.069 Z: 7 3.649 1.623 0.331 0.366 0.833 0.333 CB 0.956 7 residues pruned to eliminate duplicates Z: 6 3.412 1.720 -0.144 0.588 0.800 0.200 CB 1.191 Z: 21 15.857 1.876 0.581 0.542 0.950 0.700 CB 1.208 21 residues pruned to eliminate duplicates Z: 6 4.460 1.595 0.441 0.562 0.800 0.600 CB 1.021 6 residues pruned to eliminate duplicates Z: 16 25.208 1.818 0.945 0.890 0.933 0.933 CA 1.419 16 residues pruned to eliminate duplicates Z: 11 12.299 1.751 0.646 0.856 0.900 0.600 CB 1.106 11 residues pruned to eliminate duplicates Z: 6 2.892 1.498 0.610 0.863 1.000 1.000 CB 0.393 6 residues pruned to eliminate duplicates Z: 18 15.275 1.743 0.641 0.638 0.882 0.588 CA 1.290 18 residues pruned to eliminate duplicates Z: 12 5.957 1.620 0.246 0.785 0.818 0.727 CB 0.847 12 residues pruned to eliminate duplicates Z: 13 19.430 1.869 0.436 0.919 1.000 1.000 CB 1.473 13 residues pruned to eliminate duplicates Z: 7 4.016 1.857 -0.076 0.635 0.833 0.500 CB 1.011 Z: 6 2.744 1.346 0.638 0.621 1.000 0.600 CB 0.497 Z: 15 7.023 1.678 0.387 0.362 0.857 0.571 CB 1.091 15 residues pruned to eliminate duplicates Z: 6 3.335 1.461 0.399 0.667 0.800 0.800 CB 0.781 6 residues pruned to eliminate duplicates Z: 7 6.402 1.860 0.652 0.265 0.833 0.500 CB 1.335 7 residues pruned to eliminate duplicates Z: 32 28.743 1.976 0.865 0.617 0.935 0.677 CB 1.340 32 residues pruned to eliminate duplicates Z: 11 13.635 1.758 0.353 0.912 1.000 0.900 CB 1.283 12 residues pruned to eliminate duplicates Z: 10 5.604 1.703 0.232 0.505 0.778 0.556 N 1.139 8 residues pruned to eliminate duplicates Z: 9 2.680 1.361 0.358 0.316 0.750 0.500 CB 0.838 Z: 15 15.286 1.755 0.544 0.534 1.000 0.500 CB 1.458 15 residues pruned to eliminate duplicates Z: 13 18.089 2.028 0.456 0.888 0.917 0.917 CB 1.389 13 residues pruned to eliminate duplicates Z: 7 6.068 1.699 0.065 0.818 1.000 0.833 CB 1.039 7 residues pruned to eliminate duplicates Z: 7 6.607 1.498 0.275 0.843 0.833 0.833 O 1.263 7 residues pruned to eliminate duplicates 8 1.575 1.297 0.263 0.071 0.714 0.429 CB 0.890 ? Z: 20 14.299 1.898 0.187 0.763 0.947 0.737 CA 1.217 20 residues pruned to eliminate duplicates Z: 8 11.799 1.748 0.949 0.829 1.000 0.857 CB 0.985 8 residues pruned to eliminate duplicates Z: 11 6.283 1.603 0.561 0.525 0.800 0.700 CB 0.968 11 residues pruned to eliminate duplicates Z: 7 2.088 1.371 0.167 0.335 0.667 0.500 N 0.957 Z: 9 4.258 1.524 0.221 0.377 0.875 0.250 CB 1.054 8 residues pruned to eliminate duplicates Z: 6 7.024 1.635 0.877 0.832 1.000 0.600 CB 0.768 6 residues pruned to eliminate duplicates Z: 11 10.996 1.519 0.638 0.763 1.000 0.300 CB 1.107 11 residues pruned to eliminate duplicates Z: 28 15.895 1.672 0.495 0.542 0.926 0.704 CB 1.269 28 residues pruned to eliminate duplicates Z: 7 8.090 1.753 0.259 0.536 1.000 0.333 N 1.445 7 residues pruned to eliminate duplicates Z: 12 5.957 1.676 0.482 0.333 0.818 0.636 CB 1.061 10 residues pruned to eliminate duplicates Z: 13 9.125 1.697 0.433 0.429 1.000 0.750 CA 1.166 13 residues pruned to eliminate duplicates Z: 8 2.806 1.392 0.555 0.400 0.714 0.286 CB 0.762 Z: 33 15.974 1.794 0.471 0.459 0.844 0.625 CB 1.322 33 residues pruned to eliminate duplicates Z: 10 3.012 1.352 0.273 0.302 0.889 0.333 CB 0.818 Z: 11 11.060 1.699 0.762 0.605 0.900 0.900 CB 1.175 11 residues pruned to eliminate duplicates Z: 9 13.640 1.861 0.748 0.678 1.000 0.875 CB 1.258 8 residues pruned to eliminate duplicates Z: 18 11.380 1.836 0.575 0.276 0.882 0.529 CB 1.395 18 residues pruned to eliminate duplicates Z: 6 6.395 1.608 0.506 0.667 1.000 0.600 CA 1.012 6 residues pruned to eliminate duplicates Z: 14 12.077 1.809 0.429 0.715 0.846 0.538 CA 1.260 14 residues pruned to eliminate duplicates Z: 7 7.235 1.646 0.348 0.781 0.833 0.667 CA 1.246 7 residues pruned to eliminate duplicates Z: 32 15.794 1.780 0.329 0.481 0.935 0.613 CB 1.308 32 residues pruned to eliminate duplicates Z: 10 11.075 1.720 0.303 0.870 1.000 0.778 CB 1.202 10 residues pruned to eliminate duplicates Z: 13 6.165 1.591 0.180 0.913 1.000 0.917 CB 0.671 13 residues pruned to eliminate duplicates Z: 6 3.076 1.370 0.215 0.397 1.000 0.400 CB 0.921 Z: 14 6.375 1.717 0.230 0.433 0.692 0.462 CB 1.296 14 residues pruned to eliminate duplicates Z: 10 6.522 1.542 0.314 0.775 1.000 0.444 CB 0.842 10 residues pruned to eliminate duplicates Z: 6 5.448 1.298 0.581 0.689 1.000 0.800 O 0.999 6 residues pruned to eliminate duplicates Z: 27 18.326 1.808 0.439 0.658 0.962 0.731 CB 1.241 27 residues pruned to eliminate duplicates Z: 8 2.070 1.350 0.590 0.221 0.571 0.429 N 0.886 6 0.785 1.066 0.119 0.498 0.800 0.600 CB 0.369 ? Z: 15 14.496 1.834 0.439 0.690 0.929 0.643 CB 1.328 15 residues pruned to eliminate duplicates Z: 11 10.616 1.748 0.080 0.860 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 50 21.877 1.794 0.515 0.495 0.918 0.592 CB 1.258 50 residues pruned to eliminate duplicates Z: 6 2.754 1.164 0.461 0.348 1.000 0.400 CB 0.854 6 residues pruned to eliminate duplicates Z: 6 6.352 1.637 0.443 0.814 1.000 0.800 CA 0.915 6 residues pruned to eliminate duplicates Z: 6 4.559 1.544 0.256 0.593 1.000 0.800 CB 0.963 Z: 6 2.334 1.430 0.061 0.441 0.800 0.600 N 0.914 Z: 20 16.104 1.824 0.443 0.592 0.895 0.632 CB 1.437 25 residues pruned to eliminate duplicates 7 1.072 1.183 0.437 0.150 0.667 0.167 O 0.594 ? Using tripeptides from previous cycle as seeds Z: 15 7.986 1.935 0.356 0.370 0.857 0.643 CB 1.090 15 residues pruned to eliminate duplicates Z: 17 7.013 1.877 0.478 0.234 0.812 0.562 CB 1.061 17 residues pruned to eliminate duplicates Z: 29 17.466 1.981 0.487 0.508 0.929 0.643 CB 1.197 29 residues pruned to eliminate duplicates Z: 15 6.147 1.896 0.607 0.210 0.857 0.429 CB 0.886 15 residues pruned to eliminate duplicates Z: 6 6.823 1.719 0.705 0.316 1.000 0.200 CB 1.276 6 residues pruned to eliminate duplicates Z: 15 7.381 1.940 0.534 0.346 0.786 0.429 CB 0.997 15 residues pruned to eliminate duplicates Z: 14 7.946 1.997 0.724 0.351 0.769 0.538 CB 0.978 14 residues pruned to eliminate duplicates Z: 28 18.725 2.012 0.538 0.576 0.852 0.741 CB 1.270 28 residues pruned to eliminate duplicates Z: 30 14.627 1.847 0.575 0.473 0.897 0.552 CB 1.071 30 residues pruned to eliminate duplicates Z: 14 7.392 1.981 0.643 0.309 0.769 0.462 CB 1.012 14 residues pruned to eliminate duplicates Z: 13 5.852 1.968 0.429 0.283 1.000 0.583 CB 0.767 13 residues pruned to eliminate duplicates Z: 30 20.538 1.998 0.577 0.523 0.931 0.552 CB 1.271 30 residues pruned to eliminate duplicates Z: 36 20.967 1.967 0.655 0.525 0.914 0.657 CB 1.162 36 residues pruned to eliminate duplicates Z: 21 23.276 2.027 0.617 0.681 0.950 0.700 CB 1.416 21 residues pruned to eliminate duplicates Z: 21 21.758 2.031 0.562 0.696 0.950 0.750 CB 1.350 21 residues pruned to eliminate duplicates Z: 20 21.180 1.998 0.733 0.664 0.842 0.684 CA 1.431 20 residues pruned to eliminate duplicates Z: 18 23.077 1.982 0.623 0.735 0.941 0.765 CA 1.497 18 residues pruned to eliminate duplicates Z: 18 29.982 2.025 0.936 0.751 0.941 0.588 CB 1.576 18 residues pruned to eliminate duplicates Z: 21 27.957 2.030 0.777 0.761 1.000 0.700 CB 1.374 21 residues pruned to eliminate duplicates Z: 28 19.514 2.021 0.632 0.496 0.889 0.704 CB 1.287 28 residues pruned to eliminate duplicates Z: 30 24.834 2.014 0.769 0.597 0.931 0.690 CB 1.267 30 residues pruned to eliminate duplicates Z: 19 22.844 2.007 0.690 0.732 0.889 0.722 CA 1.450 19 residues pruned to eliminate duplicates Z: 21 27.128 2.009 0.839 0.701 0.950 0.750 CB 1.439 21 residues pruned to eliminate duplicates Z: 28 24.059 2.023 0.696 0.615 0.963 0.593 CB 1.257 28 residues pruned to eliminate duplicates Z: 30 23.649 1.980 0.813 0.561 0.931 0.586 CB 1.239 30 residues pruned to eliminate duplicates Z: 29 24.338 2.008 0.861 0.591 0.929 0.714 CB 1.215 29 residues pruned to eliminate duplicates Z: 10 9.635 1.754 0.662 0.587 0.778 0.667 CB 1.303 7 residues pruned to eliminate duplicates Z: 6 3.331 1.557 0.152 0.477 1.000 0.800 CB 0.850 6 residues pruned to eliminate duplicates Z: 8 11.144 1.845 0.496 0.738 1.000 0.857 CB 1.233 8 residues pruned to eliminate duplicates Z: 16 8.494 1.648 0.539 0.443 0.800 0.600 CB 1.146 19 residues pruned to eliminate duplicates Z: 6 2.166 1.597 0.003 0.320 0.600 0.400 CA 1.229 6 residues pruned to eliminate duplicates Z: 10 11.187 1.884 0.147 0.584 1.000 0.667 CA 1.592 10 residues pruned to eliminate duplicates Z: 7 4.282 1.656 0.621 0.333 0.667 0.500 O 1.171 4 residues pruned to eliminate duplicates Z: 6 4.342 1.781 0.589 0.535 0.800 0.200 CA 0.828 6 residues pruned to eliminate duplicates Z: 14 10.706 1.807 0.797 0.481 0.846 0.462 CA 1.101 14 residues pruned to eliminate duplicates Z: 8 5.024 1.474 0.873 0.375 0.714 0.571 CA 1.101 Z: 19 20.591 1.905 0.530 0.811 1.000 0.833 CB 1.271 27 residues pruned to eliminate duplicates Z: 23 19.667 1.880 0.477 0.729 1.000 0.773 CB 1.229 23 residues pruned to eliminate duplicates Z: 19 19.636 1.935 0.488 0.788 0.944 0.722 CA 1.322 19 residues pruned to eliminate duplicates Z: 34 22.861 1.870 0.547 0.652 0.970 0.667 CA 1.232 34 residues pruned to eliminate duplicates Z: 27 18.697 1.838 0.463 0.666 0.962 0.654 CA 1.217 27 residues pruned to eliminate duplicates Z: 22 21.127 1.902 0.703 0.704 0.905 0.667 CB 1.307 22 residues pruned to eliminate duplicates Z: 27 18.144 1.882 0.649 0.683 0.808 0.538 CB 1.200 27 residues pruned to eliminate duplicates Z: 16 21.620 1.968 0.664 0.850 0.933 0.733 CA 1.353 16 residues pruned to eliminate duplicates Z: 17 24.054 1.948 0.800 0.816 0.938 0.688 CA 1.390 17 residues pruned to eliminate duplicates Z: 19 25.460 1.905 0.873 0.780 0.944 0.611 CB 1.391 19 residues pruned to eliminate duplicates Z: 22 23.809 1.919 0.748 0.741 0.952 0.571 CB 1.310 22 residues pruned to eliminate duplicates Z: 19 25.898 1.894 0.882 0.788 0.944 0.556 CB 1.408 19 residues pruned to eliminate duplicates Z: 18 29.923 1.965 0.986 0.774 1.000 0.706 CA 1.459 18 residues pruned to eliminate duplicates Z: 18 27.492 1.930 0.916 0.781 1.000 0.471 CB 1.408 18 residues pruned to eliminate duplicates Z: 26 19.275 1.855 0.630 0.667 0.880 0.520 CB 1.241 26 residues pruned to eliminate duplicates Z: 23 26.263 1.900 0.945 0.779 0.955 0.773 CA 1.241 23 residues pruned to eliminate duplicates Z: 9 8.495 1.648 0.755 0.658 0.875 0.625 CB 1.025 9 residues pruned to eliminate duplicates Z: 9 9.455 1.717 0.545 0.723 1.000 0.500 CB 1.030 9 residues pruned to eliminate duplicates Z: 12 14.656 1.615 0.693 0.896 1.000 0.909 CB 1.158 12 residues pruned to eliminate duplicates Z: 9 8.635 1.628 0.793 0.667 0.875 0.750 CB 1.024 9 residues pruned to eliminate duplicates Z: 10 11.272 1.756 0.335 0.903 1.000 0.889 CB 1.143 10 residues pruned to eliminate duplicates Z: 13 11.051 1.707 0.520 0.740 1.000 0.833 CB 0.991 13 residues pruned to eliminate duplicates Z: 12 10.150 1.731 0.555 0.820 0.909 0.727 CB 0.948 12 residues pruned to eliminate duplicates Z: 18 10.942 1.734 0.495 0.619 0.882 0.647 CB 1.036 18 residues pruned to eliminate duplicates Z: 10 10.693 1.776 0.389 0.878 1.000 0.889 CB 1.048 10 residues pruned to eliminate duplicates Z: 8 6.080 1.579 0.425 0.503 0.857 0.571 CA 1.188 8 residues pruned to eliminate duplicates Z: 8 5.816 1.417 0.454 0.506 1.000 0.857 CA 1.061 5 residues pruned to eliminate duplicates Z: 6 2.977 1.311 1.088 0.276 1.000 0.600 CB 0.627 Z: 6 2.253 1.294 0.423 0.348 0.800 0.600 N 0.806 Z: 10 9.108 1.809 0.376 0.856 1.000 0.889 CB 0.899 9 residues pruned to eliminate duplicates Z: 9 8.479 1.801 0.369 0.871 1.000 0.750 CB 0.887 9 residues pruned to eliminate duplicates Z: 8 7.376 1.786 0.233 0.835 1.000 0.714 CB 0.948 8 residues pruned to eliminate duplicates Z: 17 10.396 1.720 0.272 0.524 0.938 0.500 CB 1.238 17 residues pruned to eliminate duplicates Z: 13 11.191 1.808 0.309 0.641 1.000 0.500 CB 1.197 13 residues pruned to eliminate duplicates Z: 17 8.951 1.725 0.359 0.500 0.812 0.562 CB 1.176 17 residues pruned to eliminate duplicates Z: 13 9.660 1.761 0.240 0.628 1.000 0.583 CB 1.133 13 residues pruned to eliminate duplicates Z: 15 10.401 1.784 0.248 0.641 1.000 0.643 CB 1.094 15 residues pruned to eliminate duplicates Z: 18 10.183 1.707 0.324 0.560 0.941 0.529 CB 1.096 18 residues pruned to eliminate duplicates Z: 13 10.338 1.811 0.363 0.607 0.917 0.667 CB 1.192 13 residues pruned to eliminate duplicates Z: 14 9.542 1.775 0.323 0.575 0.923 0.769 CB 1.136 14 residues pruned to eliminate duplicates Z: 16 9.457 1.711 0.339 0.492 0.867 0.533 CB 1.239 16 residues pruned to eliminate duplicates Z: 18 9.337 1.687 0.266 0.522 0.882 0.647 CB 1.177 18 residues pruned to eliminate duplicates Z: 12 10.055 1.795 0.359 0.512 1.000 0.545 CB 1.228 12 residues pruned to eliminate duplicates Z: 19 10.324 1.741 0.235 0.526 0.944 0.444 CB 1.168 19 residues pruned to eliminate duplicates Z: 19 9.563 1.724 0.260 0.532 0.889 0.500 CB 1.131 19 residues pruned to eliminate duplicates Z: 10 2.655 1.490 0.038 0.190 0.778 0.333 CB 1.067 10 residues pruned to eliminate duplicates Z: 17 8.958 1.755 0.234 0.448 0.875 0.500 CB 1.247 17 residues pruned to eliminate duplicates Z: 8 9.064 1.761 0.421 0.772 0.857 0.571 CB 1.255 8 residues pruned to eliminate duplicates Z: 9 9.330 1.718 0.154 0.810 1.000 0.750 CB 1.270 9 residues pruned to eliminate duplicates Z: 11 8.159 1.555 0.471 0.632 0.900 0.600 CB 1.107 11 residues pruned to eliminate duplicates Z: 8 11.026 1.708 0.444 0.775 1.000 0.714 CB 1.325 8 residues pruned to eliminate duplicates Z: 8 9.051 1.704 0.432 0.755 0.857 0.571 CA 1.303 8 residues pruned to eliminate duplicates Z: 11 14.772 1.870 0.487 0.853 1.000 0.900 CA 1.242 12 residues pruned to eliminate duplicates Z: 10 13.985 1.887 0.420 0.847 1.000 0.778 CA 1.292 10 residues pruned to eliminate duplicates Z: 12 18.355 1.813 0.665 0.843 1.000 0.818 CA 1.365 12 residues pruned to eliminate duplicates Z: 12 11.678 1.728 0.653 0.817 0.818 0.545 CA 1.144 12 residues pruned to eliminate duplicates Z: 16 10.088 1.654 0.464 0.625 0.867 0.467 CB 1.102 16 residues pruned to eliminate duplicates Z: 12 16.616 1.816 0.716 0.782 1.000 0.636 CB 1.254 12 residues pruned to eliminate duplicates Z: 13 14.120 1.753 0.646 0.692 0.917 0.583 CA 1.293 13 residues pruned to eliminate duplicates Z: 13 13.993 1.771 0.719 0.678 0.917 0.417 CB 1.229 13 residues pruned to eliminate duplicates Z: 12 14.010 1.800 0.539 0.767 1.000 0.818 CB 1.203 12 residues pruned to eliminate duplicates Z: 14 12.879 1.671 0.819 0.732 0.923 0.615 CB 1.034 14 residues pruned to eliminate duplicates Z: 7 9.763 1.855 0.862 0.401 1.000 0.833 CB 1.280 9 residues pruned to eliminate duplicates Z: 8 11.203 1.829 1.004 0.574 1.000 0.571 CB 1.076 8 residues pruned to eliminate duplicates Z: 12 15.065 2.048 0.711 0.703 0.909 0.455 CB 1.185 12 residues pruned to eliminate duplicates Z: 22 13.664 1.947 0.528 0.510 0.762 0.476 CB 1.302 22 residues pruned to eliminate duplicates Z: 22 17.011 1.901 0.809 0.505 0.905 0.429 CB 1.187 22 residues pruned to eliminate duplicates Z: 27 16.877 1.896 0.713 0.518 0.885 0.462 CB 1.132 29 residues pruned to eliminate duplicates Z: 13 18.685 1.901 0.721 0.804 0.917 0.417 CB 1.380 13 residues pruned to eliminate duplicates Z: 49 28.331 1.967 0.697 0.486 0.896 0.521 CB 1.387 49 residues pruned to eliminate duplicates Z: 18 17.181 2.051 0.775 0.559 0.882 0.471 CB 1.225 18 residues pruned to eliminate duplicates Z: 19 19.778 2.026 0.863 0.563 0.889 0.500 CB 1.307 19 residues pruned to eliminate duplicates Z: 20 18.965 2.014 0.870 0.539 0.947 0.526 CB 1.174 20 residues pruned to eliminate duplicates Z: 23 13.493 1.926 0.742 0.440 0.818 0.455 CB 1.114 23 residues pruned to eliminate duplicates Z: 19 16.914 2.055 0.819 0.497 0.889 0.611 CB 1.204 19 residues pruned to eliminate duplicates Z: 22 20.089 1.956 0.726 0.496 0.905 0.524 CA 1.442 22 residues pruned to eliminate duplicates Z: 21 21.102 1.996 0.972 0.514 0.900 0.750 CB 1.314 21 residues pruned to eliminate duplicates Z: 15 31.329 2.038 0.691 0.895 1.000 0.929 CA 1.742 15 residues pruned to eliminate duplicates Z: 15 27.227 2.062 0.410 0.938 1.000 0.929 CA 1.740 15 residues pruned to eliminate duplicates Z: 22 22.318 1.885 0.521 0.820 0.905 0.857 CB 1.422 22 residues pruned to eliminate duplicates Z: 18 25.466 1.974 0.526 0.823 0.941 0.765 CB 1.646 18 residues pruned to eliminate duplicates Z: 18 24.450 1.941 0.648 0.711 0.941 0.824 CB 1.626 15 residues pruned to eliminate duplicates Z: 16 29.800 1.995 0.717 0.941 1.000 1.000 CA 1.559 19 residues pruned to eliminate duplicates Z: 15 32.702 2.053 0.678 0.942 1.000 0.929 CA 1.760 15 residues pruned to eliminate duplicates Z: 20 21.746 1.895 0.576 0.749 0.947 0.737 CB 1.411 20 residues pruned to eliminate duplicates Z: 23 28.663 1.890 0.702 0.746 0.909 0.636 CB 1.678 23 residues pruned to eliminate duplicates Z: 19 24.577 1.965 0.614 0.738 0.944 0.833 CA 1.562 19 residues pruned to eliminate duplicates Z: 19 23.047 1.940 0.736 0.626 0.889 0.778 CA 1.610 19 residues pruned to eliminate duplicates Z: 16 31.796 2.023 0.621 0.942 1.000 1.000 CA 1.736 16 residues pruned to eliminate duplicates Z: 19 27.802 1.958 0.617 0.832 0.944 0.833 CB 1.645 19 residues pruned to eliminate duplicates Z: 16 31.647 1.954 0.860 0.946 1.000 0.667 CA 1.555 16 residues pruned to eliminate duplicates Z: 20 24.262 1.905 0.587 0.816 0.895 0.789 CB 1.564 16 residues pruned to eliminate duplicates Z: 7 9.854 1.714 0.479 0.819 1.000 0.667 CA 1.203 8 residues pruned to eliminate duplicates Z: 7 8.925 1.727 0.297 0.820 1.000 0.833 CA 1.233 7 residues pruned to eliminate duplicates Z: 17 6.966 1.567 0.446 0.468 0.812 0.562 CB 0.976 17 residues pruned to eliminate duplicates Z: 8 6.880 1.588 0.390 0.829 0.857 0.857 CB 1.034 8 residues pruned to eliminate duplicates Z: 6 5.417 1.732 0.765 0.569 0.800 0.400 CA 0.926 6 residues pruned to eliminate duplicates Z: 6 2.122 1.557 0.513 0.471 0.600 0.200 CA 0.692 6 residues pruned to eliminate duplicates Z: 7 5.658 1.605 0.524 0.446 1.000 0.667 CA 0.998 6 residues pruned to eliminate duplicates Z: 7 5.856 1.552 0.784 0.530 1.000 0.500 CA 0.838 7 residues pruned to eliminate duplicates Z: 10 7.190 1.502 0.588 0.621 1.000 0.667 CB 0.897 10 residues pruned to eliminate duplicates Z: 9 5.637 1.592 0.448 0.282 0.875 0.500 CB 1.264 9 residues pruned to eliminate duplicates Z: 13 7.524 1.625 0.458 0.315 0.917 0.333 CB 1.228 13 residues pruned to eliminate duplicates Z: 10 9.411 1.681 0.621 0.463 0.889 0.333 CB 1.345 10 residues pruned to eliminate duplicates Z: 7 8.970 1.552 0.492 0.733 1.000 1.000 CA 1.282 8 residues pruned to eliminate duplicates Z: 9 6.608 1.580 0.394 0.540 1.000 0.875 CB 1.020 7 residues pruned to eliminate duplicates Z: 10 10.619 1.681 0.558 0.737 1.000 0.667 CB 1.092 10 residues pruned to eliminate duplicates Z: 24 13.940 1.781 0.443 0.424 0.957 0.652 CB 1.280 24 residues pruned to eliminate duplicates Z: 9 11.801 1.611 0.676 0.854 1.000 0.625 CB 1.142 9 residues pruned to eliminate duplicates Z: 25 14.195 1.763 0.489 0.428 0.958 0.542 CB 1.241 25 residues pruned to eliminate duplicates Z: 26 14.805 1.775 0.525 0.453 0.920 0.680 CB 1.247 25 residues pruned to eliminate duplicates Z: 10 8.993 1.541 0.452 0.819 1.000 0.778 CB 1.016 10 residues pruned to eliminate duplicates Z: 32 11.011 1.741 0.287 0.355 0.903 0.581 CB 1.143 33 residues pruned to eliminate duplicates Z: 10 10.092 1.447 0.715 0.823 1.000 0.556 CB 1.024 10 residues pruned to eliminate duplicates Z: 21 11.387 1.759 0.413 0.452 0.850 0.650 CB 1.266 21 residues pruned to eliminate duplicates Z: 23 11.744 1.795 0.439 0.428 0.864 0.591 CB 1.208 23 residues pruned to eliminate duplicates Z: 24 17.462 1.833 0.557 0.509 0.957 0.652 CB 1.322 25 residues pruned to eliminate duplicates Z: 6 5.136 1.442 0.661 0.429 1.000 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 25 15.249 1.787 0.525 0.452 0.958 0.583 CB 1.251 25 residues pruned to eliminate duplicates Z: 15 9.663 1.766 0.537 0.336 1.000 0.643 CB 1.138 15 residues pruned to eliminate duplicates Z: 7 5.979 1.540 0.524 0.385 1.000 0.333 CB 1.176 Z: 6 4.952 1.326 0.735 0.605 0.800 0.600 CA 1.089 6 residues pruned to eliminate duplicates Z: 42 15.682 1.673 0.463 0.426 0.902 0.463 CB 1.198 49 residues pruned to eliminate duplicates Z: 8 7.637 1.905 0.232 0.464 0.857 0.571 CB 1.488 Z: 7 5.957 1.530 0.583 0.472 1.000 0.500 CB 1.033 7 residues pruned to eliminate duplicates Z: 13 16.800 1.879 0.556 0.563 1.000 0.833 CA 1.560 13 residues pruned to eliminate duplicates Z: 13 16.060 1.872 0.588 0.553 1.000 0.917 CA 1.481 13 residues pruned to eliminate duplicates Z: 48 24.082 1.862 0.679 0.417 0.894 0.468 CB 1.370 51 residues pruned to eliminate duplicates Z: 7 5.626 1.276 0.752 0.566 1.000 0.667 N 0.964 7 residues pruned to eliminate duplicates Z: 31 14.352 1.777 0.460 0.432 0.833 0.500 CB 1.301 39 residues pruned to eliminate duplicates Z: 33 19.293 1.855 0.578 0.500 0.844 0.562 CB 1.381 33 residues pruned to eliminate duplicates Z: 52 19.220 1.786 0.411 0.475 0.824 0.647 CB 1.330 52 residues pruned to eliminate duplicates Z: 18 13.794 1.799 0.683 0.392 0.882 0.471 CA 1.404 18 residues pruned to eliminate duplicates Z: 15 6.587 1.765 0.287 0.301 0.786 0.429 CA 1.230 15 residues pruned to eliminate duplicates Z: 25 17.130 1.850 0.653 0.456 0.917 0.625 CB 1.306 25 residues pruned to eliminate duplicates Z: 46 21.084 1.794 0.583 0.451 0.911 0.556 CB 1.277 46 residues pruned to eliminate duplicates Z: 28 18.043 1.825 0.560 0.500 0.926 0.704 CB 1.317 28 residues pruned to eliminate duplicates Z: 91 30.516 1.818 0.583 0.492 0.867 0.567 CB 1.300 101 residues pruned to eliminate duplicates Z: 17 15.606 1.760 0.596 0.845 0.875 0.875 CA 1.181 17 residues pruned to eliminate duplicates Z: 44 20.944 1.795 0.517 0.555 0.930 0.605 CB 1.195 44 residues pruned to eliminate duplicates Z: 54 31.931 1.864 0.802 0.524 0.906 0.528 CB 1.408 54 residues pruned to eliminate duplicates Z: 15 18.618 1.917 0.679 0.840 0.929 0.857 CA 1.242 15 residues pruned to eliminate duplicates Z: 42 24.530 1.758 0.711 0.535 0.951 0.561 CB 1.294 42 residues pruned to eliminate duplicates Z: 25 16.385 1.815 0.574 0.602 0.875 0.750 CB 1.214 25 residues pruned to eliminate duplicates Z: 16 23.257 1.939 0.756 0.867 0.933 0.867 CB 1.383 16 residues pruned to eliminate duplicates Z: 16 26.957 1.905 0.928 0.934 1.000 0.667 CB 1.322 16 residues pruned to eliminate duplicates Z: 18 22.640 1.878 0.987 0.820 0.882 0.765 CB 1.263 18 residues pruned to eliminate duplicates Z: 23 20.406 1.848 0.794 0.667 0.818 0.545 CB 1.374 23 residues pruned to eliminate duplicates Z: 22 20.679 1.859 0.708 0.727 0.857 0.667 CB 1.351 22 residues pruned to eliminate duplicates Z: 34 22.322 1.825 0.650 0.667 0.939 0.667 CB 1.178 34 residues pruned to eliminate duplicates Z: 21 22.597 1.858 0.884 0.756 0.900 0.650 CB 1.277 21 residues pruned to eliminate duplicates Z: 19 24.403 1.871 1.071 0.779 0.944 0.611 CB 1.229 19 residues pruned to eliminate duplicates Z: 31 25.074 1.839 0.794 0.711 0.967 0.733 CB 1.186 31 residues pruned to eliminate duplicates Z: 30 22.353 1.712 0.833 0.630 0.931 0.724 CB 1.257 30 residues pruned to eliminate duplicates Z: 68 24.885 1.800 0.708 0.516 0.851 0.597 CB 1.145 75 residues pruned to eliminate duplicates Z: 8 5.019 1.523 0.504 0.705 1.000 0.714 CB 0.688 Z: 7 5.406 1.614 0.719 0.891 1.000 0.833 CB 0.572 7 residues pruned to eliminate duplicates Z: 18 9.045 1.630 0.477 0.569 0.941 0.706 CB 0.906 17 residues pruned to eliminate duplicates Z: 8 7.025 1.640 0.824 0.841 1.000 0.571 CB 0.662 10 residues pruned to eliminate duplicates Z: 7 8.347 1.680 0.443 0.861 1.000 0.833 CA 1.033 7 residues pruned to eliminate duplicates Z: 21 21.842 1.891 0.590 0.688 0.950 0.650 CB 1.439 21 residues pruned to eliminate duplicates Z: 23 20.865 1.888 0.748 0.581 0.909 0.545 CB 1.371 23 residues pruned to eliminate duplicates Z: 29 19.314 1.760 0.749 0.504 0.964 0.571 CB 1.224 29 residues pruned to eliminate duplicates Z: 22 20.699 1.805 0.930 0.734 0.857 0.619 CB 1.227 22 residues pruned to eliminate duplicates Z: 46 35.068 1.866 0.866 0.620 0.933 0.578 CB 1.436 61 residues pruned to eliminate duplicates Z: 15 15.155 1.861 0.737 0.781 0.857 0.643 CB 1.141 15 residues pruned to eliminate duplicates Z: 20 22.870 1.912 0.791 0.657 1.000 0.579 CA 1.324 20 residues pruned to eliminate duplicates Z: 25 18.820 1.810 0.679 0.655 0.917 0.583 CA 1.194 25 residues pruned to eliminate duplicates Z: 23 24.118 1.889 0.771 0.630 0.955 0.682 CB 1.424 23 residues pruned to eliminate duplicates Z: 22 22.295 1.877 0.754 0.637 0.952 0.714 CB 1.365 22 residues pruned to eliminate duplicates Z: 9 11.419 1.796 0.474 0.754 1.000 0.750 CB 1.216 9 residues pruned to eliminate duplicates Z: 19 17.790 1.892 0.472 0.554 0.944 0.611 CA 1.513 19 residues pruned to eliminate duplicates Z: 47 28.813 1.860 0.703 0.555 0.891 0.609 CB 1.427 47 residues pruned to eliminate duplicates Z: 22 16.610 1.842 0.472 0.500 0.905 0.619 CB 1.478 22 residues pruned to eliminate duplicates Z: 22 21.701 1.898 0.545 0.688 0.952 0.762 CA 1.428 22 residues pruned to eliminate duplicates Z: 26 16.193 1.719 0.449 0.491 1.000 0.560 CB 1.311 26 residues pruned to eliminate duplicates Z: 21 16.960 1.834 0.380 0.594 0.950 0.700 CA 1.441 21 residues pruned to eliminate duplicates Z: 25 17.638 1.796 0.565 0.609 0.833 0.667 CB 1.387 25 residues pruned to eliminate duplicates Z: 28 17.193 1.754 0.463 0.535 0.889 0.519 CA 1.402 28 residues pruned to eliminate duplicates Z: 44 16.429 1.770 0.298 0.458 0.907 0.581 CB 1.255 44 residues pruned to eliminate duplicates Z: 28 14.197 1.743 0.307 0.500 0.926 0.704 CA 1.295 28 residues pruned to eliminate duplicates Z: 9 3.165 1.540 0.378 0.435 0.625 0.500 CB 0.902 9 residues pruned to eliminate duplicates Z: 51 21.678 1.767 0.481 0.456 0.940 0.640 CA 1.304 51 residues pruned to eliminate duplicates Z: 37 20.115 1.797 0.617 0.541 0.917 0.639 CB 1.209 39 residues pruned to eliminate duplicates 6 1.804 1.344 0.620 0.393 0.800 0.600 CA 0.519 ? Z: 6 3.085 1.358 0.519 0.358 1.000 0.600 CA 0.779 6 residues pruned to eliminate duplicates Z: 49 24.678 1.799 0.614 0.538 0.938 0.646 CB 1.260 49 residues pruned to eliminate duplicates Z: 23 11.196 1.824 0.450 0.344 0.864 0.409 CB 1.239 23 residues pruned to eliminate duplicates Z: 12 12.329 1.803 0.444 0.676 1.000 0.455 CA 1.214 12 residues pruned to eliminate duplicates Z: 12 13.036 1.788 0.465 0.758 0.909 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 14 10.500 1.731 0.572 0.662 0.846 0.615 CB 1.088 14 residues pruned to eliminate duplicates Z: 12 13.276 1.801 0.585 0.736 0.909 0.545 CA 1.248 12 residues pruned to eliminate duplicates Z: 12 11.552 1.781 0.511 0.722 0.818 0.455 CB 1.294 12 residues pruned to eliminate duplicates Z: 40 21.850 1.785 0.705 0.589 0.846 0.410 CB 1.248 43 residues pruned to eliminate duplicates Z: 10 17.871 1.863 0.691 0.910 1.000 0.667 CA 1.341 10 residues pruned to eliminate duplicates Z: 13 15.614 1.659 0.797 0.855 1.000 0.667 CB 1.115 13 residues pruned to eliminate duplicates Z: 9 9.463 1.808 0.626 0.475 1.000 0.750 CA 1.168 9 residues pruned to eliminate duplicates Z: 8 10.779 1.897 0.616 0.563 0.857 0.857 CB 1.459 8 residues pruned to eliminate duplicates Z: 10 8.997 1.755 0.543 0.574 0.889 0.889 CB 1.161 10 residues pruned to eliminate duplicates Z: 10 10.746 1.755 0.361 0.837 1.000 0.889 CB 1.122 10 residues pruned to eliminate duplicates Z: 12 11.081 1.743 0.686 0.684 0.909 0.818 CB 1.056 12 residues pruned to eliminate duplicates Z: 12 9.747 1.734 0.460 0.756 1.000 0.727 CB 0.924 12 residues pruned to eliminate duplicates Z: 9 9.549 1.716 0.605 0.850 0.875 0.750 CB 1.038 9 residues pruned to eliminate duplicates Z: 11 10.164 1.761 0.365 0.718 1.000 0.800 CB 1.098 11 residues pruned to eliminate duplicates Z: 12 10.145 1.713 0.671 0.652 0.909 0.545 CB 1.021 12 residues pruned to eliminate duplicates Z: 11 9.980 1.734 0.600 0.794 1.000 0.700 CB 0.879 11 residues pruned to eliminate duplicates Z: 8 4.796 1.682 0.205 0.544 0.714 0.571 CB 1.199 8 residues pruned to eliminate duplicates Z: 12 8.367 1.709 0.375 0.645 0.818 0.364 CB 1.146 12 residues pruned to eliminate duplicates Z: 8 4.358 1.577 0.138 0.542 0.714 0.429 CB 1.233 8 residues pruned to eliminate duplicates Z: 8 2.943 1.505 0.063 0.385 0.857 0.857 CB 0.917 6 residues pruned to eliminate duplicates Z: 6 2.899 1.137 0.667 0.414 0.800 0.200 O 0.936 6 residues pruned to eliminate duplicates Z: 7 2.947 1.631 0.241 0.282 1.000 0.667 CB 0.761 7 residues pruned to eliminate duplicates Z: 6 2.085 1.686 0.298 0.336 0.600 0.200 CB 0.850 6 residues pruned to eliminate duplicates Z: 16 5.011 1.686 0.497 0.260 0.667 0.333 CB 1.011 16 residues pruned to eliminate duplicates Z: 18 7.017 1.569 0.620 0.205 0.824 0.412 CB 1.152 17 residues pruned to eliminate duplicates Z: 15 11.674 1.655 0.245 0.701 0.929 0.857 CA 1.358 15 residues pruned to eliminate duplicates Z: 12 14.248 1.789 0.369 0.777 1.000 0.818 CA 1.374 12 residues pruned to eliminate duplicates Z: 19 13.341 1.754 0.491 0.570 0.833 0.556 N 1.349 18 residues pruned to eliminate duplicates Z: 14 17.919 1.760 0.472 0.903 1.000 0.846 CB 1.368 15 residues pruned to eliminate duplicates Z: 14 16.677 1.724 0.667 0.875 1.000 0.846 CB 1.170 14 residues pruned to eliminate duplicates Z: 13 16.861 1.845 0.521 0.792 0.917 0.750 CB 1.464 13 residues pruned to eliminate duplicates Z: 12 20.283 1.866 0.662 0.881 0.909 0.818 CB 1.571 13 residues pruned to eliminate duplicates Z: 14 17.536 1.761 0.445 0.885 1.000 0.923 CA 1.381 14 residues pruned to eliminate duplicates Z: 12 18.531 1.887 0.557 0.882 0.909 0.909 N 1.514 12 residues pruned to eliminate duplicates Z: 14 21.113 1.779 0.616 0.921 1.000 0.769 CA 1.434 14 residues pruned to eliminate duplicates Z: 44 17.042 1.794 0.494 0.454 0.791 0.419 CB 1.286 79 residues pruned to eliminate duplicates Z: 15 15.709 1.887 0.564 0.774 0.857 0.429 CB 1.303 Z: 15 19.187 1.854 0.528 0.815 1.000 0.643 CB 1.376 15 residues pruned to eliminate duplicates Z: 10 4.064 1.402 0.432 0.485 0.778 0.444 N 0.881 10 residues pruned to eliminate duplicates Z: 34 23.040 1.952 0.368 0.620 0.939 0.667 CB 1.427 34 residues pruned to eliminate duplicates Z: 49 27.654 1.941 0.472 0.619 0.875 0.625 CB 1.427 41 residues pruned to eliminate duplicates Z: 10 9.028 1.545 0.773 0.640 0.889 0.333 CA 1.083 10 residues pruned to eliminate duplicates Z: 24 24.175 1.980 0.625 0.614 0.913 0.696 CA 1.540 24 residues pruned to eliminate duplicates Z: 30 26.822 1.996 0.595 0.669 0.931 0.793 CA 1.437 30 residues pruned to eliminate duplicates Z: 23 27.270 2.013 0.608 0.732 0.955 0.727 CA 1.528 23 residues pruned to eliminate duplicates Z: 22 22.933 2.065 0.488 0.714 0.905 0.714 CA 1.483 22 residues pruned to eliminate duplicates Z: 21 20.874 2.042 0.249 0.667 1.000 0.700 CA 1.569 21 residues pruned to eliminate duplicates Z: 33 22.947 1.948 0.497 0.580 0.969 0.688 CB 1.329 33 residues pruned to eliminate duplicates Z: 20 23.477 2.101 0.459 0.692 1.000 0.737 CA 1.474 20 residues pruned to eliminate duplicates Z: 30 23.890 2.012 0.369 0.655 0.966 0.759 CA 1.443 30 residues pruned to eliminate duplicates Z: 24 22.411 2.016 0.418 0.658 0.957 0.739 CA 1.477 24 residues pruned to eliminate duplicates Z: 21 22.370 2.062 0.466 0.736 0.900 0.850 CA 1.487 21 residues pruned to eliminate duplicates Z: 40 26.509 1.895 0.666 0.556 0.949 0.641 CB 1.343 40 residues pruned to eliminate duplicates Z: 31 28.150 2.004 0.571 0.630 0.967 0.733 CA 1.494 31 residues pruned to eliminate duplicates Z: 32 28.183 1.962 0.644 0.627 0.968 0.742 CB 1.438 32 residues pruned to eliminate duplicates Z: 30 28.077 2.021 0.516 0.679 1.000 0.759 CB 1.443 30 residues pruned to eliminate duplicates Z: 20 29.183 2.146 0.565 0.777 1.000 0.947 CA 1.561 20 residues pruned to eliminate duplicates Z: 20 30.511 2.146 0.642 0.763 1.000 0.842 CA 1.573 20 residues pruned to eliminate duplicates Z: 20 29.217 2.121 0.809 0.758 0.895 0.579 CB 1.551 20 residues pruned to eliminate duplicates Z: 22 30.314 2.062 0.786 0.724 1.000 0.810 CA 1.467 22 residues pruned to eliminate duplicates Z: 31 27.414 2.039 0.564 0.646 0.967 0.667 CA 1.417 31 residues pruned to eliminate duplicates Z: 38 23.717 1.900 0.574 0.562 0.946 0.649 CB 1.298 38 residues pruned to eliminate duplicates Z: 26 12.187 1.733 0.454 0.492 0.880 0.680 CB 1.108 26 residues pruned to eliminate duplicates Z: 30 25.408 2.003 0.681 0.637 0.966 0.655 CB 1.277 30 residues pruned to eliminate duplicates Z: 56 27.186 1.893 0.588 0.584 0.909 0.655 CB 1.237 56 residues pruned to eliminate duplicates Z: 36 23.760 1.911 0.655 0.567 0.943 0.629 CB 1.262 36 residues pruned to eliminate duplicates Z: 35 25.568 1.920 0.624 0.605 0.941 0.647 CB 1.351 35 residues pruned to eliminate duplicates Z: 37 21.687 1.856 0.548 0.560 0.944 0.778 CA 1.257 37 residues pruned to eliminate duplicates Z: 31 19.413 1.916 0.673 0.554 0.900 0.633 CB 1.165 31 residues pruned to eliminate duplicates Z: 31 24.924 1.972 0.526 0.695 0.967 0.767 CB 1.308 31 residues pruned to eliminate duplicates Z: 14 6.082 1.571 0.311 0.595 0.846 0.538 CB 0.884 21 residues pruned to eliminate duplicates Z: 11 7.890 1.588 0.249 0.842 1.000 1.000 CB 0.938 11 residues pruned to eliminate duplicates Z: 15 6.851 1.614 0.197 0.507 0.929 0.500 CB 1.014 15 residues pruned to eliminate duplicates Z: 12 7.823 1.593 0.175 0.688 1.000 0.818 CB 1.061 12 residues pruned to eliminate duplicates Z: 10 6.091 1.581 0.468 0.687 1.000 0.778 CB 0.737 10 residues pruned to eliminate duplicates Z: 11 2.924 1.468 0.304 0.306 0.800 0.500 CB 0.749 11 residues pruned to eliminate duplicates Z: 7 2.876 1.498 0.437 0.431 0.667 0.667 CB 0.879 7 residues pruned to eliminate duplicates Z: 11 9.008 1.533 0.375 0.801 0.900 0.900 CB 1.153 11 residues pruned to eliminate duplicates Z: 8 4.106 1.345 0.449 0.753 0.857 0.714 CB 0.742 8 residues pruned to eliminate duplicates Z: 8 2.375 1.502 -0.090 0.186 0.857 0.143 CB 1.117 Z: 7 2.896 1.247 0.187 0.480 0.833 0.500 C 0.978 7 residues pruned to eliminate duplicates Z: 7 3.784 1.534 0.223 0.626 1.000 0.667 CB 0.731 4 residues pruned to eliminate duplicates Z: 11 12.573 1.703 0.350 0.871 1.000 0.900 CB 1.261 10 residues pruned to eliminate duplicates Z: 10 15.085 1.751 0.621 0.900 1.000 0.889 CB 1.265 11 residues pruned to eliminate duplicates Z: 10 12.013 1.741 0.438 0.873 1.000 1.000 CB 1.165 10 residues pruned to eliminate duplicates Z: 18 10.844 1.704 0.262 0.620 0.824 0.647 CB 1.326 18 residues pruned to eliminate duplicates Z: 11 13.614 1.712 0.428 0.868 1.000 0.600 CB 1.287 11 residues pruned to eliminate duplicates Z: 17 11.318 1.710 0.372 0.630 0.938 0.688 CB 1.139 17 residues pruned to eliminate duplicates Z: 7 4.120 1.551 0.524 0.359 0.667 0.500 CB 1.242 7 residues pruned to eliminate duplicates Z: 21 8.023 1.501 0.355 0.369 0.900 0.500 CB 1.128 17 residues pruned to eliminate duplicates Z: 11 17.300 1.765 0.813 0.866 1.000 0.700 CB 1.251 11 residues pruned to eliminate duplicates Z: 17 11.068 1.695 0.598 0.618 0.875 0.688 CB 1.044 17 residues pruned to eliminate duplicates Z: 20 14.270 1.650 0.707 0.751 0.895 0.684 CB 1.039 21 residues pruned to eliminate duplicates Z: 8 13.760 1.874 0.493 0.856 1.000 0.857 CB 1.371 8 residues pruned to eliminate duplicates Z: 10 8.427 1.715 0.221 0.743 1.000 0.778 CB 1.079 10 residues pruned to eliminate duplicates Z: 10 10.652 1.732 0.686 0.648 0.889 0.667 CB 1.191 10 residues pruned to eliminate duplicates Z: 18 11.094 1.737 0.595 0.476 0.941 0.588 CB 1.057 27 residues pruned to eliminate duplicates Z: 10 12.424 1.766 0.504 0.705 1.000 0.778 CB 1.294 Z: 10 13.303 1.608 0.668 0.876 0.889 0.889 CA 1.352 10 residues pruned to eliminate duplicates Z: 9 12.899 1.742 0.461 0.841 1.000 0.750 CB 1.337 10 residues pruned to eliminate duplicates Z: 8 8.013 1.772 0.333 0.803 1.000 0.714 CB 0.984 8 residues pruned to eliminate duplicates Z: 13 7.289 1.577 0.240 0.729 0.917 0.667 CB 0.955 14 residues pruned to eliminate duplicates Z: 12 7.293 1.619 0.111 0.860 1.000 0.818 CB 0.899 12 residues pruned to eliminate duplicates Z: 10 8.355 1.663 0.521 0.807 0.889 0.667 CB 0.948 10 residues pruned to eliminate duplicates Z: 10 7.621 1.641 0.245 0.885 1.000 0.889 CB 0.898 10 residues pruned to eliminate duplicates Z: 9 5.871 1.519 0.273 0.766 1.000 0.625 CB 0.848 9 residues pruned to eliminate duplicates Z: 11 9.474 1.656 0.387 0.883 1.000 0.900 CB 0.943 11 residues pruned to eliminate duplicates Z: 12 7.340 1.615 0.182 0.881 1.000 1.000 CB 0.839 12 residues pruned to eliminate duplicates Z: 9 7.403 1.701 0.192 0.756 1.000 0.750 CB 1.028 9 residues pruned to eliminate duplicates Z: 13 8.182 1.566 0.327 0.871 1.000 0.833 CB 0.829 13 residues pruned to eliminate duplicates Z: 32 19.943 1.811 0.543 0.591 0.839 0.516 CB 1.401 32 residues pruned to eliminate duplicates Z: 13 7.377 1.825 0.615 0.331 0.667 0.250 CB 1.303 13 residues pruned to eliminate duplicates Z: 14 6.471 1.699 0.777 0.287 0.692 0.538 CB 1.092 14 residues pruned to eliminate duplicates Z: 13 12.324 1.889 0.889 0.412 0.833 0.333 CA 1.311 13 residues pruned to eliminate duplicates Z: 15 11.512 1.890 0.929 0.312 0.857 0.429 CB 1.213 15 residues pruned to eliminate duplicates Z: 15 12.217 1.804 0.902 0.375 0.786 0.357 CA 1.384 15 residues pruned to eliminate duplicates Z: 16 12.000 1.790 0.706 0.384 0.867 0.267 CB 1.325 16 residues pruned to eliminate duplicates Z: 10 8.260 1.922 0.580 0.341 0.778 0.333 CB 1.386 10 residues pruned to eliminate duplicates Z: 28 18.785 1.914 0.612 0.545 0.815 0.556 CA 1.376 28 residues pruned to eliminate duplicates Z: 32 16.546 1.822 0.483 0.473 0.871 0.581 CB 1.297 32 residues pruned to eliminate duplicates Z: 30 19.769 1.921 0.509 0.520 0.897 0.586 CA 1.385 30 residues pruned to eliminate duplicates Z: 43 20.499 1.806 0.516 0.542 0.929 0.571 CB 1.194 43 residues pruned to eliminate duplicates Z: 35 16.823 1.893 0.316 0.547 0.882 0.676 CB 1.253 35 residues pruned to eliminate duplicates Z: 27 22.334 1.861 0.631 0.622 0.962 0.692 CB 1.338 27 residues pruned to eliminate duplicates Z: 32 18.222 1.819 0.567 0.559 0.968 0.516 CA 1.120 32 residues pruned to eliminate duplicates Z: 21 18.146 1.959 0.745 0.681 0.900 0.650 CA 1.117 21 residues pruned to eliminate duplicates Z: 19 18.113 1.933 0.539 0.691 1.000 0.556 CA 1.204 19 residues pruned to eliminate duplicates Z: 29 21.726 1.926 0.667 0.541 0.929 0.464 CA 1.323 29 residues pruned to eliminate duplicates Z: 26 18.970 1.910 0.498 0.567 0.920 0.520 CA 1.351 26 residues pruned to eliminate duplicates Z: 38 21.911 1.811 0.573 0.587 0.946 0.649 CB 1.230 38 residues pruned to eliminate duplicates Z: 36 24.243 1.952 0.507 0.588 0.971 0.514 CB 1.318 36 residues pruned to eliminate duplicates Z: 28 15.218 1.856 0.518 0.485 0.889 0.630 CA 1.187 28 residues pruned to eliminate duplicates Z: 29 21.689 1.925 0.667 0.524 0.929 0.607 CA 1.343 38 residues pruned to eliminate duplicates Z: 22 21.333 1.863 0.710 0.727 0.952 0.667 CA 1.250 22 residues pruned to eliminate duplicates Z: 35 26.435 1.949 0.629 0.593 1.000 0.647 CA 1.306 35 residues pruned to eliminate duplicates Z: 56 27.311 1.928 0.540 0.576 0.927 0.600 CB 1.243 56 residues pruned to eliminate duplicates Z: 33 18.719 1.926 0.553 0.514 0.938 0.625 CB 1.164 20 residues pruned to eliminate duplicates Z: 24 13.129 1.665 0.377 0.664 0.913 0.652 CA 1.124 24 residues pruned to eliminate duplicates Z: 31 20.792 1.969 0.635 0.514 0.900 0.633 CB 1.291 30 residues pruned to eliminate duplicates Z: 6 3.738 1.892 0.593 0.413 0.800 0.600 CB 0.760 6 residues pruned to eliminate duplicates Z: 33 18.861 1.909 0.514 0.494 0.938 0.500 CB 1.238 33 residues pruned to eliminate duplicates Z: 11 5.896 1.910 0.326 0.211 0.900 0.600 CB 1.151 11 residues pruned to eliminate duplicates Z: 32 17.808 1.903 0.561 0.478 0.903 0.581 CB 1.218 40 residues pruned to eliminate duplicates Z: 11 6.816 1.811 0.648 0.229 0.900 0.400 CB 1.100 11 residues pruned to eliminate duplicates Z: 31 13.188 1.822 0.477 0.376 0.867 0.367 CB 1.178 31 residues pruned to eliminate duplicates Z: 8 3.970 1.651 0.443 0.261 0.714 0.429 CB 1.159 8 residues pruned to eliminate duplicates Z: 25 13.381 1.833 0.798 0.400 0.792 0.625 CB 1.164 25 residues pruned to eliminate duplicates Z: 35 18.397 1.888 0.689 0.460 0.912 0.529 CB 1.130 32 residues pruned to eliminate duplicates Z: 13 17.660 1.836 0.630 0.783 1.000 0.583 CA 1.328 16 residues pruned to eliminate duplicates Z: 11 18.017 1.956 0.536 0.823 1.000 0.700 CA 1.434 11 residues pruned to eliminate duplicates Z: 30 18.909 1.981 0.613 0.457 0.897 0.448 CB 1.281 30 residues pruned to eliminate duplicates Z: 39 14.764 1.722 0.634 0.405 0.789 0.500 CB 1.192 28 residues pruned to eliminate duplicates Z: 11 21.270 2.030 0.771 0.848 1.000 0.700 CA 1.388 11 residues pruned to eliminate duplicates Z: 19 16.657 1.920 0.651 0.520 0.889 0.667 CB 1.366 19 residues pruned to eliminate duplicates Z: 56 28.050 1.919 0.638 0.561 0.855 0.618 CB 1.327 56 residues pruned to eliminate duplicates Z: 19 18.156 1.993 0.567 0.557 0.944 0.556 CB 1.372 31 residues pruned to eliminate duplicates Z: 13 19.596 1.981 0.583 0.792 1.000 0.917 CA 1.396 13 residues pruned to eliminate duplicates Z: 19 18.252 1.979 0.424 0.606 0.944 0.722 CA 1.462 17 residues pruned to eliminate duplicates Z: 6 4.352 1.506 0.379 0.476 1.000 0.800 CB 0.960 6 residues pruned to eliminate duplicates Z: 14 5.974 1.678 0.231 0.246 0.846 0.615 CB 1.270 14 residues pruned to eliminate duplicates Z: 47 16.859 1.883 0.278 0.355 0.891 0.522 CB 1.355 55 residues pruned to eliminate duplicates Z: 6 6.888 1.463 0.774 0.688 1.000 0.400 CA 0.999 6 residues pruned to eliminate duplicates Z: 15 11.826 1.970 0.233 0.494 0.929 0.500 CB 1.411 15 residues pruned to eliminate duplicates Z: 33 18.486 1.848 0.563 0.491 0.875 0.531 CB 1.305 33 residues pruned to eliminate duplicates Z: 12 9.017 1.795 0.216 0.546 0.909 0.727 CB 1.310 12 residues pruned to eliminate duplicates Z: 30 16.582 1.813 0.430 0.489 0.897 0.586 CA 1.339 30 residues pruned to eliminate duplicates Z: 15 11.524 1.930 0.177 0.544 0.929 0.571 CB 1.399 15 residues pruned to eliminate duplicates Z: 34 17.430 1.780 0.325 0.510 1.000 0.697 CB 1.274 34 residues pruned to eliminate duplicates Z: 31 17.309 1.866 0.422 0.500 0.867 0.500 CB 1.374 31 residues pruned to eliminate duplicates Z: 30 20.779 1.939 0.389 0.545 1.000 0.586 CB 1.371 30 residues pruned to eliminate duplicates Z: 21 16.919 1.869 0.475 0.556 1.000 0.650 CB 1.300 21 residues pruned to eliminate duplicates Z: 24 18.473 1.820 0.665 0.483 0.913 0.565 CB 1.416 24 residues pruned to eliminate duplicates Z: 20 15.216 1.862 0.454 0.555 0.895 0.684 CA 1.366 20 residues pruned to eliminate duplicates Z: 33 16.400 1.796 0.409 0.485 0.875 0.594 CB 1.330 33 residues pruned to eliminate duplicates Z: 21 15.396 1.734 0.565 0.491 0.950 0.700 CB 1.347 21 residues pruned to eliminate duplicates Z: 31 19.274 1.877 0.516 0.493 0.900 0.600 CB 1.384 31 residues pruned to eliminate duplicates Z: 31 16.620 1.855 0.373 0.516 0.867 0.700 CB 1.353 31 residues pruned to eliminate duplicates Z: 30 20.927 1.916 0.495 0.523 0.966 0.586 CB 1.374 30 residues pruned to eliminate duplicates Z: 43 15.361 1.865 0.478 0.355 0.762 0.548 CB 1.319 43 residues pruned to eliminate duplicates Z: 27 19.551 1.834 0.615 0.443 1.000 0.577 CB 1.373 27 residues pruned to eliminate duplicates Z: 39 17.341 1.914 0.454 0.394 0.842 0.553 CB 1.342 39 residues pruned to eliminate duplicates Z: 11 6.878 1.712 0.421 0.343 0.900 0.500 CA 1.178 11 residues pruned to eliminate duplicates Z: 30 16.841 1.818 0.531 0.397 0.897 0.517 CB 1.398 30 residues pruned to eliminate duplicates Z: 20 10.665 1.794 0.558 0.289 0.842 0.474 CA 1.318 20 residues pruned to eliminate duplicates Z: 20 14.023 1.836 0.523 0.390 0.895 0.526 CA 1.446 20 residues pruned to eliminate duplicates Z: 7 5.732 1.803 0.321 0.423 0.833 0.500 CA 1.278 Z: 18 29.426 1.938 0.924 0.856 0.941 0.824 CB 1.501 18 residues pruned to eliminate duplicates Z: 58 30.725 1.927 0.560 0.547 0.912 0.737 CB 1.417 58 residues pruned to eliminate duplicates Z: 28 29.547 1.976 0.823 0.676 0.889 0.741 CB 1.510 28 residues pruned to eliminate duplicates Z: 34 25.712 1.928 0.632 0.594 0.879 0.697 CB 1.480 34 residues pruned to eliminate duplicates Z: 27 27.480 1.908 0.809 0.663 0.885 0.808 CA 1.517 27 residues pruned to eliminate duplicates Z: 82 30.253 1.894 0.545 0.502 0.852 0.617 CB 1.346 82 residues pruned to eliminate duplicates Z: 28 27.259 1.909 0.694 0.737 0.889 0.704 CA 1.476 28 residues pruned to eliminate duplicates Z: 44 26.021 1.943 0.592 0.561 0.884 0.674 CB 1.368 44 residues pruned to eliminate duplicates Z: 36 28.187 1.847 0.849 0.659 0.886 0.771 CB 1.360 36 residues pruned to eliminate duplicates Z: 42 30.599 1.953 0.727 0.573 0.927 0.634 CB 1.424 42 residues pruned to eliminate duplicates Z: 21 26.983 2.038 0.769 0.673 0.900 0.600 CB 1.584 21 residues pruned to eliminate duplicates Z: 31 25.345 1.932 0.722 0.612 0.900 0.533 CB 1.389 31 residues pruned to eliminate duplicates Z: 52 29.213 1.947 0.567 0.540 0.902 0.569 CB 1.429 52 residues pruned to eliminate duplicates Z: 20 23.839 1.927 0.990 0.708 0.842 0.474 CB 1.402 20 residues pruned to eliminate duplicates Z: 29 18.213 1.794 0.714 0.528 0.821 0.357 CB 1.325 29 residues pruned to eliminate duplicates Z: 32 24.442 1.897 0.763 0.600 0.871 0.645 CB 1.371 32 residues pruned to eliminate duplicates Z: 57 28.445 1.892 0.644 0.597 0.875 0.589 CB 1.273 57 residues pruned to eliminate duplicates Z: 17 11.078 1.702 0.775 0.562 0.688 0.438 CB 1.255 17 residues pruned to eliminate duplicates Z: 37 23.354 1.819 0.671 0.589 0.889 0.667 CB 1.323 37 residues pruned to eliminate duplicates Z: 14 11.269 1.722 0.466 0.452 1.000 0.692 CB 1.302 14 residues pruned to eliminate duplicates Z: 31 23.334 1.952 0.478 0.633 0.933 0.667 CB 1.397 31 residues pruned to eliminate duplicates Z: 61 29.653 1.899 0.613 0.550 0.883 0.700 CB 1.347 61 residues pruned to eliminate duplicates Z: 42 25.909 1.903 0.614 0.550 0.927 0.659 CB 1.354 42 residues pruned to eliminate duplicates Z: 17 16.467 1.942 0.724 0.569 0.875 0.750 CA 1.314 25 residues pruned to eliminate duplicates Z: 23 11.204 1.668 0.617 0.393 0.864 0.455 CB 1.147 23 residues pruned to eliminate duplicates Z: 30 26.088 1.898 0.787 0.620 0.862 0.517 CB 1.480 30 residues pruned to eliminate duplicates Z: 19 14.084 1.803 0.835 0.396 0.833 0.556 CB 1.343 19 residues pruned to eliminate duplicates Z: 10 7.709 1.780 0.552 0.476 0.889 0.556 CA 1.072 10 residues pruned to eliminate duplicates Z: 41 22.038 1.832 0.604 0.514 0.875 0.650 CB 1.336 41 residues pruned to eliminate duplicates Z: 28 18.232 1.892 0.383 0.567 1.000 0.667 CB 1.257 28 residues pruned to eliminate duplicates Z: 23 22.733 1.941 0.544 0.671 0.955 0.682 CB 1.446 23 residues pruned to eliminate duplicates Z: 24 19.494 1.878 0.474 0.627 1.000 0.522 CB 1.303 24 residues pruned to eliminate duplicates Z: 51 31.214 1.982 0.560 0.590 0.900 0.600 CB 1.454 51 residues pruned to eliminate duplicates Z: 19 17.245 1.786 0.665 0.645 0.944 0.444 CB 1.264 19 residues pruned to eliminate duplicates Z: 29 18.723 1.858 0.429 0.689 0.929 0.679 CB 1.208 29 residues pruned to eliminate duplicates Z: 56 22.796 1.832 0.588 0.468 0.909 0.618 CB 1.201 56 residues pruned to eliminate duplicates Z: 22 22.138 1.931 0.478 0.742 1.000 0.762 CA 1.362 22 residues pruned to eliminate duplicates Z: 25 19.703 1.897 0.379 0.620 1.000 0.708 CA 1.373 25 residues pruned to eliminate duplicates Z: 24 21.265 1.934 0.481 0.658 0.913 0.696 CA 1.463 24 residues pruned to eliminate duplicates Z: 23 23.340 1.931 0.579 0.701 0.955 0.682 CB 1.424 23 residues pruned to eliminate duplicates Z: 25 20.267 1.881 0.475 0.650 0.958 0.792 CB 1.352 25 residues pruned to eliminate duplicates Z: 24 20.802 1.860 0.573 0.679 0.957 0.783 CA 1.315 24 residues pruned to eliminate duplicates Z: 22 25.601 1.992 0.789 0.688 0.952 0.762 CB 1.385 22 residues pruned to eliminate duplicates Z: 24 22.643 1.931 0.624 0.606 0.957 0.652 CA 1.422 24 residues pruned to eliminate duplicates Z: 28 20.732 1.847 0.542 0.594 0.963 0.630 CB 1.330 28 residues pruned to eliminate duplicates Z: 24 23.186 1.985 0.575 0.719 0.957 0.783 CB 1.326 24 residues pruned to eliminate duplicates Z: 29 14.132 1.815 0.514 0.541 0.786 0.536 CB 1.188 29 residues pruned to eliminate duplicates Z: 26 19.416 1.936 0.518 0.638 0.920 0.720 CB 1.263 26 residues pruned to eliminate duplicates Z: 43 22.576 1.911 0.686 0.500 0.905 0.595 CB 1.195 43 residues pruned to eliminate duplicates Z: 27 17.963 1.864 0.449 0.595 0.923 0.615 CB 1.291 27 residues pruned to eliminate duplicates Z: 40 24.265 1.890 0.623 0.548 0.974 0.667 CB 1.241 40 residues pruned to eliminate duplicates Z: 30 22.059 1.963 0.588 0.664 0.966 0.690 CB 1.170 30 residues pruned to eliminate duplicates Z: 20 12.182 1.888 0.537 0.345 0.895 0.579 CB 1.273 20 residues pruned to eliminate duplicates Z: 14 12.767 1.869 0.570 0.560 1.000 0.615 CB 1.138 14 residues pruned to eliminate duplicates Z: 40 21.419 1.909 0.582 0.519 0.872 0.615 CB 1.278 40 residues pruned to eliminate duplicates Z: 8 12.025 1.874 0.720 0.587 0.857 0.429 CB 1.513 8 residues pruned to eliminate duplicates Z: 17 10.916 1.901 0.499 0.382 0.938 0.562 CB 1.159 17 residues pruned to eliminate duplicates Z: 11 11.283 1.924 0.445 0.504 1.000 0.600 CB 1.279 11 residues pruned to eliminate duplicates Z: 6 6.033 2.070 0.760 0.290 0.800 0.600 CB 1.173 6 residues pruned to eliminate duplicates Z: 6 11.245 2.060 0.667 0.454 1.000 0.800 CA 1.535 6 residues pruned to eliminate duplicates Z: 21 14.006 1.871 0.843 0.400 0.900 0.700 CB 1.121 21 residues pruned to eliminate duplicates Z: 16 10.986 1.894 0.605 0.444 0.867 0.600 CA 1.140 16 residues pruned to eliminate duplicates Z: 19 11.248 1.785 0.716 0.465 0.944 0.500 CB 0.950 19 residues pruned to eliminate duplicates Z: 29 16.928 1.850 0.802 0.444 0.964 0.643 CB 1.054 36 residues pruned to eliminate duplicates Z: 16 13.342 1.788 0.473 0.687 1.000 0.467 CB 1.102 16 residues pruned to eliminate duplicates Z: 11 5.443 1.758 0.210 0.278 1.000 0.300 CB 1.041 11 residues pruned to eliminate duplicates Z: 28 6.980 1.733 0.644 0.191 0.704 0.370 CB 0.969 28 residues pruned to eliminate duplicates Z: 11 12.685 1.925 0.682 0.770 1.000 0.700 CB 0.975 11 residues pruned to eliminate duplicates Z: 19 14.259 1.899 0.727 0.537 0.889 0.444 CB 1.111 27 residues pruned to eliminate duplicates Z: 12 12.298 1.851 0.513 0.880 0.909 0.636 CB 1.056 10 residues pruned to eliminate duplicates Z: 8 10.844 1.991 0.536 0.882 0.857 0.714 CB 1.132 8 residues pruned to eliminate duplicates Z: 18 12.442 1.874 0.605 0.530 0.882 0.471 CB 1.104 21 residues pruned to eliminate duplicates Z: 10 14.902 2.025 0.610 0.877 1.000 0.889 CB 1.106 9 residues pruned to eliminate duplicates Z: 6 7.960 1.736 0.877 0.844 1.000 0.600 CB 0.813 6 residues pruned to eliminate duplicates Z: 32 15.132 1.733 0.474 0.499 0.935 0.677 CB 1.139 18 residues pruned to eliminate duplicates Z: 6 4.840 1.525 0.718 0.340 0.800 0.400 CB 1.230 6 residues pruned to eliminate duplicates Z: 22 12.186 1.759 0.565 0.434 0.857 0.333 CB 1.207 22 residues pruned to eliminate duplicates Z: 27 10.970 1.792 0.262 0.474 0.846 0.423 CB 1.155 27 residues pruned to eliminate duplicates Z: 34 22.506 1.874 0.554 0.547 0.939 0.758 CB 1.367 34 residues pruned to eliminate duplicates Z: 33 14.918 1.803 0.404 0.441 0.938 0.594 CB 1.181 33 residues pruned to eliminate duplicates Z: 14 9.018 1.717 0.364 0.591 0.846 0.846 CA 1.156 14 residues pruned to eliminate duplicates Z: 14 11.129 1.793 0.333 0.617 1.000 0.769 CA 1.157 14 residues pruned to eliminate duplicates Z: 17 7.983 1.653 0.288 0.451 0.938 0.688 CB 1.051 17 residues pruned to eliminate duplicates Z: 13 9.079 1.696 0.312 0.550 0.917 0.750 CA 1.225 13 residues pruned to eliminate duplicates Z: 15 8.647 1.674 0.490 0.362 0.929 0.643 CA 1.158 15 residues pruned to eliminate duplicates Z: 14 10.320 1.801 0.257 0.520 0.923 0.538 CA 1.343 14 residues pruned to eliminate duplicates Z: 14 8.711 1.706 0.348 0.446 0.846 0.769 CA 1.312 14 residues pruned to eliminate duplicates Z: 13 12.597 1.796 0.403 0.569 1.000 0.833 CA 1.351 13 residues pruned to eliminate duplicates Z: 19 11.773 1.760 0.304 0.536 0.889 0.667 CA 1.313 19 residues pruned to eliminate duplicates Z: 14 12.352 1.825 0.539 0.508 0.923 0.923 CA 1.311 14 residues pruned to eliminate duplicates Z: 34 9.875 1.790 0.160 0.397 0.848 0.576 CB 1.087 34 residues pruned to eliminate duplicates Z: 16 8.935 1.795 0.166 0.508 0.933 0.733 CB 1.173 16 residues pruned to eliminate duplicates Z: 19 14.101 1.890 0.399 0.559 0.889 0.667 CA 1.335 19 residues pruned to eliminate duplicates Z: 37 16.275 1.797 0.299 0.551 0.917 0.694 CA 1.206 37 residues pruned to eliminate duplicates Z: 54 22.195 1.807 0.531 0.474 0.906 0.585 CB 1.249 54 residues pruned to eliminate duplicates Z: 50 21.006 1.819 0.500 0.480 0.857 0.592 CB 1.310 50 residues pruned to eliminate duplicates Z: 35 19.029 1.862 0.409 0.538 0.912 0.706 CA 1.314 35 residues pruned to eliminate duplicates Z: 36 20.554 1.882 0.427 0.539 0.914 0.629 CB 1.362 36 residues pruned to eliminate duplicates Z: 24 12.935 1.831 0.298 0.567 0.826 0.739 CB 1.288 24 residues pruned to eliminate duplicates Z: 33 17.757 1.871 0.387 0.506 0.906 0.750 CB 1.327 33 residues pruned to eliminate duplicates Z: 34 14.410 1.829 0.312 0.483 0.879 0.606 CA 1.210 34 residues pruned to eliminate duplicates Z: 15 15.496 1.967 0.244 0.711 0.929 0.857 CA 1.505 15 residues pruned to eliminate duplicates Z: 18 18.485 2.001 0.577 0.578 0.941 0.765 CA 1.401 18 residues pruned to eliminate duplicates Z: 39 19.105 1.850 0.485 0.536 0.921 0.684 CB 1.182 39 residues pruned to eliminate duplicates Z: 33 19.661 1.879 0.481 0.491 0.906 0.656 CB 1.391 33 residues pruned to eliminate duplicates Z: 51 24.618 1.838 0.672 0.533 0.900 0.580 CB 1.218 51 residues pruned to eliminate duplicates Z: 36 19.679 1.842 0.676 0.510 0.886 0.600 CB 1.204 36 residues pruned to eliminate duplicates Z: 31 23.068 1.871 0.755 0.547 0.933 0.600 CB 1.312 31 residues pruned to eliminate duplicates Z: 46 23.792 1.860 0.594 0.468 0.933 0.600 CB 1.324 46 residues pruned to eliminate duplicates Z: 31 24.330 1.863 0.833 0.529 0.967 0.667 CB 1.308 31 residues pruned to eliminate duplicates Z: 27 24.163 1.898 0.749 0.612 0.962 0.808 CB 1.335 27 residues pruned to eliminate duplicates Z: 33 23.465 1.820 0.814 0.562 0.844 0.625 CB 1.402 33 residues pruned to eliminate duplicates Z: 59 25.656 1.843 0.610 0.515 0.879 0.569 CB 1.272 59 residues pruned to eliminate duplicates Z: 63 26.525 1.823 0.610 0.497 0.887 0.548 CB 1.298 66 residues pruned to eliminate duplicates Z: 11 8.281 1.686 0.177 0.653 0.800 0.600 CA 1.431 11 residues pruned to eliminate duplicates Z: 34 21.708 1.893 0.650 0.503 0.909 0.485 CB 1.328 34 residues pruned to eliminate duplicates Z: 44 22.433 1.816 0.709 0.530 0.907 0.605 CB 1.180 44 residues pruned to eliminate duplicates Z: 31 19.803 1.860 0.692 0.558 0.933 0.567 CB 1.163 31 residues pruned to eliminate duplicates Z: 42 21.757 1.838 0.572 0.547 0.927 0.634 CB 1.211 42 residues pruned to eliminate duplicates Z: 30 27.977 1.877 0.728 0.684 0.966 0.759 CB 1.400 30 residues pruned to eliminate duplicates Z: 21 10.860 1.727 0.430 0.352 0.950 0.550 CB 1.215 21 residues pruned to eliminate duplicates Z: 17 11.099 1.785 0.575 0.307 0.938 0.688 CB 1.304 17 residues pruned to eliminate duplicates Z: 11 7.001 1.812 0.739 0.308 0.700 0.500 CB 1.242 11 residues pruned to eliminate duplicates Z: 19 7.708 1.644 0.511 0.267 0.778 0.500 CB 1.226 19 residues pruned to eliminate duplicates Z: 18 9.576 1.725 0.561 0.284 0.882 0.647 CB 1.247 18 residues pruned to eliminate duplicates Z: 17 10.462 1.729 0.440 0.303 0.938 0.688 CA 1.395 17 residues pruned to eliminate duplicates Z: 15 10.133 1.809 0.518 0.293 0.857 0.714 CB 1.450 15 residues pruned to eliminate duplicates Z: 14 9.819 1.850 0.501 0.274 0.846 0.615 CB 1.497 14 residues pruned to eliminate duplicates Z: 17 10.147 1.809 0.502 0.318 0.875 0.625 CB 1.304 17 residues pruned to eliminate duplicates Z: 14 11.348 1.814 0.536 0.311 0.923 0.538 CA 1.510 14 residues pruned to eliminate duplicates Z: 21 14.469 1.730 0.710 0.349 0.900 0.450 CA 1.432 21 residues pruned to eliminate duplicates Z: 27 13.553 1.684 0.505 0.425 0.885 0.615 CB 1.281 27 residues pruned to eliminate duplicates Z: 17 12.579 1.751 0.571 0.382 1.000 0.812 CB 1.296 17 residues pruned to eliminate duplicates Z: 21 11.356 1.685 0.634 0.353 0.900 0.600 CB 1.202 21 residues pruned to eliminate duplicates Z: 21 10.118 1.732 0.445 0.349 0.900 0.700 CB 1.183 21 residues pruned to eliminate duplicates Z: 9 6.407 1.534 0.627 0.469 1.000 0.375 CB 0.937 9 residues pruned to eliminate duplicates Z: 14 8.042 1.639 0.702 0.346 0.923 0.462 CB 1.024 21 residues pruned to eliminate duplicates Z: 6 3.759 1.374 0.776 0.466 0.800 0.800 O 0.891 6 residues pruned to eliminate duplicates Z: 7 6.007 1.545 1.052 0.341 0.833 0.667 CB 1.104 7 residues pruned to eliminate duplicates Z: 14 7.532 1.677 0.485 0.380 0.923 0.538 CB 1.032 14 residues pruned to eliminate duplicates Z: 14 8.178 1.625 0.699 0.373 1.000 0.615 CB 0.942 14 residues pruned to eliminate duplicates Z: 6 2.931 1.633 0.251 0.385 1.000 0.600 CB 0.725 5 residues pruned to eliminate duplicates Z: 7 13.862 1.889 0.809 0.865 1.000 0.667 CB 1.214 Z: 9 17.388 1.662 1.143 0.904 1.000 0.875 CA 1.230 7 residues pruned to eliminate duplicates Z: 9 13.168 1.654 0.995 0.856 1.000 0.625 CB 1.040 9 residues pruned to eliminate duplicates Z: 58 30.840 1.907 0.598 0.564 0.912 0.614 CB 1.380 58 residues pruned to eliminate duplicates Z: 21 12.948 1.773 0.932 0.449 0.800 0.350 CB 1.114 30 residues pruned to eliminate duplicates Z: 11 11.495 1.820 0.606 0.750 0.700 0.500 CB 1.421 11 residues pruned to eliminate duplicates Z: 9 12.154 1.961 0.619 0.863 0.750 0.625 CB 1.325 9 residues pruned to eliminate duplicates Z: 18 15.404 1.803 0.650 0.558 0.941 0.647 CB 1.261 18 residues pruned to eliminate duplicates Z: 16 15.231 1.841 0.644 0.531 1.000 0.733 CB 1.260 16 residues pruned to eliminate duplicates Z: 9 17.348 1.985 0.657 0.896 1.000 0.750 CB 1.336 9 residues pruned to eliminate duplicates Z: 10 10.886 1.889 0.287 0.783 1.000 0.667 CB 1.163 10 residues pruned to eliminate duplicates Z: 21 16.941 1.832 0.746 0.514 0.900 0.600 CB 1.298 23 residues pruned to eliminate duplicates Z: 9 13.502 1.797 0.788 0.879 1.000 0.875 CA 1.077 9 residues pruned to eliminate duplicates Z: 16 9.473 1.822 0.409 0.358 0.867 0.467 CA 1.281 16 residues pruned to eliminate duplicates Z: 24 6.982 1.744 0.365 0.152 0.783 0.478 CB 1.199 24 residues pruned to eliminate duplicates Z: 12 10.056 1.781 0.483 0.463 1.000 0.727 CB 1.192 12 residues pruned to eliminate duplicates Z: 20 12.156 1.888 0.335 0.321 0.947 0.526 CB 1.423 20 residues pruned to eliminate duplicates Z: 24 10.684 1.850 0.405 0.293 0.870 0.739 CB 1.243 24 residues pruned to eliminate duplicates Z: 20 11.160 1.832 0.371 0.536 0.789 0.474 CB 1.247 20 residues pruned to eliminate duplicates Z: 14 8.102 1.871 0.449 0.399 0.846 0.615 CB 1.090 14 residues pruned to eliminate duplicates Z: 15 6.977 1.761 0.530 0.371 0.714 0.571 CB 1.112 15 residues pruned to eliminate duplicates Z: 11 11.880 1.868 0.416 0.534 1.000 0.700 CB 1.374 11 residues pruned to eliminate duplicates Z: 43 14.153 1.819 0.457 0.328 0.857 0.500 CB 1.162 43 residues pruned to eliminate duplicates Z: 20 10.989 1.874 0.560 0.315 0.842 0.579 CB 1.256 20 residues pruned to eliminate duplicates Z: 20 11.953 1.904 0.533 0.315 0.842 0.526 CB 1.368 20 residues pruned to eliminate duplicates Z: 19 11.065 1.939 0.344 0.304 0.944 0.667 CB 1.318 19 residues pruned to eliminate duplicates Z: 23 16.289 1.793 0.658 0.362 0.955 0.636 CB 1.419 23 residues pruned to eliminate duplicates Z: 31 15.146 1.832 0.464 0.483 0.833 0.633 CB 1.259 31 residues pruned to eliminate duplicates Z: 26 16.224 1.900 0.580 0.353 0.880 0.600 CB 1.440 26 residues pruned to eliminate duplicates Z: 24 10.202 1.777 0.612 0.345 0.826 0.391 CB 1.064 24 residues pruned to eliminate duplicates Z: 37 19.876 1.951 0.544 0.493 0.806 0.639 CB 1.374 37 residues pruned to eliminate duplicates Z: 28 13.132 1.951 0.397 0.322 0.815 0.593 CB 1.385 28 residues pruned to eliminate duplicates Z: 38 18.216 1.943 0.475 0.544 0.784 0.595 CB 1.277 38 residues pruned to eliminate duplicates Z: 31 18.068 1.950 0.411 0.538 0.900 0.433 CB 1.283 31 residues pruned to eliminate duplicates Z: 30 15.090 1.925 0.439 0.448 0.828 0.517 CB 1.290 30 residues pruned to eliminate duplicates Z: 34 18.022 1.897 0.563 0.400 0.879 0.606 CB 1.338 34 residues pruned to eliminate duplicates Z: 17 18.633 2.039 0.318 0.781 0.938 0.688 CB 1.444 17 residues pruned to eliminate duplicates Z: 40 22.758 1.967 0.515 0.495 0.897 0.667 CB 1.371 40 residues pruned to eliminate duplicates Z: 25 12.758 1.886 0.558 0.350 0.792 0.542 CB 1.317 25 residues pruned to eliminate duplicates Z: 21 22.938 1.920 0.545 0.748 0.950 0.650 CB 1.458 21 residues pruned to eliminate duplicates Z: 37 21.370 1.975 0.429 0.558 0.861 0.667 CB 1.385 37 residues pruned to eliminate duplicates Z: 19 17.500 1.995 0.241 0.769 0.889 0.722 CB 1.477 19 residues pruned to eliminate duplicates Z: 38 15.516 1.855 0.451 0.326 0.865 0.405 CB 1.326 38 residues pruned to eliminate duplicates Z: 29 20.994 2.014 0.486 0.601 0.929 0.714 CB 1.297 34 residues pruned to eliminate duplicates Z: 14 17.241 1.941 0.597 0.915 0.923 0.846 CB 1.182 14 residues pruned to eliminate duplicates Z: 20 25.146 1.972 0.768 0.818 1.000 0.737 CB 1.255 20 residues pruned to eliminate duplicates Z: 19 22.326 1.956 0.619 0.725 1.000 0.722 CB 1.356 19 residues pruned to eliminate duplicates Z: 36 20.136 1.939 0.532 0.553 0.914 0.600 CB 1.190 36 residues pruned to eliminate duplicates Z: 25 14.269 1.817 0.344 0.588 0.875 0.500 CB 1.253 25 residues pruned to eliminate duplicates Z: 22 20.000 1.913 0.512 0.637 0.952 0.667 CB 1.392 20 residues pruned to eliminate duplicates Z: 15 15.186 1.766 0.755 0.779 0.929 0.500 CB 1.102 15 residues pruned to eliminate duplicates Z: 36 23.021 1.968 0.641 0.559 0.857 0.600 CB 1.328 38 residues pruned to eliminate duplicates Z: 16 17.641 1.865 0.708 0.906 0.933 0.800 CB 1.089 16 residues pruned to eliminate duplicates Z: 32 20.253 1.912 0.526 0.567 0.903 0.710 CB 1.294 32 residues pruned to eliminate duplicates Z: 23 18.444 1.860 0.766 0.730 0.909 0.545 CB 1.070 23 residues pruned to eliminate duplicates Z: 13 12.017 1.657 0.570 0.787 0.917 0.750 CA 1.130 13 residues pruned to eliminate duplicates Z: 16 10.892 1.594 0.419 0.650 0.867 0.667 CA 1.247 16 residues pruned to eliminate duplicates Z: 11 7.944 1.640 0.243 0.739 1.000 0.800 CA 0.994 11 residues pruned to eliminate duplicates Z: 14 9.747 1.595 0.502 0.710 0.846 0.615 CB 1.102 14 residues pruned to eliminate duplicates Z: 13 13.668 1.666 0.558 0.812 1.000 0.583 CB 1.159 13 residues pruned to eliminate duplicates Z: 10 4.830 1.609 0.304 0.473 0.778 0.444 CA 1.013 18 residues pruned to eliminate duplicates Z: 11 8.731 1.601 0.323 0.622 0.900 0.500 N 1.290 11 residues pruned to eliminate duplicates Z: 8 12.098 1.756 0.677 0.727 1.000 0.714 CA 1.265 8 residues pruned to eliminate duplicates Z: 9 11.151 1.614 0.717 0.754 1.000 0.625 CB 1.134 9 residues pruned to eliminate duplicates Z: 9 16.326 1.783 0.682 0.863 1.000 0.625 CB 1.412 9 residues pruned to eliminate duplicates Z: 54 17.689 1.829 0.485 0.466 0.830 0.509 CB 1.115 57 residues pruned to eliminate duplicates Z: 8 4.807 1.490 0.344 0.339 1.000 0.571 N 1.082 8 residues pruned to eliminate duplicates Z: 23 8.737 1.742 0.158 0.423 0.818 0.591 CB 1.222 23 residues pruned to eliminate duplicates Z: 22 5.879 1.654 0.326 0.263 0.714 0.571 CB 1.073 22 residues pruned to eliminate duplicates Z: 12 4.530 1.609 0.193 0.310 0.818 0.636 CB 1.073 12 residues pruned to eliminate duplicates Z: 35 16.066 1.733 0.466 0.533 0.794 0.529 CB 1.322 35 residues pruned to eliminate duplicates Z: 13 5.529 1.597 0.537 0.418 0.750 0.583 CB 0.944 13 residues pruned to eliminate duplicates Z: 7 4.880 1.744 0.236 0.465 0.833 0.667 N 1.149 7 residues pruned to eliminate duplicates Z: 25 18.214 1.833 0.405 0.706 0.875 0.792 CB 1.367 25 residues pruned to eliminate duplicates Z: 16 6.675 1.724 0.199 0.446 0.867 0.400 CB 1.017 16 residues pruned to eliminate duplicates Z: 26 19.518 1.847 0.463 0.740 0.880 0.720 CA 1.324 26 residues pruned to eliminate duplicates Z: 26 21.958 1.863 0.559 0.721 0.880 0.600 CB 1.408 26 residues pruned to eliminate duplicates Z: 11 6.101 1.699 0.096 0.444 0.900 0.500 CA 1.220 11 residues pruned to eliminate duplicates Z: 9 6.275 1.712 0.043 0.514 1.000 0.625 CA 1.225 9 residues pruned to eliminate duplicates Z: 23 24.323 1.886 0.651 0.768 1.000 0.682 CA 1.314 23 residues pruned to eliminate duplicates Z: 20 17.979 1.875 0.484 0.678 0.895 0.632 CA 1.407 20 residues pruned to eliminate duplicates Z: 23 14.310 1.836 0.405 0.647 0.818 0.545 CB 1.261 23 residues pruned to eliminate duplicates Z: 19 18.040 1.883 0.623 0.711 0.833 0.556 CA 1.378 19 residues pruned to eliminate duplicates Z: 33 21.992 1.827 0.547 0.632 0.875 0.469 CB 1.389 33 residues pruned to eliminate duplicates Z: 27 21.143 1.865 0.450 0.684 0.923 0.538 CA 1.403 27 residues pruned to eliminate duplicates Z: 29 19.354 1.823 0.501 0.623 0.857 0.643 CA 1.389 29 residues pruned to eliminate duplicates Z: 29 17.276 1.829 0.430 0.621 0.821 0.643 CA 1.356 29 residues pruned to eliminate duplicates Z: 40 20.352 1.758 0.559 0.552 0.821 0.590 CA 1.377 40 residues pruned to eliminate duplicates Z: 32 19.110 1.863 0.419 0.579 0.903 0.613 CA 1.333 32 residues pruned to eliminate duplicates Z: 27 16.474 1.822 0.423 0.651 0.846 0.577 CA 1.280 27 residues pruned to eliminate duplicates Z: 34 23.100 1.853 0.649 0.585 0.879 0.576 CB 1.381 34 residues pruned to eliminate duplicates Z: 24 22.313 1.861 0.526 0.748 0.957 0.783 CA 1.373 24 residues pruned to eliminate duplicates Z: 37 24.953 1.871 0.553 0.597 0.944 0.611 CB 1.381 37 residues pruned to eliminate duplicates Z: 32 25.989 1.872 0.646 0.637 0.935 0.484 CB 1.424 32 residues pruned to eliminate duplicates Z: 40 24.567 1.851 0.560 0.615 0.897 0.641 CB 1.362 40 residues pruned to eliminate duplicates Z: 22 12.627 1.794 0.609 0.518 0.905 0.571 CB 1.037 22 residues pruned to eliminate duplicates Z: 9 6.452 1.745 0.615 0.217 0.875 0.250 CB 1.290 9 residues pruned to eliminate duplicates Z: 8 5.267 1.881 0.426 0.159 1.000 0.429 CB 1.125 8 residues pruned to eliminate duplicates Z: 10 5.919 1.777 0.536 0.209 0.889 0.222 CB 1.147 10 residues pruned to eliminate duplicates Z: 8 4.785 1.875 0.173 0.184 0.857 0.429 CB 1.403 8 residues pruned to eliminate duplicates Z: 10 7.905 1.685 0.451 0.245 1.000 0.222 CB 1.448 10 residues pruned to eliminate duplicates Z: 8 2.587 1.533 0.365 0.181 0.714 0.286 CB 0.960 Z: 7 3.016 1.647 0.131 0.355 0.833 0.500 CB 0.928 7 residues pruned to eliminate duplicates Z: 10 5.626 1.533 0.608 0.543 0.778 0.444 CB 0.938 10 residues pruned to eliminate duplicates Z: 12 7.130 1.665 0.207 0.457 1.000 0.364 CB 1.117 15 residues pruned to eliminate duplicates Z: 8 8.593 1.637 0.379 0.646 1.000 0.429 CB 1.255 8 residues pruned to eliminate duplicates Z: 18 8.624 1.596 0.397 0.585 0.882 0.412 CB 0.980 16 residues pruned to eliminate duplicates Z: 10 8.618 1.656 0.520 0.798 1.000 0.444 CB 0.879 10 residues pruned to eliminate duplicates Z: 8 9.407 1.763 0.550 0.591 0.857 0.714 CB 1.390 8 residues pruned to eliminate duplicates Z: 8 11.542 1.819 0.614 0.832 1.000 0.571 CB 1.116 8 residues pruned to eliminate duplicates Z: 11 5.067 1.535 0.138 0.799 1.000 0.900 CB 0.706 11 residues pruned to eliminate duplicates Z: 8 10.331 1.759 0.555 0.877 1.000 1.000 CB 1.036 9 residues pruned to eliminate duplicates Z: 9 10.448 1.762 0.468 0.892 1.000 0.750 CB 1.026 8 residues pruned to eliminate duplicates Z: 9 9.982 1.794 0.410 0.900 1.000 0.875 CB 0.997 9 residues pruned to eliminate duplicates Z: 8 8.785 1.714 0.891 0.911 1.000 1.000 CB 0.726 8 residues pruned to eliminate duplicates Z: 6 6.438 1.687 0.846 0.851 1.000 0.600 CB 0.684 6 residues pruned to eliminate duplicates Z: 10 9.559 1.761 0.812 0.871 1.000 0.667 CB 0.729 10 residues pruned to eliminate duplicates Z: 6 6.545 1.708 1.108 0.826 1.000 0.800 CB 0.613 6 residues pruned to eliminate duplicates Z: 22 6.625 1.607 0.358 0.217 0.905 0.571 CB 1.020 23 residues pruned to eliminate duplicates Z: 6 8.456 1.644 0.844 0.408 1.000 0.600 CB 1.373 6 residues pruned to eliminate duplicates Z: 13 8.518 1.807 0.722 0.323 0.917 0.583 CB 1.048 13 residues pruned to eliminate duplicates Z: 17 8.694 1.728 0.744 0.235 0.875 0.500 CB 1.121 17 residues pruned to eliminate duplicates Z: 24 14.201 1.800 0.505 0.585 0.957 0.652 CB 1.053 24 residues pruned to eliminate duplicates Z: 22 8.413 1.682 0.457 0.300 0.857 0.333 CB 1.093 22 residues pruned to eliminate duplicates Z: 26 14.705 1.762 0.524 0.562 0.960 0.680 CB 1.075 26 residues pruned to eliminate duplicates Z: 17 9.884 1.725 0.606 0.351 0.875 0.500 CB 1.197 17 residues pruned to eliminate duplicates Z: 25 9.349 1.670 0.513 0.315 0.833 0.500 CB 1.113 25 residues pruned to eliminate duplicates Z: 16 12.122 1.711 0.662 0.384 1.000 0.667 CB 1.244 16 residues pruned to eliminate duplicates Z: 6 5.223 1.515 0.259 0.554 1.000 0.800 CB 1.162 6 residues pruned to eliminate duplicates Z: 7 3.342 1.470 0.299 0.371 0.833 0.500 CA 0.985 7 residues pruned to eliminate duplicates Z: 15 7.179 1.719 0.361 0.295 0.857 0.571 CB 1.204 15 residues pruned to eliminate duplicates Z: 19 6.883 1.664 0.376 0.257 0.833 0.556 CB 1.122 19 residues pruned to eliminate duplicates 6 1.587 1.352 0.534 0.531 0.800 0.200 CB 0.415 ? Z: 6 5.934 1.895 0.421 0.563 0.800 0.400 CA 1.158 Z: 29 12.556 1.760 0.411 0.480 0.857 0.571 CB 1.138 35 residues pruned to eliminate duplicates Z: 35 21.272 1.912 0.571 0.496 0.912 0.471 CA 1.337 35 residues pruned to eliminate duplicates Z: 33 22.821 1.908 0.608 0.553 0.906 0.625 CB 1.378 33 residues pruned to eliminate duplicates Z: 38 19.363 1.918 0.517 0.464 0.865 0.649 CB 1.313 38 residues pruned to eliminate duplicates Z: 31 25.831 1.991 0.713 0.565 0.933 0.667 CB 1.391 31 residues pruned to eliminate duplicates Z: 30 24.145 1.977 0.658 0.555 0.862 0.759 CA 1.504 30 residues pruned to eliminate duplicates Z: 13 8.251 1.830 0.181 0.457 0.833 0.500 CB 1.382 Z: 9 8.602 1.831 0.757 0.592 0.625 0.125 CB 1.386 9 residues pruned to eliminate duplicates Z: 33 18.158 1.941 0.510 0.489 0.781 0.500 CB 1.418 33 residues pruned to eliminate duplicates Z: 44 23.337 1.927 0.570 0.553 0.860 0.581 CB 1.298 44 residues pruned to eliminate duplicates Z: 21 22.204 1.955 0.702 0.534 0.950 0.600 CB 1.519 21 residues pruned to eliminate duplicates Z: 32 19.454 1.946 0.572 0.482 0.839 0.516 CB 1.387 45 residues pruned to eliminate duplicates Z: 33 20.835 1.896 0.643 0.492 0.875 0.531 CB 1.361 33 residues pruned to eliminate duplicates Z: 32 20.881 1.962 0.669 0.469 0.871 0.452 CB 1.358 32 residues pruned to eliminate duplicates Z: 31 17.893 1.946 0.506 0.494 0.833 0.567 CB 1.345 31 residues pruned to eliminate duplicates Z: 36 20.177 1.910 0.586 0.430 0.886 0.514 CB 1.367 36 residues pruned to eliminate duplicates Z: 31 23.928 1.960 0.793 0.483 0.867 0.567 CB 1.459 31 residues pruned to eliminate duplicates Z: 32 24.981 1.974 0.720 0.515 0.903 0.645 CB 1.442 32 residues pruned to eliminate duplicates Z: 30 23.081 1.963 0.753 0.480 0.897 0.483 CB 1.418 30 residues pruned to eliminate duplicates Z: 46 22.249 1.849 0.613 0.484 0.867 0.511 CB 1.303 46 residues pruned to eliminate duplicates Z: 37 22.067 1.895 0.628 0.478 0.917 0.500 CB 1.330 37 residues pruned to eliminate duplicates Z: 36 18.646 1.892 0.696 0.427 0.829 0.543 CB 1.278 36 residues pruned to eliminate duplicates Z: 15 11.107 1.826 0.745 0.421 0.857 0.571 CA 1.181 15 residues pruned to eliminate duplicates Z: 42 22.273 1.937 0.507 0.480 0.878 0.610 CB 1.385 61 residues pruned to eliminate duplicates Z: 18 19.338 1.836 0.637 0.777 0.941 0.765 CA 1.299 18 residues pruned to eliminate duplicates Z: 16 10.116 1.898 0.459 0.492 0.800 0.733 CB 1.189 16 residues pruned to eliminate duplicates Z: 19 16.634 1.880 0.725 0.653 0.833 0.722 CB 1.259 19 residues pruned to eliminate duplicates Z: 19 20.436 1.935 0.696 0.657 0.889 0.667 CB 1.427 19 residues pruned to eliminate duplicates Z: 27 17.056 1.778 0.612 0.607 0.923 0.654 CB 1.143 17 residues pruned to eliminate duplicates Z: 15 20.977 1.841 0.755 0.929 1.000 1.000 CA 1.214 15 residues pruned to eliminate duplicates Z: 16 22.815 1.909 0.971 0.733 0.867 0.533 CB 1.465 16 residues pruned to eliminate duplicates Z: 42 27.224 1.900 0.742 0.542 0.976 0.659 CB 1.263 42 residues pruned to eliminate duplicates Z: 17 21.942 1.884 0.967 0.851 0.812 0.688 CB 1.349 17 residues pruned to eliminate duplicates Z: 18 23.584 1.935 0.931 0.767 0.941 0.824 CB 1.283 29 residues pruned to eliminate duplicates Z: 17 22.564 1.807 0.807 0.876 1.000 0.812 CB 1.255 17 residues pruned to eliminate duplicates Z: 47 28.996 1.892 0.830 0.492 0.891 0.674 CB 1.396 47 residues pruned to eliminate duplicates Z: 13 7.140 1.769 0.368 0.410 0.750 0.750 CB 1.247 13 residues pruned to eliminate duplicates Z: 18 8.158 1.736 0.516 0.330 0.824 0.412 CB 1.100 18 residues pruned to eliminate duplicates Z: 15 10.232 1.682 0.620 0.437 0.929 0.571 CB 1.154 15 residues pruned to eliminate duplicates Z: 11 9.393 1.802 0.565 0.522 0.800 0.600 CB 1.288 11 residues pruned to eliminate duplicates Z: 13 5.340 1.605 0.440 0.329 0.750 0.333 CB 1.072 13 residues pruned to eliminate duplicates Z: 47 19.299 1.846 0.332 0.548 0.870 0.652 CB 1.270 47 residues pruned to eliminate duplicates Z: 13 7.516 1.702 0.516 0.349 0.833 0.333 CB 1.190 13 residues pruned to eliminate duplicates Z: 6 8.746 1.924 0.275 0.596 1.000 0.800 CA 1.454 6 residues pruned to eliminate duplicates Z: 25 20.357 1.806 0.994 0.671 0.875 0.375 CB 1.126 16 residues pruned to eliminate duplicates Z: 11 9.962 1.851 0.498 0.806 0.900 0.500 CB 0.967 11 residues pruned to eliminate duplicates Z: 11 10.848 1.909 0.366 0.744 1.000 0.700 CB 1.057 11 residues pruned to eliminate duplicates Z: 11 9.955 1.875 0.404 0.742 1.000 0.500 CB 0.963 11 residues pruned to eliminate duplicates Z: 10 12.859 1.969 0.639 0.754 1.000 0.889 CB 1.060 10 residues pruned to eliminate duplicates Z: 10 12.213 1.955 0.485 0.801 1.000 0.667 CB 1.078 10 residues pruned to eliminate duplicates Z: 11 13.472 1.954 0.468 0.801 1.000 0.700 CB 1.142 11 residues pruned to eliminate duplicates Z: 10 9.770 1.897 0.593 0.783 0.889 0.556 CB 0.945 10 residues pruned to eliminate duplicates Z: 11 10.812 1.917 0.387 0.771 1.000 0.700 CB 1.012 11 residues pruned to eliminate duplicates Z: 11 13.682 1.935 0.537 0.857 1.000 0.500 CB 1.072 11 residues pruned to eliminate duplicates Z: 11 11.159 1.878 0.223 0.853 1.000 0.900 CB 1.135 11 residues pruned to eliminate duplicates 913 residues left after pruning, divided into chains as follows: A: 9 B: 12 C: 7 D: 6 E: 6 F: 10 G: 8 H: 24 I: 8 J: 37 K: 20 L: 9 M: 12 N: 16 O: 16 P: 6 Q: 9 R: 24 S: 8 T: 15 U: 23 V: 24 W: 9 X: 12 Y: 8 Z: 22 Z: 132 Z: 15 Z: 199 Z: 18 Z: 10 Z: 26 Z: 142 Z: 11 CC for partial structure against native data = 32.65 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.410, Connect. = 0.702 for dens.mod. cycle 1 = 0.300, Contrast = 0.471, Connect. = 0.725 for dens.mod. cycle 2 = 0.300, Contrast = 0.560, Connect. = 0.754 for dens.mod. cycle 3 = 0.300, Contrast = 0.572, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.582, Connect. = 0.760 for dens.mod. cycle 5 = 0.300, Contrast = 0.588, Connect. = 0.761 for dens.mod. cycle 6 = 0.300, Contrast = 0.593, Connect. = 0.763 for dens.mod. cycle 7 = 0.300, Contrast = 0.596, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.598, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.599, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4714 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1180 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 32.869 2.040 0.699 0.928 1.000 0.714 CA 1.774 B: 15 24.285 1.876 0.730 0.871 1.000 0.500 CB 1.459 14 residues pruned to eliminate duplicates C: 10 10.988 2.045 0.417 0.828 0.889 0.778 CB 1.071 D: 17 18.395 1.904 0.581 0.758 0.938 0.688 CA 1.294 E: 16 25.210 2.065 0.560 0.848 1.000 0.867 CA 1.498 F: 17 17.062 1.960 0.479 0.821 0.938 0.812 CB 1.188 G: 18 20.439 2.023 0.492 0.833 0.882 0.706 CA 1.397 16 residues pruned to eliminate duplicates H: 16 14.972 1.799 0.470 0.922 0.867 0.733 CB 1.186 I: 15 31.473 2.018 0.657 0.934 1.000 0.571 CB 1.754 15 residues pruned to eliminate duplicates J: 13 17.336 1.873 0.508 0.873 0.917 0.833 CA 1.408 K: 6 3.172 1.732 0.333 0.519 0.600 0.600 CB 1.005 L: 18 23.026 1.767 0.612 0.898 1.000 0.765 CA 1.402 M: 14 9.316 1.742 0.516 0.337 1.000 0.462 CB 1.168 N: 17 25.016 1.831 0.792 0.853 0.938 0.875 CA 1.502 O: 13 18.254 1.858 0.371 0.923 1.000 0.833 CA 1.453 13 residues pruned to eliminate duplicates P: 7 9.695 1.773 0.909 0.567 0.833 0.500 CA 1.316 Q: 14 24.053 1.839 1.181 0.899 0.923 0.692 CA 1.288 R: 10 10.191 1.737 0.318 0.885 0.889 0.889 CA 1.206 S: 13 16.754 1.865 0.710 0.721 1.000 0.500 CA 1.242 T: 14 23.652 1.906 1.108 0.874 0.923 0.615 CA 1.287 U: 11 12.686 1.948 0.597 0.857 0.800 0.700 CB 1.188 10 residues pruned to eliminate duplicates V: 22 19.187 1.909 0.678 0.603 0.952 0.667 CB 1.245 W: 14 16.669 1.977 0.433 0.670 0.923 0.692 CA 1.510 10 residues pruned to eliminate duplicates X: 17 25.258 1.810 0.965 0.837 0.938 0.812 CB 1.416 14 residues pruned to eliminate duplicates Y: 7 7.135 1.828 0.416 0.341 1.000 0.500 CB 1.338 Z: 10 8.593 1.797 0.174 0.463 0.889 0.556 CA 1.585 9 residues pruned to eliminate duplicates Z: 7 8.764 1.645 0.534 0.752 1.000 0.833 CA 1.133 Z: 7 10.723 1.924 0.385 0.841 0.833 0.667 CA 1.470 Z: 16 25.382 1.874 0.766 0.865 1.000 0.800 CB 1.451 Z: 15 16.449 1.882 0.251 0.914 1.000 1.000 CA 1.321 13 residues pruned to eliminate duplicates Z: 18 28.583 1.827 0.927 0.894 1.000 0.824 CA 1.412 17 residues pruned to eliminate duplicates Z: 17 25.369 1.783 0.917 0.934 0.938 0.938 CA 1.381 17 residues pruned to eliminate duplicates Z: 13 7.701 1.776 0.195 0.351 0.833 0.500 N 1.477 Z: 11 6.553 1.816 0.193 0.567 0.700 0.500 CB 1.281 Z: 27 19.027 1.845 0.436 0.569 0.923 0.577 CB 1.428 23 residues pruned to eliminate duplicates Z: 12 19.599 1.998 0.426 0.911 1.000 1.000 CA 1.470 12 residues pruned to eliminate duplicates Z: 49 25.097 1.859 0.592 0.474 0.917 0.708 CB 1.371 17 residues pruned to eliminate duplicates Z: 8 7.655 1.771 0.409 0.595 0.857 0.429 CA 1.235 Z: 23 14.057 1.823 0.514 0.581 0.955 0.682 CB 1.052 Z: 7 7.245 1.508 0.355 0.868 1.000 0.833 N 1.058 7 residues pruned to eliminate duplicates Z: 20 9.751 1.690 0.512 0.476 0.789 0.526 CB 1.137 20 residues pruned to eliminate duplicates Z: 8 6.619 1.824 0.535 0.274 0.857 0.143 CB 1.346 5 residues pruned to eliminate duplicates Z: 16 28.128 2.162 0.623 0.842 0.933 0.800 CA 1.653 17 residues pruned to eliminate duplicates Z: 17 31.690 1.873 0.845 0.951 1.000 0.875 CA 1.581 17 residues pruned to eliminate duplicates Z: 13 9.836 1.798 0.531 0.535 0.917 0.583 CB 1.087 7 residues pruned to eliminate duplicates Z: 32 21.912 1.926 0.533 0.496 0.935 0.548 CB 1.431 Z: 18 27.588 2.015 0.771 0.820 0.941 0.647 CA 1.508 18 residues pruned to eliminate duplicates Z: 13 15.165 1.906 0.474 0.768 1.000 0.667 CA 1.229 13 residues pruned to eliminate duplicates Z: 8 8.194 1.706 0.276 0.788 1.000 0.429 CB 1.105 8 residues pruned to eliminate duplicates Z: 9 6.670 1.630 0.369 0.724 0.750 0.750 CB 1.152 Z: 29 21.113 1.940 0.413 0.521 0.964 0.536 CB 1.478 29 residues pruned to eliminate duplicates Z: 33 15.288 1.725 0.521 0.487 0.812 0.562 CB 1.284 Z: 17 27.291 1.845 1.041 0.868 0.938 0.625 CA 1.413 17 residues pruned to eliminate duplicates Z: 14 21.580 1.859 0.675 0.908 1.000 1.000 N 1.365 14 residues pruned to eliminate duplicates Z: 22 16.114 1.959 0.452 0.571 0.857 0.619 CA 1.346 15 residues pruned to eliminate duplicates Z: 17 22.486 1.972 0.599 0.789 0.938 0.750 CB 1.476 17 residues pruned to eliminate duplicates Z: 14 19.167 1.845 0.578 0.861 0.923 0.846 CB 1.454 13 residues pruned to eliminate duplicates Z: 9 4.093 1.672 0.361 0.412 0.875 0.625 CB 0.797 Z: 19 23.800 1.928 0.694 0.829 0.944 0.778 CB 1.369 17 residues pruned to eliminate duplicates Z: 11 13.844 2.029 0.771 0.828 0.900 0.500 CA 1.019 12 residues pruned to eliminate duplicates Z: 10 6.046 1.658 -0.070 0.856 1.000 0.889 CB 0.964 Z: 18 21.650 1.794 0.649 0.745 1.000 0.706 CB 1.425 18 residues pruned to eliminate duplicates Z: 12 13.390 1.786 0.618 0.848 1.000 0.818 CB 1.037 Z: 17 18.872 1.859 0.643 0.755 0.875 0.625 CA 1.405 17 residues pruned to eliminate duplicates Z: 14 15.184 1.812 0.358 0.834 0.923 0.692 CA 1.391 14 residues pruned to eliminate duplicates Z: 14 21.108 2.021 0.347 0.916 1.000 0.846 CB 1.519 14 residues pruned to eliminate duplicates Z: 18 17.639 1.997 0.142 0.829 1.000 0.824 CA 1.413 18 residues pruned to eliminate duplicates Z: 15 28.236 1.901 1.038 0.912 0.929 0.857 CA 1.485 15 residues pruned to eliminate duplicates Z: 10 7.887 1.861 0.091 0.511 0.889 0.556 CB 1.440 Z: 6 3.497 1.390 0.202 0.647 1.000 0.600 CB 0.816 Z: 13 20.848 1.915 0.541 0.915 1.000 0.833 CA 1.441 13 residues pruned to eliminate duplicates Z: 6 4.469 1.611 0.288 0.817 1.000 0.800 CA 0.731 Z: 6 7.155 1.894 0.435 0.519 0.800 0.600 CA 1.445 9 residues pruned to eliminate duplicates Z: 12 15.488 1.789 0.668 0.828 0.909 0.545 CB 1.296 14 residues pruned to eliminate duplicates Z: 7 12.404 1.959 0.540 0.835 0.833 0.667 CB 1.508 7 residues pruned to eliminate duplicates Z: 16 23.227 1.913 0.400 0.936 1.000 0.933 CB 1.560 16 residues pruned to eliminate duplicates Z: 18 11.924 1.870 0.401 0.537 0.824 0.588 CB 1.293 Z: 21 19.085 1.804 0.600 0.798 0.850 0.650 CB 1.340 17 residues pruned to eliminate duplicates Z: 7 8.681 1.807 0.273 0.725 1.000 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 15 22.624 2.005 0.540 0.872 1.000 0.714 CB 1.428 14 residues pruned to eliminate duplicates Z: 25 15.726 1.831 0.391 0.514 0.958 0.708 CB 1.298 Z: 10 16.446 1.935 0.743 0.865 1.000 0.667 CB 1.191 Z: 15 13.152 1.696 0.532 0.871 0.929 0.786 CB 1.063 15 residues pruned to eliminate duplicates Z: 11 12.435 1.719 0.396 0.782 0.900 0.700 CB 1.420 9 residues pruned to eliminate duplicates Z: 10 13.342 2.000 0.519 0.834 1.000 0.778 CB 1.097 10 residues pruned to eliminate duplicates Z: 17 30.640 1.861 1.051 0.900 1.000 0.812 CA 1.434 17 residues pruned to eliminate duplicates Z: 9 7.174 1.727 0.221 0.485 0.875 0.750 CB 1.396 6 residues pruned to eliminate duplicates Z: 9 4.016 1.812 0.120 0.382 0.625 0.375 CB 1.270 Z: 9 9.846 1.716 0.507 0.814 1.000 0.875 CB 1.025 10 residues pruned to eliminate duplicates Z: 8 3.449 1.496 0.144 0.474 0.714 0.571 CB 1.095 6 residues pruned to eliminate duplicates Z: 13 20.357 1.898 0.525 0.942 1.000 0.833 CA 1.408 Z: 18 27.899 1.836 0.632 0.936 1.000 1.000 CA 1.573 18 residues pruned to eliminate duplicates Z: 14 7.671 1.691 0.442 0.530 0.846 0.538 CB 1.001 14 residues pruned to eliminate duplicates Z: 13 20.214 1.951 0.462 0.920 1.000 0.917 CA 1.441 13 residues pruned to eliminate duplicates Z: 13 15.043 1.851 0.291 0.901 1.000 1.000 CA 1.297 13 residues pruned to eliminate duplicates Z: 12 18.655 1.938 0.848 0.779 1.000 0.727 CA 1.227 12 residues pruned to eliminate duplicates Z: 18 24.232 1.781 0.808 0.880 0.941 0.765 CB 1.405 18 residues pruned to eliminate duplicates Z: 12 11.468 1.847 0.494 0.874 0.818 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 12 9.982 1.799 0.389 0.486 0.909 0.636 N 1.344 14 residues pruned to eliminate duplicates Z: 17 20.688 2.000 0.330 0.873 1.000 0.938 CB 1.416 17 residues pruned to eliminate duplicates Z: 21 15.078 1.878 0.320 0.797 0.900 0.650 CB 1.165 20 residues pruned to eliminate duplicates Z: 7 4.188 1.688 0.557 0.456 0.500 0.500 CB 1.361 7 residues pruned to eliminate duplicates Z: 6 8.857 1.510 0.588 0.772 1.000 0.800 CA 1.298 6 residues pruned to eliminate duplicates Z: 24 13.464 1.826 0.502 0.538 0.913 0.609 CB 1.080 24 residues pruned to eliminate duplicates Z: 15 24.821 1.951 0.490 0.914 1.000 0.929 CA 1.615 15 residues pruned to eliminate duplicates Z: 14 19.232 1.863 0.295 0.910 1.000 1.000 N 1.568 14 residues pruned to eliminate duplicates Z: 10 7.196 1.950 0.517 0.309 0.889 0.667 CB 1.127 Z: 18 22.044 1.841 0.688 0.846 0.941 0.824 CA 1.358 18 residues pruned to eliminate duplicates Z: 9 6.003 1.663 0.366 0.549 0.875 0.500 CB 1.018 9 residues pruned to eliminate duplicates Z: 18 17.785 1.977 0.591 0.498 0.941 0.588 CB 1.460 18 residues pruned to eliminate duplicates Z: 7 9.850 1.836 0.452 0.830 0.833 0.167 CA 1.362 7 residues pruned to eliminate duplicates Z: 14 14.913 1.815 0.257 0.914 1.000 0.846 CA 1.282 14 residues pruned to eliminate duplicates Z: 6 5.787 1.941 -0.025 0.797 1.000 0.400 CB 1.055 6 residues pruned to eliminate duplicates Z: 31 24.672 1.939 0.707 0.527 0.933 0.600 CB 1.420 23 residues pruned to eliminate duplicates Z: 43 21.345 1.762 0.582 0.531 0.833 0.524 CB 1.375 29 residues pruned to eliminate duplicates Z: 12 8.838 1.712 0.592 0.627 0.909 0.727 CA 0.954 12 residues pruned to eliminate duplicates Z: 18 22.966 1.834 0.578 0.830 1.000 1.000 CA 1.448 18 residues pruned to eliminate duplicates Z: 10 16.601 2.038 0.607 0.894 1.000 1.000 CA 1.212 10 residues pruned to eliminate duplicates Z: 28 23.447 1.881 0.936 0.584 0.926 0.630 CB 1.234 28 residues pruned to eliminate duplicates Z: 6 3.895 1.676 0.272 0.811 1.000 1.000 CA 0.623 6 residues pruned to eliminate duplicates Z: 10 9.856 1.701 0.213 0.833 1.000 0.667 CB 1.194 10 residues pruned to eliminate duplicates Z: 19 23.663 1.763 0.850 0.911 0.944 0.778 CA 1.283 19 residues pruned to eliminate duplicates Z: 10 7.786 1.684 0.319 0.771 0.889 0.667 CB 1.034 10 residues pruned to eliminate duplicates Z: 17 27.503 1.846 0.659 0.935 1.000 0.938 CA 1.565 17 residues pruned to eliminate duplicates Z: 19 26.195 1.756 0.992 0.881 0.944 0.778 N 1.353 19 residues pruned to eliminate duplicates Z: 9 7.472 1.771 0.416 0.585 0.750 0.625 CB 1.295 Z: 14 20.278 1.847 0.389 0.914 1.000 0.846 N 1.550 14 residues pruned to eliminate duplicates Z: 11 8.223 1.798 0.392 0.417 0.800 0.600 CB 1.416 11 residues pruned to eliminate duplicates Z: 16 10.441 1.887 0.302 0.437 0.800 0.600 CA 1.463 16 residues pruned to eliminate duplicates Z: 22 22.388 1.950 0.904 0.531 0.905 0.524 CB 1.411 22 residues pruned to eliminate duplicates Z: 43 21.400 1.764 0.559 0.584 0.881 0.476 CB 1.257 22 residues pruned to eliminate duplicates Z: 13 12.730 1.838 0.380 0.820 0.917 0.750 CB 1.197 13 residues pruned to eliminate duplicates Z: 16 18.819 1.877 0.458 0.866 0.933 0.667 CA 1.393 16 residues pruned to eliminate duplicates Z: 16 34.322 2.158 0.832 0.846 1.000 0.800 CB 1.666 18 residues pruned to eliminate duplicates Z: 21 8.370 1.671 0.559 0.279 0.800 0.350 CB 1.153 21 residues pruned to eliminate duplicates Z: 7 6.868 1.653 0.043 0.869 1.000 0.667 CA 1.188 7 residues pruned to eliminate duplicates Z: 16 17.291 1.774 0.522 0.912 1.000 0.733 CA 1.171 14 residues pruned to eliminate duplicates Z: 16 25.633 2.004 0.743 0.911 1.000 0.667 CA 1.342 16 residues pruned to eliminate duplicates Z: 33 21.979 1.880 0.619 0.573 0.812 0.562 CB 1.464 45 residues pruned to eliminate duplicates Z: 21 15.255 1.774 0.437 0.649 1.000 0.700 CA 1.164 21 residues pruned to eliminate duplicates Z: 12 12.205 1.818 0.673 0.856 0.909 0.636 CB 0.981 12 residues pruned to eliminate duplicates Z: 15 9.085 1.726 0.321 0.332 0.929 0.429 CB 1.379 13 residues pruned to eliminate duplicates Z: 9 3.909 1.656 0.089 0.266 0.750 0.375 CB 1.333 9 residues pruned to eliminate duplicates Z: 18 23.123 1.840 0.826 0.873 0.941 0.765 CA 1.292 18 residues pruned to eliminate duplicates Z: 15 7.728 1.801 0.625 0.288 0.857 0.571 CB 1.046 15 residues pruned to eliminate duplicates Z: 12 9.104 1.771 0.219 0.389 1.000 0.636 N 1.431 14 residues pruned to eliminate duplicates Z: 27 13.645 1.749 0.427 0.451 0.923 0.577 CB 1.221 27 residues pruned to eliminate duplicates Z: 10 7.059 1.704 0.329 0.368 0.889 0.556 CB 1.347 10 residues pruned to eliminate duplicates Z: 17 18.826 1.867 0.458 0.889 0.938 0.875 CB 1.328 17 residues pruned to eliminate duplicates Z: 17 18.393 1.793 0.620 0.875 0.938 0.812 CA 1.228 17 residues pruned to eliminate duplicates Z: 18 20.245 1.818 0.404 0.919 1.000 0.941 CA 1.356 18 residues pruned to eliminate duplicates Z: 11 7.349 1.740 0.423 0.406 0.800 0.500 CB 1.295 17 residues pruned to eliminate duplicates Z: 14 18.631 1.879 0.490 0.879 0.923 0.923 CA 1.450 14 residues pruned to eliminate duplicates Z: 10 4.662 1.592 0.355 0.409 0.778 0.556 CB 1.019 Z: 17 8.996 1.726 0.356 0.361 0.875 0.500 CB 1.276 Z: 18 24.716 1.776 0.755 0.879 0.941 0.765 N 1.482 18 residues pruned to eliminate duplicates Z: 6 4.529 1.628 0.375 0.603 0.800 0.600 N 1.025 Z: 17 17.522 1.907 0.396 0.887 1.000 0.938 CA 1.187 17 residues pruned to eliminate duplicates Z: 14 16.216 1.855 0.277 0.886 1.000 0.769 CA 1.371 14 residues pruned to eliminate duplicates Z: 13 15.376 1.851 0.369 0.880 1.000 0.833 CA 1.269 13 residues pruned to eliminate duplicates Z: 8 6.461 1.690 0.463 0.810 0.857 0.429 CB 0.880 Z: 26 16.550 1.795 0.433 0.484 0.960 0.600 CB 1.362 25 residues pruned to eliminate duplicates Z: 13 9.117 1.834 0.714 0.354 1.000 0.583 CB 0.981 13 residues pruned to eliminate duplicates Z: 41 19.929 1.728 0.733 0.428 0.925 0.600 CB 1.226 41 residues pruned to eliminate duplicates Z: 17 17.721 1.809 0.588 0.881 1.000 0.938 CA 1.117 16 residues pruned to eliminate duplicates Z: 10 7.235 1.854 0.464 0.317 0.889 0.889 CB 1.224 10 residues pruned to eliminate duplicates Z: 11 14.812 1.992 0.387 0.867 1.000 0.900 CA 1.240 11 residues pruned to eliminate duplicates Z: 7 5.049 1.839 0.118 0.248 1.000 0.667 CB 1.341 Z: 16 10.256 1.781 0.683 0.324 0.867 0.400 CB 1.236 13 residues pruned to eliminate duplicates Z: 9 3.531 1.758 -0.078 0.199 0.875 0.500 CB 1.259 9 residues pruned to eliminate duplicates Z: 8 13.229 1.981 0.687 0.653 1.000 0.857 CB 1.297 Z: 15 16.674 2.006 0.408 0.841 0.929 0.929 CB 1.267 15 residues pruned to eliminate duplicates Z: 16 22.200 1.973 0.427 0.904 1.000 0.800 CB 1.450 16 residues pruned to eliminate duplicates Z: 18 15.296 1.936 0.249 0.820 0.941 0.706 CB 1.235 18 residues pruned to eliminate duplicates Z: 10 7.978 1.508 0.506 0.762 0.889 0.556 CA 1.044 10 residues pruned to eliminate duplicates Z: 26 17.700 1.781 0.721 0.545 0.760 0.520 N 1.454 26 residues pruned to eliminate duplicates Z: 14 20.356 1.893 0.478 0.891 1.000 0.923 N 1.450 14 residues pruned to eliminate duplicates Z: 21 14.289 1.829 0.408 0.447 0.900 0.600 N 1.456 21 residues pruned to eliminate duplicates Z: 7 4.949 1.670 0.195 0.684 0.667 0.333 CA 1.282 7 residues pruned to eliminate duplicates Z: 6 9.665 1.818 0.245 0.776 1.000 0.800 CA 1.496 Z: 14 18.763 1.935 0.548 0.905 1.000 0.846 CA 1.237 14 residues pruned to eliminate duplicates Z: 12 14.194 1.805 0.637 0.785 1.000 0.909 CB 1.127 12 residues pruned to eliminate duplicates Z: 17 18.502 1.841 0.410 0.924 1.000 0.938 CA 1.251 17 residues pruned to eliminate duplicates Z: 16 17.433 1.916 0.443 0.888 0.933 0.733 CB 1.257 16 residues pruned to eliminate duplicates Z: 14 21.141 1.845 0.948 0.905 0.923 0.615 CB 1.258 14 residues pruned to eliminate duplicates Z: 7 4.878 1.606 0.411 0.492 0.833 0.667 CB 1.063 Z: 15 24.538 1.973 0.595 0.923 1.000 0.929 CA 1.464 15 residues pruned to eliminate duplicates Z: 13 11.765 1.813 0.516 0.774 0.917 0.750 CB 1.059 13 residues pruned to eliminate duplicates Z: 16 13.502 1.778 0.587 0.895 0.933 0.267 CB 0.949 16 residues pruned to eliminate duplicates Z: 18 23.290 1.845 0.417 0.942 1.000 0.941 CA 1.499 18 residues pruned to eliminate duplicates Z: 21 21.836 1.836 0.673 0.719 1.000 0.650 CB 1.304 21 residues pruned to eliminate duplicates Z: 11 7.851 1.837 0.667 0.335 0.800 0.400 CB 1.213 11 residues pruned to eliminate duplicates Z: 30 20.113 1.939 0.502 0.512 0.931 0.621 CB 1.360 30 residues pruned to eliminate duplicates Z: 7 3.279 1.224 0.279 0.682 0.833 0.500 CB 0.867 7 residues pruned to eliminate duplicates Z: 23 15.913 1.793 0.729 0.496 0.818 0.545 CB 1.343 23 residues pruned to eliminate duplicates Z: 6 7.351 1.663 0.593 0.612 1.000 0.400 CB 1.116 6 residues pruned to eliminate duplicates Z: 17 9.844 1.764 0.461 0.472 0.812 0.500 CB 1.209 17 residues pruned to eliminate duplicates Z: 16 16.684 1.759 0.508 0.923 1.000 0.667 CB 1.141 16 residues pruned to eliminate duplicates Z: 13 18.609 1.969 0.333 0.907 1.000 0.917 CB 1.455 15 residues pruned to eliminate duplicates Z: 18 18.850 1.865 0.399 0.877 1.000 0.941 CA 1.272 18 residues pruned to eliminate duplicates Z: 15 9.744 1.746 0.297 0.438 0.857 0.714 CB 1.430 15 residues pruned to eliminate duplicates Z: 17 23.349 1.911 0.775 0.881 1.000 0.625 CA 1.246 17 residues pruned to eliminate duplicates Z: 12 17.561 2.016 0.419 0.894 1.000 0.727 CB 1.328 12 residues pruned to eliminate duplicates Z: 15 29.259 2.028 0.650 0.940 1.000 0.571 CB 1.623 15 residues pruned to eliminate duplicates Z: 6 7.370 1.650 0.324 0.713 1.000 0.600 CB 1.244 6 residues pruned to eliminate duplicates Z: 9 9.410 1.576 0.546 0.782 1.000 0.750 CA 1.065 Z: 11 7.984 1.865 0.110 0.759 0.800 0.600 CB 1.211 Z: 9 12.106 2.089 0.164 0.871 1.000 0.750 CB 1.285 9 residues pruned to eliminate duplicates Z: 15 28.799 2.045 0.588 0.923 1.000 0.857 CA 1.665 15 residues pruned to eliminate duplicates Z: 53 25.636 1.936 0.678 0.530 0.865 0.538 CB 1.228 46 residues pruned to eliminate duplicates Z: 18 16.212 1.742 0.425 0.841 1.000 0.941 CA 1.181 17 residues pruned to eliminate duplicates Z: 16 16.895 1.961 0.387 0.863 0.867 0.800 CA 1.357 16 residues pruned to eliminate duplicates Z: 19 22.794 1.744 0.790 0.868 0.944 0.722 CA 1.332 19 residues pruned to eliminate duplicates Z: 13 6.733 1.692 0.592 0.449 0.833 0.583 CB 0.913 11 residues pruned to eliminate duplicates Z: 19 17.343 1.853 0.509 0.821 0.944 0.667 CB 1.172 19 residues pruned to eliminate duplicates Z: 6 6.708 1.577 0.494 0.673 1.000 0.800 CA 1.086 6 residues pruned to eliminate duplicates Z: 16 23.812 1.821 0.900 0.878 1.000 0.600 CA 1.290 16 residues pruned to eliminate duplicates Z: 10 11.898 1.988 0.505 0.843 0.889 0.778 CB 1.111 11 residues pruned to eliminate duplicates Z: 10 8.016 1.698 0.497 0.750 0.667 0.667 CB 1.261 10 residues pruned to eliminate duplicates Z: 9 14.501 1.863 0.750 0.906 1.000 0.875 CB 1.118 Z: 7 10.900 1.658 0.953 0.906 1.000 0.833 CA 0.978 Z: 13 6.709 1.748 0.542 0.313 0.833 0.583 CB 1.061 13 residues pruned to eliminate duplicates Z: 6 3.591 1.503 0.435 0.508 0.800 0.400 CB 0.923 Z: 19 7.840 1.784 0.443 0.322 0.833 0.333 CB 1.047 19 residues pruned to eliminate duplicates Z: 11 8.903 1.716 0.256 0.812 0.900 0.400 CB 1.106 11 residues pruned to eliminate duplicates Z: 8 8.491 1.591 0.670 0.584 1.000 0.571 N 1.115 6 residues pruned to eliminate duplicates Z: 9 3.765 1.622 0.550 0.460 0.750 0.500 CB 0.736 Z: 18 18.935 1.764 0.541 0.807 0.941 0.706 CA 1.374 18 residues pruned to eliminate duplicates Z: 6 2.956 1.658 0.085 0.299 1.000 0.800 CB 0.920 Z: 18 13.154 1.717 0.588 0.659 0.941 0.588 CB 1.072 18 residues pruned to eliminate duplicates Z: 17 15.360 1.815 0.293 0.820 0.938 0.875 CA 1.322 17 residues pruned to eliminate duplicates Z: 13 16.192 1.669 0.663 0.834 1.000 0.750 CA 1.263 13 residues pruned to eliminate duplicates Z: 7 4.111 1.597 0.412 0.439 0.667 0.500 CA 1.189 7 residues pruned to eliminate duplicates Z: 17 24.770 1.876 0.806 0.887 0.938 0.812 CA 1.406 17 residues pruned to eliminate duplicates Z: 8 5.590 1.378 0.387 0.493 1.000 0.286 CA 1.113 7 residues pruned to eliminate duplicates Z: 7 4.465 1.806 0.060 0.242 1.000 0.667 CB 1.283 7 residues pruned to eliminate duplicates Z: 18 9.224 1.660 0.442 0.415 0.882 0.588 CB 1.157 8 residues pruned to eliminate duplicates Z: 14 24.927 1.884 0.921 0.918 1.000 0.769 CB 1.347 17 residues pruned to eliminate duplicates Z: 8 6.947 1.714 0.572 0.397 0.857 0.571 CB 1.267 6 residues pruned to eliminate duplicates Z: 20 19.715 1.853 0.569 0.739 0.947 0.579 CB 1.325 26 residues pruned to eliminate duplicates Z: 14 7.120 1.692 0.642 0.371 0.846 0.692 CB 0.964 14 residues pruned to eliminate duplicates Z: 17 23.819 1.906 0.667 0.910 0.938 0.812 CA 1.418 16 residues pruned to eliminate duplicates Z: 6 11.241 1.709 0.570 0.847 1.000 0.600 CA 1.391 Z: 26 15.910 1.808 0.436 0.461 0.960 0.560 CB 1.329 26 residues pruned to eliminate duplicates Z: 14 17.664 1.890 0.357 0.896 1.000 0.769 CA 1.369 14 residues pruned to eliminate duplicates Z: 12 18.001 1.874 0.282 0.887 1.000 1.000 CA 1.628 12 residues pruned to eliminate duplicates Z: 13 10.991 1.649 0.450 0.849 0.917 0.833 CB 1.073 Z: 8 9.470 1.520 0.764 0.851 1.000 0.857 CA 0.988 12 residues pruned to eliminate duplicates Z: 25 15.219 1.685 0.527 0.717 0.792 0.583 CB 1.253 25 residues pruned to eliminate duplicates Z: 7 7.471 1.545 0.779 0.719 1.000 0.667 CB 0.911 7 residues pruned to eliminate duplicates Z: 9 11.541 1.639 0.353 0.861 1.000 0.500 CA 1.352 9 residues pruned to eliminate duplicates Z: 12 8.187 1.516 0.503 0.850 1.000 0.545 CB 0.802 10 residues pruned to eliminate duplicates Z: 11 11.582 1.617 0.452 0.841 1.000 0.600 CB 1.164 11 residues pruned to eliminate duplicates Z: 8 10.740 1.531 0.693 0.819 1.000 0.857 CB 1.187 Z: 10 8.322 1.778 0.375 0.866 1.000 0.667 CB 0.830 8 residues pruned to eliminate duplicates Z: 12 11.037 1.867 0.406 0.781 0.818 0.545 CA 1.209 12 residues pruned to eliminate duplicates Z: 31 16.940 1.897 0.511 0.444 0.833 0.667 CB 1.371 31 residues pruned to eliminate duplicates Z: 15 20.192 1.993 0.394 0.877 0.929 0.857 CA 1.519 15 residues pruned to eliminate duplicates Z: 16 7.591 1.732 0.346 0.349 0.933 0.467 CB 1.061 16 residues pruned to eliminate duplicates Z: 19 21.854 1.739 0.720 0.868 0.944 0.778 CA 1.333 19 residues pruned to eliminate duplicates Z: 18 12.505 1.899 0.621 0.428 0.941 0.588 CB 1.129 17 residues pruned to eliminate duplicates Z: 33 16.897 1.847 0.454 0.476 0.906 0.594 CB 1.257 33 residues pruned to eliminate duplicates Z: 7 8.363 1.719 0.482 0.636 1.000 0.667 CB 1.180 Z: 11 16.808 1.805 0.621 0.863 1.000 0.900 CB 1.333 12 residues pruned to eliminate duplicates Z: 18 25.358 1.792 1.015 0.904 0.941 0.824 N 1.289 18 residues pruned to eliminate duplicates Z: 7 6.984 1.615 0.262 0.745 1.000 0.500 CA 1.124 7 residues pruned to eliminate duplicates Z: 9 11.702 1.552 0.909 0.902 0.875 0.625 CA 1.138 5 residues pruned to eliminate duplicates Z: 12 6.753 1.750 0.212 0.454 0.909 0.636 CB 1.107 6 residues pruned to eliminate duplicates Z: 14 26.465 1.926 0.995 0.925 1.000 0.846 CB 1.341 15 residues pruned to eliminate duplicates Z: 17 20.977 1.864 0.539 0.939 1.000 0.938 CA 1.270 17 residues pruned to eliminate duplicates Z: 10 13.626 1.762 0.849 0.846 1.000 0.667 CB 1.036 Z: 11 14.912 1.932 0.572 0.818 1.000 0.700 CA 1.178 11 residues pruned to eliminate duplicates Z: 7 5.368 1.462 0.383 0.840 0.833 0.833 CA 0.971 Z: 9 7.785 1.521 0.861 0.787 0.875 0.500 CB 0.863 Z: 9 8.923 1.767 0.150 0.848 0.875 0.875 CB 1.316 9 residues pruned to eliminate duplicates Z: 7 6.692 1.725 0.521 0.537 0.667 0.500 CA 1.506 Z: 9 11.857 1.651 0.728 0.883 1.000 1.000 CB 1.062 7 residues pruned to eliminate duplicates Z: 17 24.920 1.895 0.929 0.905 0.938 0.625 CA 1.294 17 residues pruned to eliminate duplicates Z: 11 7.502 1.493 0.777 0.364 0.900 0.500 CA 1.150 9 residues pruned to eliminate duplicates Z: 10 8.657 1.556 0.589 0.828 0.778 0.667 CB 1.129 10 residues pruned to eliminate duplicates Z: 7 4.374 1.785 -0.133 0.542 0.833 0.500 CB 1.329 Z: 6 2.948 1.639 0.453 0.465 0.800 0.600 CB 0.717 Z: 6 6.142 1.839 0.113 0.563 1.000 0.400 N 1.262 11 residues pruned to eliminate duplicates 6 0.639 1.598 0.339 0.588 0.800 0.800 CB 0.153 ? Z: 17 12.658 1.641 0.517 0.705 0.875 0.750 CB 1.206 17 residues pruned to eliminate duplicates Z: 13 22.891 1.995 0.840 0.885 1.000 0.750 CA 1.300 13 residues pruned to eliminate duplicates Z: 7 3.014 1.636 0.021 0.291 0.833 0.500 CB 1.118 7 residues pruned to eliminate duplicates Z: 26 13.205 1.772 0.275 0.470 0.960 0.600 CB 1.254 26 residues pruned to eliminate duplicates Z: 9 10.691 1.730 0.370 0.885 1.000 0.875 CB 1.151 9 residues pruned to eliminate duplicates Z: 15 19.434 1.857 0.504 0.882 0.929 0.786 CA 1.449 15 residues pruned to eliminate duplicates Z: 8 15.195 1.945 0.392 0.857 1.000 0.714 CB 1.562 Z: 10 11.904 1.827 0.632 0.865 0.778 0.778 CB 1.254 10 residues pruned to eliminate duplicates Z: 15 22.466 1.897 0.666 0.888 1.000 0.857 CB 1.369 15 residues pruned to eliminate duplicates Z: 7 8.423 1.714 0.284 0.799 1.000 0.667 CA 1.203 7 residues pruned to eliminate duplicates Z: 18 17.635 1.924 0.593 0.791 0.882 0.412 CB 1.225 18 residues pruned to eliminate duplicates Z: 11 13.974 1.713 0.637 0.925 1.000 0.800 CB 1.106 11 residues pruned to eliminate duplicates Z: 9 2.992 1.708 0.189 0.267 0.875 0.500 CB 0.776 9 residues pruned to eliminate duplicates Z: 13 14.423 1.737 0.514 0.896 1.000 0.750 CB 1.134 13 residues pruned to eliminate duplicates Z: 18 21.508 1.881 0.606 0.801 1.000 0.588 CA 1.327 18 residues pruned to eliminate duplicates Z: 6 7.348 1.716 0.094 0.754 1.000 1.000 CB 1.397 Z: 10 8.841 1.804 0.337 0.540 0.889 0.556 CB 1.322 10 residues pruned to eliminate duplicates Z: 18 16.897 1.775 0.537 0.775 0.941 0.647 CB 1.252 18 residues pruned to eliminate duplicates Z: 9 8.605 1.788 0.562 0.876 0.875 0.875 CB 0.904 9 residues pruned to eliminate duplicates Z: 8 4.752 1.595 0.196 0.704 0.714 0.571 CA 1.095 8 residues pruned to eliminate duplicates Z: 6 8.849 1.891 0.373 0.630 1.000 0.800 CB 1.349 Z: 10 16.454 1.701 1.055 0.803 1.000 0.556 CB 1.205 11 residues pruned to eliminate duplicates Z: 8 2.553 1.737 0.104 0.413 1.000 0.714 CB 0.551 Z: 12 11.174 1.811 0.636 0.455 1.000 0.636 CB 1.191 Z: 19 21.062 1.758 0.700 0.849 0.944 0.778 CA 1.303 19 residues pruned to eliminate duplicates Z: 13 9.883 1.832 0.303 0.733 0.917 0.500 CB 1.058 13 residues pruned to eliminate duplicates Z: 28 14.438 1.767 0.412 0.416 0.889 0.556 CB 1.369 28 residues pruned to eliminate duplicates Z: 7 4.381 1.702 0.024 0.432 0.833 0.500 O 1.322 5 residues pruned to eliminate duplicates Z: 11 6.696 1.530 0.597 0.326 1.000 0.600 CB 1.050 Z: 9 9.635 1.704 0.403 0.886 1.000 0.750 CB 1.028 9 residues pruned to eliminate duplicates Z: 18 26.030 1.763 0.981 0.872 0.941 0.706 N 1.399 18 residues pruned to eliminate duplicates Z: 14 8.721 1.674 0.356 0.494 0.923 0.769 CB 1.161 10 residues pruned to eliminate duplicates Z: 8 10.017 1.710 0.229 0.840 1.000 0.714 CB 1.344 8 residues pruned to eliminate duplicates Z: 9 14.215 1.840 0.590 0.895 1.000 0.875 CB 1.232 12 residues pruned to eliminate duplicates Z: 11 4.278 1.590 0.019 0.806 0.800 0.700 CB 0.799 Z: 14 7.659 1.750 0.336 0.291 0.923 0.538 CB 1.243 14 residues pruned to eliminate duplicates Z: 54 22.367 1.831 0.481 0.513 0.906 0.566 CB 1.235 54 residues pruned to eliminate duplicates Z: 18 16.082 1.785 0.470 0.602 1.000 0.471 CA 1.350 9 residues pruned to eliminate duplicates Z: 11 10.298 1.895 0.376 0.598 0.900 0.600 CB 1.265 11 residues pruned to eliminate duplicates Z: 8 8.714 1.681 0.366 0.698 1.000 0.571 CA 1.197 8 residues pruned to eliminate duplicates Z: 25 14.598 1.748 0.547 0.519 0.792 0.458 CB 1.367 25 residues pruned to eliminate duplicates Z: 13 7.477 1.649 0.199 0.418 0.917 0.667 CB 1.297 Z: 16 9.748 1.955 0.505 0.395 1.000 0.600 CB 0.956 16 residues pruned to eliminate duplicates Z: 30 13.289 1.877 0.341 0.398 0.862 0.621 CB 1.267 30 residues pruned to eliminate duplicates Z: 72 26.434 1.830 0.456 0.477 0.915 0.606 CB 1.317 80 residues pruned to eliminate duplicates Z: 7 15.080 1.899 0.704 0.891 1.000 0.833 CA 1.368 7 residues pruned to eliminate duplicates Z: 13 9.210 1.860 0.415 0.390 0.833 0.417 CB 1.362 13 residues pruned to eliminate duplicates Z: 19 17.384 1.868 0.381 0.786 1.000 0.833 CB 1.235 19 residues pruned to eliminate duplicates Z: 18 16.913 1.907 0.324 0.830 1.000 0.824 CA 1.222 18 residues pruned to eliminate duplicates Z: 9 8.027 1.743 0.438 0.898 0.875 0.625 CB 0.926 9 residues pruned to eliminate duplicates Z: 6 12.281 1.977 0.500 0.833 1.000 0.800 CB 1.389 6 residues pruned to eliminate duplicates Z: 20 18.547 1.962 0.674 0.528 0.895 0.684 CA 1.409 20 residues pruned to eliminate duplicates Z: 8 4.329 1.514 0.484 0.542 0.857 0.571 CB 0.815 Z: 7 6.468 1.686 0.093 0.857 1.000 0.833 CA 1.056 7 residues pruned to eliminate duplicates Z: 14 13.998 1.916 0.264 0.883 0.923 0.692 CB 1.255 14 residues pruned to eliminate duplicates Z: 11 7.088 1.566 0.654 0.410 0.900 0.700 CB 1.057 Z: 12 6.314 1.562 0.288 0.565 0.909 0.636 CB 0.978 12 residues pruned to eliminate duplicates Z: 16 7.543 1.765 0.435 0.491 0.800 0.600 CB 0.970 16 residues pruned to eliminate duplicates Z: 12 4.079 1.712 0.183 0.255 0.727 0.455 CB 1.105 12 residues pruned to eliminate duplicates Z: 14 5.923 1.588 0.246 0.311 0.846 0.538 N 1.209 14 residues pruned to eliminate duplicates Z: 14 13.339 1.862 0.509 0.920 0.923 0.923 CB 1.005 14 residues pruned to eliminate duplicates Z: 14 14.642 1.951 0.456 0.605 0.923 0.308 CB 1.401 9 residues pruned to eliminate duplicates Z: 11 13.830 1.713 0.581 0.865 1.000 0.700 CB 1.183 11 residues pruned to eliminate duplicates Z: 15 18.145 1.790 0.676 0.866 0.929 0.786 CB 1.274 15 residues pruned to eliminate duplicates Z: 9 9.837 1.566 0.585 0.886 0.875 0.625 N 1.155 Z: 11 19.391 1.881 0.873 0.895 0.900 0.900 CA 1.386 11 residues pruned to eliminate duplicates Z: 7 6.228 1.673 0.636 0.402 0.833 0.833 CB 1.236 Z: 6 5.043 1.577 0.481 0.806 1.000 0.400 CB 0.739 6 residues pruned to eliminate duplicates Z: 12 5.225 1.724 0.133 0.345 0.727 0.545 N 1.312 11 residues pruned to eliminate duplicates Z: 10 7.459 1.614 0.566 0.439 0.889 0.556 CA 1.178 6 residues pruned to eliminate duplicates Z: 8 6.245 1.440 0.330 0.630 1.000 0.571 CB 1.090 Z: 13 21.721 1.977 0.672 0.909 1.000 0.917 CB 1.346 13 residues pruned to eliminate duplicates Z: 16 23.725 1.945 0.691 0.918 1.000 0.867 CA 1.314 16 residues pruned to eliminate duplicates Z: 10 6.500 1.733 0.321 0.417 0.778 0.222 CB 1.328 8 residues pruned to eliminate duplicates Z: 7 2.468 1.479 0.288 0.208 0.667 0.667 CB 1.121 Z: 25 10.030 1.624 0.361 0.390 0.875 0.500 CB 1.189 40 residues pruned to eliminate duplicates Z: 9 7.451 1.702 0.320 0.827 1.000 0.625 CB 0.884 11 residues pruned to eliminate duplicates Z: 7 7.207 1.711 0.466 0.823 0.667 0.333 CA 1.330 7 residues pruned to eliminate duplicates Z: 23 15.242 1.657 0.586 0.621 0.909 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 14 20.797 1.884 0.654 0.869 0.923 0.538 CA 1.465 14 residues pruned to eliminate duplicates Z: 18 16.178 1.830 0.423 0.813 0.941 0.706 CA 1.219 18 residues pruned to eliminate duplicates Z: 14 16.032 1.846 0.636 0.785 1.000 0.692 CB 1.146 13 residues pruned to eliminate duplicates Z: 16 15.139 1.810 0.458 0.830 0.933 0.733 CA 1.193 16 residues pruned to eliminate duplicates Z: 26 14.897 1.851 0.428 0.445 0.880 0.480 CB 1.356 26 residues pruned to eliminate duplicates Z: 9 6.410 1.861 0.081 0.661 0.875 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 16 25.415 1.998 0.826 0.903 1.000 0.733 CA 1.282 16 residues pruned to eliminate duplicates Z: 6 6.950 1.671 0.324 0.763 0.800 0.400 N 1.391 Z: 12 15.292 1.725 0.533 0.848 1.000 0.636 CB 1.294 12 residues pruned to eliminate duplicates Z: 24 11.169 1.674 0.384 0.583 0.913 0.609 CB 1.016 24 residues pruned to eliminate duplicates Z: 10 11.562 1.664 0.552 0.686 0.889 0.222 N 1.415 9 residues pruned to eliminate duplicates Z: 14 16.322 1.791 0.254 0.924 1.000 0.923 CA 1.416 14 residues pruned to eliminate duplicates Z: 9 9.555 1.588 0.402 0.755 1.000 0.625 N 1.210 9 residues pruned to eliminate duplicates Z: 15 31.413 1.985 0.790 0.919 1.000 0.571 CB 1.665 15 residues pruned to eliminate duplicates Z: 11 7.740 1.538 0.531 0.789 0.900 0.800 CB 0.896 9 residues pruned to eliminate duplicates Z: 8 7.275 1.579 0.532 0.842 0.857 0.571 CB 0.989 8 residues pruned to eliminate duplicates Z: 17 13.967 1.765 0.571 0.419 1.000 0.500 CB 1.371 20 residues pruned to eliminate duplicates Z: 6 3.275 1.512 0.539 0.402 0.800 0.800 CB 0.872 Z: 15 7.930 1.603 0.516 0.403 0.857 0.429 CB 1.126 15 residues pruned to eliminate duplicates Z: 31 19.281 1.914 0.550 0.549 0.867 0.633 CB 1.305 32 residues pruned to eliminate duplicates Z: 14 8.165 1.747 0.437 0.404 0.923 0.538 CB 1.081 14 residues pruned to eliminate duplicates Z: 16 18.202 1.885 0.457 0.782 1.000 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 13 16.641 1.881 0.705 0.799 0.917 0.750 CA 1.258 13 residues pruned to eliminate duplicates Z: 16 15.047 1.955 0.294 0.845 1.000 0.867 CA 1.141 16 residues pruned to eliminate duplicates Z: 13 12.731 1.854 0.391 0.863 0.833 0.583 CB 1.255 13 residues pruned to eliminate duplicates Z: 19 15.256 1.772 0.673 0.706 0.889 0.556 CB 1.131 19 residues pruned to eliminate duplicates Z: 11 11.579 1.820 0.409 0.874 1.000 0.800 CB 1.039 11 residues pruned to eliminate duplicates Z: 14 21.664 2.004 0.353 0.919 1.000 0.846 CA 1.562 14 residues pruned to eliminate duplicates Z: 8 6.629 1.820 0.479 0.896 1.000 0.714 CB 0.667 8 residues pruned to eliminate duplicates Z: 14 8.672 1.788 0.303 0.472 0.923 0.769 CB 1.151 14 residues pruned to eliminate duplicates Z: 20 9.563 1.722 0.316 0.525 0.789 0.474 CB 1.196 15 residues pruned to eliminate duplicates Z: 20 17.652 1.854 0.481 0.764 0.947 0.737 CB 1.232 15 residues pruned to eliminate duplicates Z: 10 15.433 1.797 0.854 0.885 1.000 0.778 CB 1.115 10 residues pruned to eliminate duplicates Z: 23 18.449 1.821 0.496 0.765 0.955 0.682 CB 1.195 23 residues pruned to eliminate duplicates 6 1.431 1.310 0.380 0.229 0.600 0.400 O 0.809 ? Z: 12 6.105 1.701 0.152 0.440 1.000 0.455 CB 0.999 12 residues pruned to eliminate duplicates Z: 29 12.333 1.706 0.471 0.385 0.857 0.536 CB 1.224 29 residues pruned to eliminate duplicates Z: 8 8.926 1.670 0.414 0.629 1.000 0.429 CA 1.265 8 residues pruned to eliminate duplicates Z: 43 17.775 1.795 0.358 0.516 0.881 0.643 CB 1.257 51 residues pruned to eliminate duplicates Z: 10 2.502 1.415 0.314 0.293 0.667 0.444 CB 0.848 Z: 8 6.279 1.598 0.499 0.747 0.714 0.571 N 1.112 Z: 10 11.776 1.837 0.611 0.911 1.000 1.000 CB 0.940 10 residues pruned to eliminate duplicates Z: 16 15.649 1.767 0.710 0.854 0.933 0.533 CB 1.059 21 residues pruned to eliminate duplicates Z: 13 19.240 1.932 0.575 0.917 0.917 0.917 CB 1.405 13 residues pruned to eliminate duplicates Z: 7 2.002 1.407 0.737 0.246 0.667 0.500 CB 0.672 Z: 7 10.220 1.518 1.035 0.870 1.000 0.500 CB 0.986 7 residues pruned to eliminate duplicates Z: 48 28.163 1.930 0.544 0.579 0.894 0.660 CB 1.429 48 residues pruned to eliminate duplicates Z: 9 6.645 1.739 0.260 0.478 0.750 0.625 CB 1.463 Z: 12 8.759 1.622 0.271 0.796 0.909 0.545 CB 1.087 12 residues pruned to eliminate duplicates Z: 9 12.340 1.971 0.457 0.903 0.875 0.875 CB 1.238 9 residues pruned to eliminate duplicates Z: 17 18.254 1.867 0.298 0.915 1.000 0.938 CA 1.331 17 residues pruned to eliminate duplicates Z: 11 12.512 1.967 0.250 0.887 1.000 0.800 CB 1.160 11 residues pruned to eliminate duplicates Z: 11 3.299 1.420 0.479 0.272 0.900 0.400 CB 0.715 11 residues pruned to eliminate duplicates Z: 6 7.626 1.738 0.131 0.867 1.000 1.000 CB 1.269 6 residues pruned to eliminate duplicates Z: 19 9.606 1.860 0.437 0.422 0.778 0.556 CA 1.182 21 residues pruned to eliminate duplicates Z: 28 16.673 1.816 0.739 0.426 0.889 0.667 CA 1.234 25 residues pruned to eliminate duplicates Z: 16 27.264 1.928 0.823 0.892 1.000 0.800 CA 1.439 16 residues pruned to eliminate duplicates Z: 14 8.409 1.744 0.200 0.394 0.923 0.538 CB 1.351 14 residues pruned to eliminate duplicates Z: 9 8.593 1.716 0.078 0.919 1.000 1.000 CB 1.157 9 residues pruned to eliminate duplicates Z: 6 6.270 1.464 0.759 0.703 1.000 0.800 CB 0.905 6 residues pruned to eliminate duplicates Z: 16 23.299 1.852 0.822 0.850 0.933 0.533 N 1.415 16 residues pruned to eliminate duplicates Z: 7 2.818 1.642 0.402 0.243 0.833 0.667 CB 0.807 Z: 6 4.939 1.268 0.576 0.773 1.000 0.400 CA 0.868 Z: 16 21.381 1.802 0.876 0.872 0.933 0.667 CB 1.276 16 residues pruned to eliminate duplicates Z: 13 11.123 1.723 0.539 0.515 1.000 0.750 CB 1.193 12 residues pruned to eliminate duplicates Z: 6 2.393 1.304 -0.067 0.606 1.000 0.600 N 0.795 Z: 34 18.686 1.868 0.500 0.499 0.909 0.515 CB 1.278 34 residues pruned to eliminate duplicates Z: 9 15.967 1.727 0.619 0.883 1.000 0.500 CB 1.460 9 residues pruned to eliminate duplicates Z: 18 18.207 1.826 0.637 0.795 0.941 0.765 CB 1.212 18 residues pruned to eliminate duplicates Z: 6 3.763 1.631 0.152 0.506 0.800 0.600 CB 1.113 Z: 36 22.755 1.893 0.545 0.574 0.914 0.657 CB 1.339 36 residues pruned to eliminate duplicates Z: 7 4.902 1.574 0.772 0.448 0.667 0.333 CA 1.136 Z: 16 21.168 1.765 0.947 0.857 0.933 0.733 CB 1.256 16 residues pruned to eliminate duplicates Z: 6 6.814 1.502 0.271 0.813 1.000 0.800 CA 1.215 6 residues pruned to eliminate duplicates Z: 22 20.163 1.889 0.608 0.738 0.857 0.667 CB 1.365 22 residues pruned to eliminate duplicates Z: 6 4.730 1.621 0.844 0.491 0.800 0.600 CB 0.893 Z: 17 9.066 1.735 0.347 0.538 0.875 0.500 CB 1.067 17 residues pruned to eliminate duplicates Z: 7 3.830 1.659 0.140 0.534 0.667 0.667 CB 1.199 Z: 6 11.820 1.707 1.340 0.844 0.800 0.400 N 1.231 6 residues pruned to eliminate duplicates Z: 10 4.810 1.686 0.481 0.243 0.889 0.333 CB 0.971 10 residues pruned to eliminate duplicates Z: 9 4.193 1.714 0.239 0.641 1.000 0.500 CB 0.612 9 residues pruned to eliminate duplicates Z: 17 20.295 2.071 0.389 0.831 0.875 0.812 CA 1.515 17 residues pruned to eliminate duplicates Z: 6 3.666 1.516 0.411 0.448 0.800 0.600 CB 1.011 4 residues pruned to eliminate duplicates Z: 17 17.607 1.933 0.538 0.816 0.938 0.812 CA 1.200 17 residues pruned to eliminate duplicates Z: 17 15.446 1.806 0.432 0.834 0.875 0.812 CA 1.280 17 residues pruned to eliminate duplicates Z: 6 3.083 1.586 0.176 0.449 0.800 0.600 CB 0.974 Z: 15 13.644 1.704 0.754 0.898 0.929 0.500 CB 0.940 15 residues pruned to eliminate duplicates Z: 6 3.434 1.673 0.259 0.440 0.800 0.600 CB 0.970 6 residues pruned to eliminate duplicates Z: 17 19.344 1.871 0.420 0.915 0.938 0.812 CA 1.373 17 residues pruned to eliminate duplicates Z: 36 20.730 1.873 0.552 0.565 0.857 0.486 CB 1.321 34 residues pruned to eliminate duplicates Z: 11 10.091 1.590 0.486 0.870 1.000 0.700 CA 0.986 7 residues pruned to eliminate duplicates Z: 10 10.098 1.922 0.361 0.796 0.889 0.778 CB 1.117 10 residues pruned to eliminate duplicates Z: 7 3.477 1.317 0.312 0.520 0.833 0.833 CB 0.966 Z: 12 11.079 1.713 0.674 0.817 0.909 0.727 CB 0.973 12 residues pruned to eliminate duplicates Z: 23 12.663 1.782 0.274 0.525 0.864 0.682 CA 1.343 23 residues pruned to eliminate duplicates Z: 13 8.393 1.719 0.214 0.431 1.000 0.750 N 1.247 14 residues pruned to eliminate duplicates Z: 17 19.552 1.782 0.420 0.833 1.000 0.875 CA 1.448 17 residues pruned to eliminate duplicates Z: 11 11.544 1.736 0.497 0.557 1.000 0.800 CA 1.329 11 residues pruned to eliminate duplicates Z: 14 4.875 1.502 0.496 0.464 0.923 0.385 CB 0.676 Z: 8 13.114 1.662 1.100 0.913 1.000 0.857 CA 1.005 8 residues pruned to eliminate duplicates Z: 22 8.742 1.750 0.326 0.357 0.857 0.619 CB 1.118 20 residues pruned to eliminate duplicates Z: 23 10.353 1.844 0.406 0.365 0.773 0.455 CB 1.273 23 residues pruned to eliminate duplicates Z: 14 16.841 1.825 0.591 0.840 1.000 0.769 CB 1.200 14 residues pruned to eliminate duplicates Z: 15 21.731 1.871 0.986 0.922 0.929 0.714 CB 1.184 15 residues pruned to eliminate duplicates Z: 17 11.264 1.815 0.577 0.420 0.875 0.438 CB 1.222 17 residues pruned to eliminate duplicates Z: 7 7.741 1.782 0.591 0.320 0.833 0.500 CB 1.632 6 1.174 1.095 0.449 0.297 0.800 0.400 CB 0.519 ? Z: 11 15.926 1.799 0.479 0.827 1.000 0.700 CB 1.427 11 residues pruned to eliminate duplicates Z: 9 3.870 1.734 -0.127 0.457 0.875 0.625 CB 1.079 3 residues pruned to eliminate duplicates Z: 33 18.939 1.812 0.382 0.617 0.906 0.594 CB 1.320 33 residues pruned to eliminate duplicates Z: 27 16.255 1.779 0.405 0.469 0.962 0.692 CB 1.369 27 residues pruned to eliminate duplicates Z: 16 20.414 1.831 0.505 0.896 1.000 0.800 CB 1.370 16 residues pruned to eliminate duplicates Z: 13 12.598 1.906 0.082 0.926 1.000 0.917 CB 1.236 13 residues pruned to eliminate duplicates Z: 6 3.539 1.464 0.226 0.369 0.800 0.600 N 1.268 Z: 12 11.352 1.885 0.154 0.734 1.000 0.727 CB 1.274 12 residues pruned to eliminate duplicates Z: 33 23.048 1.906 0.556 0.578 0.969 0.688 CB 1.316 40 residues pruned to eliminate duplicates Z: 12 10.497 1.575 0.350 0.836 1.000 0.636 CB 1.114 14 residues pruned to eliminate duplicates Z: 17 27.091 1.870 0.859 0.921 1.000 0.875 CB 1.371 17 residues pruned to eliminate duplicates Z: 7 7.517 1.928 0.068 0.601 1.000 0.500 CB 1.354 Z: 10 9.372 1.537 0.864 0.814 0.889 0.444 CB 0.933 10 residues pruned to eliminate duplicates Z: 10 9.173 1.634 0.642 0.856 1.000 1.000 CB 0.840 10 residues pruned to eliminate duplicates Z: 15 15.268 1.793 0.164 0.910 1.000 1.000 CA 1.387 15 residues pruned to eliminate duplicates Z: 9 4.346 1.658 0.060 0.508 0.750 0.500 O 1.156 Z: 10 12.639 1.842 0.403 0.816 1.000 0.556 CB 1.238 10 residues pruned to eliminate duplicates Z: 6 7.433 1.379 1.015 0.828 1.000 0.800 CA 0.900 Z: 6 4.997 1.526 0.088 0.821 1.000 0.600 CA 1.020 6 residues pruned to eliminate duplicates Z: 8 5.561 1.678 0.449 0.430 0.714 0.429 CB 1.301 8 residues pruned to eliminate duplicates Z: 8 4.032 1.436 0.160 0.811 1.000 0.571 CB 0.698 Z: 9 8.791 1.791 0.416 0.563 0.875 0.750 CB 1.317 9 residues pruned to eliminate duplicates Z: 13 12.527 1.776 0.551 0.712 0.833 0.750 CB 1.300 13 residues pruned to eliminate duplicates Z: 8 7.601 1.550 0.510 0.800 0.857 0.714 CA 1.101 15 residues pruned to eliminate duplicates Z: 9 11.019 1.855 0.797 0.525 0.875 0.875 CB 1.303 9 residues pruned to eliminate duplicates Z: 15 16.972 1.894 0.266 0.927 1.000 1.000 CB 1.325 15 residues pruned to eliminate duplicates Z: 11 13.837 1.783 0.619 0.906 1.000 0.700 CB 1.078 11 residues pruned to eliminate duplicates Z: 7 6.970 1.613 0.638 0.635 0.833 0.833 CB 1.138 Z: 10 14.848 1.713 0.789 0.884 1.000 0.556 CB 1.167 10 residues pruned to eliminate duplicates Z: 9 3.033 1.448 0.526 0.795 0.875 0.625 CB 0.428 Z: 6 5.232 1.713 0.197 0.457 0.800 0.600 O 1.491 Z: 16 17.247 1.742 0.662 0.898 1.000 0.867 CA 1.100 16 residues pruned to eliminate duplicates Z: 14 16.641 1.814 0.233 0.899 1.000 1.000 CA 1.475 14 residues pruned to eliminate duplicates Z: 52 27.600 1.889 0.560 0.620 0.922 0.745 CB 1.271 44 residues pruned to eliminate duplicates Z: 17 22.992 1.798 0.870 0.897 0.875 0.688 CA 1.398 17 residues pruned to eliminate duplicates Z: 14 16.593 1.961 0.438 0.832 0.923 0.692 CB 1.327 14 residues pruned to eliminate duplicates Z: 8 10.698 1.561 0.580 0.847 1.000 0.857 CB 1.217 8 residues pruned to eliminate duplicates Z: 12 7.769 1.811 0.162 0.428 1.000 0.636 CB 1.200 12 residues pruned to eliminate duplicates Z: 12 5.506 1.740 0.264 0.405 0.909 0.545 CB 0.918 12 residues pruned to eliminate duplicates Z: 17 26.925 1.832 1.027 0.875 0.938 0.750 N 1.406 17 residues pruned to eliminate duplicates Z: 11 3.218 1.663 0.311 0.246 0.700 0.200 CB 0.893 Z: 30 20.049 1.925 0.556 0.521 0.931 0.586 CB 1.307 31 residues pruned to eliminate duplicates Z: 7 10.158 1.511 1.043 0.812 0.833 0.833 N 1.229 7 residues pruned to eliminate duplicates Z: 15 15.467 1.795 0.740 0.866 0.857 0.571 CB 1.130 15 residues pruned to eliminate duplicates Z: 16 20.944 1.978 0.533 0.911 1.000 0.600 CA 1.264 16 residues pruned to eliminate duplicates Z: 10 5.995 1.690 0.415 0.414 1.000 0.667 CB 0.915 10 residues pruned to eliminate duplicates Z: 8 4.980 1.197 0.476 0.709 1.000 1.000 O 0.882 8 residues pruned to eliminate duplicates Z: 11 9.384 1.746 0.398 0.553 1.000 0.800 CB 1.155 11 residues pruned to eliminate duplicates Z: 10 13.592 1.760 0.496 0.828 1.000 0.889 CB 1.296 10 residues pruned to eliminate duplicates Z: 8 8.007 1.604 0.262 0.860 1.000 0.571 CA 1.099 8 residues pruned to eliminate duplicates Z: 6 2.271 1.621 0.702 0.451 1.000 0.800 CB 0.387 6 residues pruned to eliminate duplicates Z: 12 11.196 1.696 0.496 0.884 1.000 0.818 CB 0.961 12 residues pruned to eliminate duplicates Z: 14 12.279 1.761 0.541 0.613 0.846 0.538 CA 1.333 14 residues pruned to eliminate duplicates Z: 11 9.042 1.600 0.355 0.851 0.900 0.800 CB 1.084 11 residues pruned to eliminate duplicates Z: 11 13.180 1.636 0.605 0.887 1.000 0.800 CB 1.144 10 residues pruned to eliminate duplicates Z: 12 12.160 1.523 0.649 0.874 1.000 0.727 CB 1.062 11 residues pruned to eliminate duplicates Z: 11 10.178 1.590 0.847 0.652 1.000 0.600 CA 0.952 11 residues pruned to eliminate duplicates Z: 12 6.421 1.628 0.195 0.471 0.818 0.364 CA 1.252 9 residues pruned to eliminate duplicates Z: 14 7.824 1.752 0.484 0.441 0.769 0.615 CA 1.153 14 residues pruned to eliminate duplicates Z: 18 24.295 1.744 0.963 0.925 1.000 0.824 CB 1.207 18 residues pruned to eliminate duplicates Z: 10 6.413 1.771 0.166 0.688 1.000 0.667 CA 0.871 10 residues pruned to eliminate duplicates Z: 31 22.396 1.921 0.402 0.548 1.000 0.700 CB 1.450 31 residues pruned to eliminate duplicates Z: 6 5.690 1.555 0.137 0.780 1.000 0.600 CB 1.124 Z: 8 5.474 1.584 0.435 0.491 1.000 0.857 CB 0.918 Z: 6 2.146 1.544 -0.073 0.431 0.800 0.600 CB 0.901 Z: 44 19.484 1.842 0.463 0.372 0.930 0.535 CB 1.359 44 residues pruned to eliminate duplicates Z: 10 5.846 1.634 0.328 0.338 0.778 0.444 CB 1.378 Z: 11 3.454 1.350 0.286 0.298 0.900 0.400 CB 0.876 11 residues pruned to eliminate duplicates Z: 52 23.326 1.908 0.461 0.554 0.922 0.608 CB 1.206 52 residues pruned to eliminate duplicates Z: 15 5.677 1.639 0.464 0.407 0.857 0.357 CB 0.814 11 residues pruned to eliminate duplicates Z: 10 7.403 1.630 0.446 0.685 0.778 0.556 CB 1.136 10 residues pruned to eliminate duplicates Z: 9 5.440 1.757 0.095 0.265 1.000 0.875 CB 1.307 7 residues pruned to eliminate duplicates Z: 9 3.743 1.425 0.114 0.515 0.875 0.375 CB 0.939 9 residues pruned to eliminate duplicates Z: 6 2.558 1.363 0.557 0.853 0.800 0.600 CB 0.498 6 residues pruned to eliminate duplicates Z: 7 6.943 1.805 0.593 0.860 0.833 0.500 CB 0.870 7 residues pruned to eliminate duplicates Z: 13 5.946 1.567 0.236 0.404 0.917 0.833 CB 1.069 13 residues pruned to eliminate duplicates Z: 13 10.567 1.620 0.446 0.814 1.000 0.917 CB 0.990 11 residues pruned to eliminate duplicates Z: 11 6.843 1.578 0.297 0.502 1.000 0.900 CA 1.055 19 residues pruned to eliminate duplicates Z: 6 9.936 1.851 0.351 0.817 1.000 1.000 CB 1.350 6 residues pruned to eliminate duplicates Z: 18 22.189 1.792 0.722 0.839 1.000 0.824 CA 1.303 18 residues pruned to eliminate duplicates Z: 15 16.332 1.776 0.286 0.943 1.000 0.929 CA 1.324 15 residues pruned to eliminate duplicates Z: 15 14.464 1.817 0.188 0.906 1.000 1.000 CA 1.274 15 residues pruned to eliminate duplicates Z: 29 21.618 1.928 0.552 0.521 0.929 0.679 CB 1.440 29 residues pruned to eliminate duplicates Z: 36 14.577 1.827 0.405 0.455 0.857 0.629 CB 1.173 36 residues pruned to eliminate duplicates Z: 18 25.576 1.723 1.195 0.926 0.941 0.765 CB 1.222 18 residues pruned to eliminate duplicates Z: 8 3.172 1.368 0.711 0.355 0.714 0.429 CB 0.839 Z: 17 6.860 1.561 0.487 0.332 0.812 0.500 CB 1.092 17 residues pruned to eliminate duplicates Z: 15 6.685 1.756 0.112 0.593 0.857 0.643 CB 0.976 15 residues pruned to eliminate duplicates Z: 6 3.732 1.604 0.611 0.819 0.600 0.600 CB 0.816 6 residues pruned to eliminate duplicates Z: 9 4.803 1.514 0.309 0.812 1.000 1.000 CB 0.653 Z: 7 4.344 1.474 0.486 0.526 0.833 0.333 CB 0.947 Z: 7 3.812 1.463 0.272 0.392 1.000 0.500 CB 0.937 Z: 9 6.678 1.635 0.613 0.462 0.875 0.625 CB 1.063 9 residues pruned to eliminate duplicates Z: 11 5.404 1.359 0.511 0.264 0.900 0.500 CB 1.211 Z: 10 12.469 1.726 0.382 0.814 1.000 0.556 CB 1.326 10 residues pruned to eliminate duplicates 6 0.588 1.586 0.077 0.100 0.600 0.200 CB 0.428 ? Z: 23 22.583 1.850 0.851 0.670 0.909 0.773 CB 1.321 16 residues pruned to eliminate duplicates Z: 12 16.153 1.807 0.397 0.911 1.000 0.909 CB 1.368 12 residues pruned to eliminate duplicates Z: 9 8.130 1.564 0.362 0.868 0.875 0.750 CA 1.127 8 residues pruned to eliminate duplicates Z: 6 7.022 1.510 0.702 0.788 1.000 0.600 CA 0.949 6 residues pruned to eliminate duplicates Z: 11 4.461 1.603 0.414 0.379 0.600 0.500 N 1.180 Z: 17 15.336 1.758 0.449 0.812 1.000 0.812 CA 1.147 17 residues pruned to eliminate duplicates Z: 20 8.423 1.745 0.383 0.432 0.842 0.632 CB 1.020 13 residues pruned to eliminate duplicates Z: 16 23.337 2.060 0.657 0.817 0.867 0.667 CB 1.546 16 residues pruned to eliminate duplicates Z: 6 4.292 1.437 0.694 0.589 1.000 0.400 CB 0.724 Z: 10 11.344 1.756 0.400 0.899 1.000 0.778 CB 1.100 10 residues pruned to eliminate duplicates Z: 7 5.742 1.655 0.730 0.517 0.667 0.500 CB 1.208 Z: 14 25.185 1.892 0.886 0.942 1.000 0.692 N 1.358 14 residues pruned to eliminate duplicates Z: 10 5.753 1.505 0.535 0.370 0.889 0.556 CA 1.074 10 residues pruned to eliminate duplicates Z: 13 24.795 2.014 0.763 0.894 1.000 0.667 CB 1.446 13 residues pruned to eliminate duplicates Z: 8 2.153 1.315 0.249 0.153 0.857 0.429 O 0.885 Z: 8 4.867 1.802 0.608 0.260 0.857 0.286 CB 0.975 8 residues pruned to eliminate duplicates Z: 7 6.641 1.519 0.207 0.602 1.000 0.833 O 1.341 Z: 13 8.551 1.670 0.376 0.419 1.000 0.667 CB 1.169 13 residues pruned to eliminate duplicates Z: 10 8.891 1.654 0.611 0.846 0.889 0.667 CB 0.929 10 residues pruned to eliminate duplicates Z: 12 4.656 1.561 0.139 0.343 0.818 0.273 CB 1.145 11 residues pruned to eliminate duplicates Z: 22 8.644 1.625 0.463 0.304 0.905 0.429 CB 1.090 21 residues pruned to eliminate duplicates Z: 11 10.328 1.587 0.633 0.832 0.800 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 10 8.661 1.701 0.274 0.885 1.000 0.889 CB 0.962 10 residues pruned to eliminate duplicates Z: 15 12.343 1.759 0.627 0.494 0.929 0.714 CA 1.249 15 residues pruned to eliminate duplicates Z: 40 24.859 1.832 0.690 0.528 0.974 0.538 CB 1.283 40 residues pruned to eliminate duplicates Z: 9 4.736 1.582 0.448 0.325 0.750 0.375 CB 1.182 Z: 6 3.845 1.829 -0.093 0.573 0.800 0.600 CB 1.208 Z: 10 7.233 1.739 0.276 0.772 1.000 0.778 CB 0.854 10 residues pruned to eliminate duplicates Z: 8 3.721 1.453 0.523 0.490 0.857 0.714 CB 0.748 8 residues pruned to eliminate duplicates Z: 16 14.728 1.795 0.345 0.815 0.933 0.600 CB 1.283 16 residues pruned to eliminate duplicates Z: 7 5.772 1.761 0.538 0.791 1.000 1.000 CB 0.674 7 residues pruned to eliminate duplicates Z: 9 9.072 1.594 0.548 0.641 0.875 0.625 O 1.302 11 residues pruned to eliminate duplicates 6 1.305 1.222 0.156 0.278 0.600 0.600 CB 0.886 ? Z: 14 15.735 1.762 0.523 0.764 1.000 0.462 CB 1.287 13 residues pruned to eliminate duplicates Z: 6 3.272 1.543 0.363 0.291 0.800 0.600 N 1.099 Z: 20 16.919 1.751 0.495 0.734 0.947 0.684 CA 1.268 20 residues pruned to eliminate duplicates Z: 12 6.132 1.511 0.504 0.508 0.818 0.364 CB 0.986 Z: 9 8.684 1.667 0.405 0.729 1.000 0.375 CB 1.066 9 residues pruned to eliminate duplicates Z: 6 2.672 1.276 0.398 0.286 1.000 0.400 CB 0.852 Z: 15 18.436 1.730 0.795 0.789 1.000 0.786 CA 1.231 15 residues pruned to eliminate duplicates Z: 23 12.049 1.639 0.755 0.474 0.773 0.636 CA 1.186 23 residues pruned to eliminate duplicates Z: 15 15.735 1.960 0.386 0.818 1.000 0.786 CA 1.175 15 residues pruned to eliminate duplicates Z: 17 28.710 1.864 0.916 0.950 1.000 0.938 CA 1.386 17 residues pruned to eliminate duplicates Z: 8 16.626 1.566 1.153 0.898 1.000 0.429 CB 1.334 8 residues pruned to eliminate duplicates Z: 7 4.530 1.682 0.391 0.467 0.833 0.500 CB 0.980 Z: 17 11.481 1.650 0.527 0.475 0.938 0.625 CB 1.246 10 residues pruned to eliminate duplicates Z: 13 19.966 1.977 0.358 0.903 1.000 1.000 CA 1.529 14 residues pruned to eliminate duplicates Z: 10 6.188 1.320 0.662 0.491 0.889 0.556 CB 1.068 Z: 13 8.008 1.687 0.278 0.411 0.833 0.417 CA 1.412 7 1.706 1.360 0.658 0.570 0.667 0.500 CB 0.433 ? Z: 13 7.127 1.663 0.204 0.413 0.833 0.583 CA 1.351 13 residues pruned to eliminate duplicates Z: 10 10.151 1.675 0.690 0.687 1.000 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 34 18.597 1.890 0.558 0.506 0.909 0.364 CB 1.202 39 residues pruned to eliminate duplicates Z: 21 14.243 1.891 0.395 0.491 0.850 0.400 CB 1.433 21 residues pruned to eliminate duplicates 6 1.462 1.013 0.106 0.437 0.800 0.600 O 0.778 ? Z: 6 2.893 1.553 0.598 0.291 0.800 0.400 N 0.824 Z: 12 11.145 1.766 0.846 0.755 0.909 0.545 CA 0.904 11 residues pruned to eliminate duplicates Z: 13 3.818 1.448 0.289 0.408 0.583 0.333 CA 1.115 13 residues pruned to eliminate duplicates 6 1.857 1.469 0.579 0.270 0.600 0.400 CB 0.775 ? Z: 6 6.988 1.789 0.252 0.859 1.000 0.800 CB 1.027 6 residues pruned to eliminate duplicates Z: 6 3.892 1.615 0.162 0.616 1.000 0.800 CB 0.831 Z: 7 8.560 1.598 0.773 0.704 0.833 0.500 CA 1.229 7 residues pruned to eliminate duplicates Z: 9 13.639 1.679 0.622 0.884 1.000 0.625 CB 1.279 9 residues pruned to eliminate duplicates Z: 7 3.042 1.477 -0.065 0.428 0.833 0.500 O 1.163 Z: 7 6.825 1.605 0.402 0.622 1.000 0.667 CB 1.103 Z: 16 21.371 1.779 0.931 0.879 0.800 0.467 CA 1.456 16 residues pruned to eliminate duplicates Z: 6 6.382 1.319 0.763 0.790 1.000 0.600 CA 0.951 Z: 22 18.340 1.788 0.739 0.683 0.810 0.524 N 1.344 22 residues pruned to eliminate duplicates Z: 29 12.430 1.765 0.637 0.329 0.821 0.464 CB 1.194 29 residues pruned to eliminate duplicates Z: 8 5.385 1.680 0.306 0.277 0.857 0.286 C 1.392 8 residues pruned to eliminate duplicates Z: 17 26.337 1.794 0.972 0.902 0.938 0.625 CA 1.415 17 residues pruned to eliminate duplicates Z: 15 23.147 1.853 0.699 0.918 1.000 0.714 CB 1.386 16 residues pruned to eliminate duplicates Z: 12 16.749 1.912 0.803 0.766 1.000 0.364 CB 1.157 12 residues pruned to eliminate duplicates Z: 13 10.363 1.491 0.690 0.798 0.917 0.583 CB 0.998 13 residues pruned to eliminate duplicates Z: 11 4.140 1.503 0.175 0.481 0.700 0.400 CB 1.079 11 residues pruned to eliminate duplicates 6 1.725 1.290 0.581 0.384 0.400 0.400 CB 1.070 ? Z: 6 4.340 1.198 0.791 0.839 1.000 0.600 CB 0.676 Z: 7 3.314 1.320 0.190 0.503 0.833 0.667 CB 1.030 7 residues pruned to eliminate duplicates Z: 8 4.781 1.475 0.828 0.340 0.857 0.429 CB 0.931 8 residues pruned to eliminate duplicates Z: 9 6.714 1.942 0.428 0.369 0.750 0.500 CB 1.313 9 residues pruned to eliminate duplicates 6 1.765 1.119 0.365 0.608 0.800 0.400 CB 0.583 ? Z: 8 3.419 1.807 0.074 0.565 1.000 0.857 CB 0.626 8 residues pruned to eliminate duplicates Z: 9 5.795 1.616 0.556 0.865 1.000 1.000 CB 0.597 9 residues pruned to eliminate duplicates Z: 11 10.370 1.780 0.312 0.794 1.000 0.900 CB 1.085 11 residues pruned to eliminate duplicates Z: 12 10.170 1.625 0.492 0.597 1.000 0.636 CB 1.152 12 residues pruned to eliminate duplicates Z: 37 22.230 1.871 0.411 0.589 0.917 0.639 CB 1.407 37 residues pruned to eliminate duplicates 6 1.159 1.374 0.151 0.226 0.600 0.400 N 0.753 ? Z: 14 9.647 1.799 0.317 0.648 0.923 0.538 CB 1.066 21 residues pruned to eliminate duplicates Z: 11 13.516 1.511 0.710 0.822 1.000 0.800 CB 1.251 11 residues pruned to eliminate duplicates Z: 8 5.652 1.919 0.523 0.314 0.857 0.429 CB 1.047 8 residues pruned to eliminate duplicates 6 1.873 1.265 0.467 0.380 0.800 0.400 CB 0.641 ? Z: 9 2.408 1.372 0.304 0.280 0.500 0.250 N 1.220 Z: 10 6.737 1.687 0.337 0.314 0.889 0.667 CA 1.377 10 residues pruned to eliminate duplicates Z: 17 21.356 1.976 0.588 0.782 0.938 0.750 CA 1.416 17 residues pruned to eliminate duplicates Z: 16 20.831 1.783 0.831 0.793 0.867 0.267 N 1.471 16 residues pruned to eliminate duplicates Z: 10 6.204 1.429 0.537 0.794 0.889 0.556 CB 0.818 10 residues pruned to eliminate duplicates Z: 7 2.177 1.452 -0.172 0.383 1.000 0.333 CB 0.837 Z: 14 5.016 1.808 0.525 0.148 0.769 0.615 CB 1.012 14 residues pruned to eliminate duplicates Z: 6 2.790 1.310 0.666 0.299 0.800 0.600 N 0.894 Z: 7 2.664 1.488 0.525 0.338 0.833 0.333 CB 0.686 Z: 6 2.878 1.272 0.574 0.440 0.800 0.400 N 0.854 Z: 7 3.992 1.847 0.538 0.287 0.667 0.333 CB 1.092 7 residues pruned to eliminate duplicates Z: 12 7.733 1.597 0.385 0.790 0.727 0.455 CB 1.124 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 15.151 1.631 0.926 0.756 0.900 0.700 CB 1.350 11 residues pruned to eliminate duplicates Z: 11 12.043 1.670 0.651 0.773 0.900 0.800 CB 1.206 11 residues pruned to eliminate duplicates Z: 11 10.951 1.681 0.470 0.757 1.000 0.800 CB 1.116 11 residues pruned to eliminate duplicates Z: 15 12.884 1.523 0.815 0.614 0.929 0.429 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 15.186 1.671 0.775 0.882 1.000 0.900 CB 1.171 10 residues pruned to eliminate duplicates Z: 10 14.849 1.678 0.959 0.844 1.000 0.778 CB 1.120 11 residues pruned to eliminate duplicates Z: 6 6.224 1.512 0.775 0.426 1.000 0.800 CA 1.120 6 residues pruned to eliminate duplicates Z: 6 11.152 1.824 0.512 0.730 1.000 0.800 CA 1.470 6 residues pruned to eliminate duplicates Z: 7 2.734 1.220 0.736 0.251 0.833 0.333 N 0.842 7 residues pruned to eliminate duplicates Z: 6 11.380 1.816 0.453 0.779 1.000 0.800 CB 1.508 6 residues pruned to eliminate duplicates Z: 7 3.035 1.503 0.121 0.575 0.833 0.667 N 0.821 Z: 8 5.781 1.430 0.536 0.351 1.000 0.714 CA 1.170 6 residues pruned to eliminate duplicates Z: 6 5.042 1.606 0.440 0.593 0.800 0.400 CB 1.116 6 residues pruned to eliminate duplicates Z: 19 8.985 1.535 0.598 0.401 0.833 0.611 CB 1.150 12 residues pruned to eliminate duplicates Z: 6 4.443 1.979 0.776 0.267 1.000 0.800 CB 0.737 6 residues pruned to eliminate duplicates Z: 13 5.777 1.924 0.277 0.158 0.833 0.500 CB 1.238 13 residues pruned to eliminate duplicates Z: 9 5.196 1.808 0.493 0.201 1.000 1.000 CB 0.971 9 residues pruned to eliminate duplicates Z: 8 7.029 2.026 0.747 0.206 1.000 0.286 CB 1.064 9 residues pruned to eliminate duplicates Z: 10 5.297 1.991 0.413 0.224 1.000 0.667 CB 0.867 9 residues pruned to eliminate duplicates Z: 11 3.791 1.886 0.383 0.168 0.800 0.400 CB 0.860 11 residues pruned to eliminate duplicates Z: 20 19.936 1.894 0.434 0.766 0.947 0.579 CA 1.403 23 residues pruned to eliminate duplicates Z: 10 14.979 1.955 0.512 0.706 1.000 0.556 CB 1.401 10 residues pruned to eliminate duplicates Z: 19 18.809 1.921 0.527 0.697 0.889 0.556 CB 1.420 19 residues pruned to eliminate duplicates Z: 28 21.546 1.966 0.702 0.585 0.926 0.667 CB 1.233 28 residues pruned to eliminate duplicates Z: 17 19.875 1.989 0.394 0.838 0.938 0.875 CA 1.428 17 residues pruned to eliminate duplicates Z: 19 18.984 1.941 0.380 0.731 0.944 0.778 CA 1.437 19 residues pruned to eliminate duplicates Z: 27 19.958 1.960 0.610 0.624 0.885 0.692 CB 1.248 27 residues pruned to eliminate duplicates Z: 20 20.748 1.911 0.602 0.728 0.947 0.842 CA 1.336 20 residues pruned to eliminate duplicates Z: 27 19.191 1.907 0.720 0.507 0.885 0.615 CB 1.288 27 residues pruned to eliminate duplicates Z: 20 21.725 1.948 0.558 0.764 1.000 0.737 CB 1.299 20 residues pruned to eliminate duplicates Z: 9 7.375 1.901 0.698 0.514 0.750 0.750 CB 1.062 9 residues pruned to eliminate duplicates Z: 6 7.814 1.999 0.504 0.525 1.000 0.800 CB 1.135 6 residues pruned to eliminate duplicates Z: 36 19.518 1.885 0.594 0.464 0.971 0.629 CB 1.173 36 residues pruned to eliminate duplicates Z: 9 9.251 1.982 0.514 0.643 0.875 0.750 CB 1.090 9 residues pruned to eliminate duplicates Z: 9 13.739 1.945 0.739 0.586 1.000 0.625 CB 1.322 8 residues pruned to eliminate duplicates Z: 7 3.854 1.609 0.050 0.378 1.000 0.833 N 1.061 6 residues pruned to eliminate duplicates Z: 6 5.416 1.683 0.326 0.358 1.000 0.400 CA 1.266 6 residues pruned to eliminate duplicates Z: 20 11.408 1.802 0.383 0.440 0.789 0.526 CA 1.415 20 residues pruned to eliminate duplicates Z: 7 3.729 1.488 0.244 0.462 1.000 1.000 CB 0.855 7 residues pruned to eliminate duplicates Z: 12 8.395 1.876 0.294 0.491 0.818 0.545 CA 1.286 12 residues pruned to eliminate duplicates Z: 16 8.455 1.768 0.200 0.504 0.800 0.533 CA 1.282 16 residues pruned to eliminate duplicates Z: 20 11.675 1.789 0.413 0.495 0.789 0.526 CA 1.349 20 residues pruned to eliminate duplicates Z: 18 18.628 1.896 0.401 0.826 0.941 0.706 CA 1.362 18 residues pruned to eliminate duplicates Z: 20 15.467 1.862 0.437 0.679 0.895 0.737 CA 1.258 18 residues pruned to eliminate duplicates Z: 12 11.643 1.646 0.463 0.762 0.909 0.727 CB 1.271 12 residues pruned to eliminate duplicates Z: 18 19.023 1.964 0.389 0.791 0.941 0.765 CA 1.393 18 residues pruned to eliminate duplicates Z: 17 16.885 1.905 0.445 0.863 1.000 0.688 CA 1.124 17 residues pruned to eliminate duplicates Z: 20 23.547 1.962 0.810 0.739 0.947 0.737 CB 1.296 20 residues pruned to eliminate duplicates Z: 20 18.965 1.880 0.719 0.690 0.842 0.632 CB 1.343 20 residues pruned to eliminate duplicates Z: 16 16.293 1.899 0.735 0.730 0.933 0.467 CA 1.112 16 residues pruned to eliminate duplicates Z: 15 21.360 1.965 0.953 0.694 1.000 0.714 CB 1.246 15 residues pruned to eliminate duplicates Z: 15 21.876 1.975 0.960 0.721 0.929 0.643 CB 1.332 15 residues pruned to eliminate duplicates Z: 17 19.056 1.841 0.765 0.756 0.938 0.562 N 1.245 17 residues pruned to eliminate duplicates Z: 15 18.026 1.896 1.079 0.711 0.929 0.643 CB 1.087 15 residues pruned to eliminate duplicates Z: 15 22.612 1.922 0.901 0.764 1.000 0.643 CB 1.309 15 residues pruned to eliminate duplicates Z: 16 14.272 1.905 0.918 0.630 0.733 0.533 CB 1.216 16 residues pruned to eliminate duplicates Z: 18 17.242 1.913 0.750 0.573 0.941 0.706 CB 1.236 18 residues pruned to eliminate duplicates Z: 20 23.196 1.891 0.758 0.791 1.000 0.474 CB 1.239 20 residues pruned to eliminate duplicates Z: 16 27.983 2.020 0.960 0.931 0.933 0.667 CA 1.366 16 residues pruned to eliminate duplicates Z: 22 10.022 1.689 0.246 0.573 0.952 0.619 CB 1.017 30 residues pruned to eliminate duplicates Z: 11 7.689 1.766 0.296 0.858 1.000 0.700 CB 0.783 11 residues pruned to eliminate duplicates Z: 20 11.246 1.761 0.249 0.561 0.947 0.579 CB 1.168 22 residues pruned to eliminate duplicates Z: 9 7.021 1.787 0.176 0.868 1.000 1.000 CB 0.863 9 residues pruned to eliminate duplicates Z: 19 10.540 1.754 0.302 0.628 1.000 0.556 CB 0.964 19 residues pruned to eliminate duplicates Z: 15 8.384 1.712 0.265 0.598 0.929 0.857 CB 1.015 15 residues pruned to eliminate duplicates Z: 15 9.843 1.754 0.239 0.602 0.929 0.500 CB 1.183 15 residues pruned to eliminate duplicates Z: 9 7.381 1.791 0.424 0.847 0.875 0.625 CB 0.868 9 residues pruned to eliminate duplicates Z: 16 9.423 1.777 0.201 0.611 0.933 0.667 CB 1.100 15 residues pruned to eliminate duplicates Z: 13 9.383 1.778 0.329 0.696 0.917 0.583 CB 1.046 13 residues pruned to eliminate duplicates Z: 14 10.367 1.814 0.258 0.636 1.000 0.769 CB 1.109 14 residues pruned to eliminate duplicates Z: 16 9.867 1.751 0.375 0.604 1.000 0.667 CB 0.959 15 residues pruned to eliminate duplicates Z: 9 8.599 1.701 0.315 0.797 1.000 0.750 CA 1.048 8 residues pruned to eliminate duplicates Z: 8 9.804 1.709 0.487 0.717 1.000 0.714 CA 1.197 8 residues pruned to eliminate duplicates Z: 9 5.145 1.574 0.322 0.398 0.875 0.625 CB 1.113 9 residues pruned to eliminate duplicates Z: 10 9.753 1.647 0.492 0.669 1.000 0.444 CB 1.132 10 residues pruned to eliminate duplicates Z: 8 10.150 1.702 0.477 0.760 1.000 0.714 CB 1.211 9 residues pruned to eliminate duplicates Z: 8 9.394 1.694 0.464 0.769 1.000 0.571 CA 1.128 8 residues pruned to eliminate duplicates Z: 9 8.480 1.667 0.574 0.755 0.875 0.625 CA 1.040 8 residues pruned to eliminate duplicates Z: 9 7.760 1.863 0.094 0.833 0.875 0.750 CA 1.155 9 residues pruned to eliminate duplicates Z: 11 12.248 1.787 0.375 0.756 1.000 0.800 CB 1.255 11 residues pruned to eliminate duplicates Z: 16 10.440 1.609 0.408 0.600 0.933 0.533 CB 1.160 10 residues pruned to eliminate duplicates Z: 11 12.913 1.863 0.320 0.856 1.000 0.800 CB 1.224 11 residues pruned to eliminate duplicates Z: 9 11.504 1.912 0.529 0.850 0.875 0.875 CB 1.177 9 residues pruned to eliminate duplicates Z: 7 5.842 1.789 0.291 0.743 0.833 0.833 CB 0.997 7 residues pruned to eliminate duplicates Z: 10 10.378 1.720 0.602 0.643 1.000 0.556 CB 1.098 10 residues pruned to eliminate duplicates Z: 9 11.644 1.789 0.547 0.683 1.000 0.750 CA 1.257 9 residues pruned to eliminate duplicates Z: 10 13.670 1.801 0.705 0.703 1.000 0.667 CA 1.233 10 residues pruned to eliminate duplicates Z: 17 27.901 1.854 0.775 0.914 1.000 0.875 CA 1.499 17 residues pruned to eliminate duplicates Z: 18 26.977 1.869 0.682 0.879 0.941 0.882 CB 1.603 18 residues pruned to eliminate duplicates Z: 18 26.953 1.905 0.817 0.834 0.941 0.765 CA 1.504 18 residues pruned to eliminate duplicates Z: 17 26.574 2.037 0.829 0.710 0.938 0.875 CA 1.572 17 residues pruned to eliminate duplicates Z: 14 25.175 2.082 0.785 0.774 1.000 0.846 CA 1.474 14 residues pruned to eliminate duplicates Z: 14 23.857 2.031 0.895 0.799 1.000 0.923 CA 1.324 14 residues pruned to eliminate duplicates Z: 14 27.291 2.098 0.802 0.793 1.000 0.846 CA 1.549 14 residues pruned to eliminate duplicates Z: 16 31.347 2.024 0.791 0.871 1.000 0.933 CA 1.628 16 residues pruned to eliminate duplicates Z: 14 33.647 2.095 1.047 0.793 1.000 0.846 CA 1.683 14 residues pruned to eliminate duplicates Z: 14 32.889 2.103 0.984 0.802 1.000 0.769 CA 1.679 14 residues pruned to eliminate duplicates Z: 17 29.311 1.957 0.775 0.889 0.938 0.875 CA 1.620 17 residues pruned to eliminate duplicates Z: 15 32.096 2.008 0.710 0.931 1.000 0.714 CB 1.745 15 residues pruned to eliminate duplicates Z: 20 24.065 1.836 0.741 0.754 0.842 0.684 CA 1.636 20 residues pruned to eliminate duplicates Z: 17 30.121 1.922 0.862 0.875 0.938 0.875 N 1.632 17 residues pruned to eliminate duplicates Z: 18 11.686 1.694 0.330 0.581 1.000 0.588 CB 1.164 16 residues pruned to eliminate duplicates Z: 9 9.871 1.607 0.330 0.893 1.000 0.875 CB 1.172 10 residues pruned to eliminate duplicates Z: 8 6.682 1.644 0.146 0.831 0.857 0.571 CB 1.175 8 residues pruned to eliminate duplicates Z: 14 11.015 1.749 0.308 0.587 1.000 0.615 CA 1.228 14 residues pruned to eliminate duplicates Z: 10 5.821 1.481 0.517 0.652 0.778 0.444 CA 0.964 10 residues pruned to eliminate duplicates Z: 17 9.650 1.681 0.369 0.443 0.875 0.688 CA 1.271 17 residues pruned to eliminate duplicates Z: 18 8.556 1.672 0.191 0.542 0.882 0.529 CB 1.134 17 residues pruned to eliminate duplicates Z: 11 8.186 1.582 0.297 0.771 1.000 0.600 CB 0.993 11 residues pruned to eliminate duplicates Z: 17 8.686 1.669 0.306 0.473 0.875 0.625 CA 1.170 17 residues pruned to eliminate duplicates Z: 10 7.663 1.700 0.396 0.318 1.000 0.667 CA 1.315 10 residues pruned to eliminate duplicates Z: 14 7.714 1.633 0.387 0.336 1.000 0.462 N 1.130 14 residues pruned to eliminate duplicates Z: 17 13.220 1.703 0.493 0.625 1.000 0.750 CA 1.155 18 residues pruned to eliminate duplicates Z: 7 3.109 1.395 0.595 0.563 0.833 0.167 CA 0.644 5 residues pruned to eliminate duplicates Z: 8 3.126 1.319 0.176 0.759 1.000 0.857 CA 0.605 8 residues pruned to eliminate duplicates Z: 7 4.315 1.565 0.362 0.488 1.000 0.167 CA 0.837 7 residues pruned to eliminate duplicates Z: 16 9.245 1.629 0.657 0.446 0.867 0.533 CB 1.078 14 residues pruned to eliminate duplicates Z: 8 8.887 1.645 0.777 0.665 0.857 0.286 CB 1.151 8 residues pruned to eliminate duplicates Z: 6 8.990 1.712 0.444 0.655 1.000 0.400 CB 1.408 6 residues pruned to eliminate duplicates Z: 12 5.538 1.633 0.335 0.381 0.818 0.364 CA 1.062 12 residues pruned to eliminate duplicates Z: 8 6.481 1.724 0.196 0.529 0.857 0.429 CB 1.347 8 residues pruned to eliminate duplicates Z: 10 10.769 1.652 0.656 0.423 1.000 0.667 CB 1.422 10 residues pruned to eliminate duplicates Z: 11 5.289 1.660 0.278 0.340 0.800 0.400 CB 1.173 11 residues pruned to eliminate duplicates Z: 10 5.927 1.557 0.288 0.318 1.000 0.444 N 1.204 10 residues pruned to eliminate duplicates Z: 29 14.042 1.779 0.400 0.422 0.893 0.607 CB 1.295 29 residues pruned to eliminate duplicates Z: 14 7.469 1.639 0.477 0.312 0.923 0.538 CB 1.142 14 residues pruned to eliminate duplicates Z: 25 15.622 1.850 0.414 0.482 0.917 0.625 CB 1.354 25 residues pruned to eliminate duplicates Z: 27 15.655 1.787 0.357 0.446 0.962 0.577 CB 1.391 27 residues pruned to eliminate duplicates Z: 26 15.586 1.806 0.450 0.423 0.920 0.680 CB 1.402 26 residues pruned to eliminate duplicates Z: 29 15.397 1.753 0.412 0.411 0.964 0.643 CB 1.338 29 residues pruned to eliminate duplicates Z: 27 14.721 1.771 0.420 0.441 0.885 0.615 CB 1.380 27 residues pruned to eliminate duplicates Z: 26 15.590 1.765 0.400 0.494 1.000 0.600 CB 1.269 26 residues pruned to eliminate duplicates Z: 10 7.061 1.498 0.384 0.835 0.889 0.778 CB 0.957 10 residues pruned to eliminate duplicates Z: 26 15.983 1.811 0.440 0.468 0.920 0.600 CB 1.377 26 residues pruned to eliminate duplicates Z: 26 13.897 1.824 0.315 0.430 0.920 0.720 CB 1.355 26 residues pruned to eliminate duplicates Z: 31 14.492 1.754 0.438 0.423 0.900 0.633 CB 1.263 31 residues pruned to eliminate duplicates Z: 6 2.611 1.399 0.307 0.258 1.000 0.400 CB 0.843 6 residues pruned to eliminate duplicates Z: 29 14.221 1.730 0.420 0.427 0.964 0.607 CB 1.224 29 residues pruned to eliminate duplicates Z: 20 13.181 1.803 0.460 0.430 0.895 0.632 CB 1.380 20 residues pruned to eliminate duplicates Z: 28 13.804 1.742 0.396 0.475 0.889 0.593 CB 1.260 28 residues pruned to eliminate duplicates Z: 26 16.773 1.809 0.503 0.483 0.960 0.600 CB 1.308 27 residues pruned to eliminate duplicates Z: 6 2.469 1.632 0.659 0.298 1.000 0.600 CA 0.511 6 residues pruned to eliminate duplicates Z: 29 15.942 1.780 0.461 0.441 0.929 0.643 CB 1.326 29 residues pruned to eliminate duplicates Z: 9 4.748 1.759 0.005 0.304 1.000 0.250 CB 1.181 Z: 13 16.431 1.932 0.261 0.916 1.000 0.917 CA 1.376 13 residues pruned to eliminate duplicates Z: 16 14.616 1.875 0.205 0.788 0.933 0.867 CA 1.389 16 residues pruned to eliminate duplicates Z: 15 16.652 1.923 0.269 0.824 1.000 0.857 CA 1.377 14 residues pruned to eliminate duplicates Z: 13 17.321 1.864 0.312 0.912 1.000 0.750 CA 1.448 13 residues pruned to eliminate duplicates Z: 13 20.215 2.005 0.447 0.826 1.000 0.833 CA 1.517 13 residues pruned to eliminate duplicates Z: 14 19.287 1.873 0.336 0.897 1.000 0.923 CB 1.531 14 residues pruned to eliminate duplicates Z: 13 22.264 2.014 0.468 0.836 1.000 0.833 CA 1.627 13 residues pruned to eliminate duplicates Z: 14 20.252 1.873 0.421 0.913 1.000 0.846 CA 1.492 14 residues pruned to eliminate duplicates Z: 14 20.580 1.931 0.589 0.808 0.923 0.846 CA 1.540 14 residues pruned to eliminate duplicates Z: 18 15.733 1.802 0.296 0.786 0.941 0.765 CB 1.350 18 residues pruned to eliminate duplicates Z: 17 13.354 1.817 0.319 0.727 0.875 0.625 CA 1.297 17 residues pruned to eliminate duplicates Z: 13 18.511 1.995 0.471 0.825 1.000 0.750 CA 1.374 13 residues pruned to eliminate duplicates Z: 15 20.818 1.951 0.480 0.843 1.000 0.643 CA 1.435 15 residues pruned to eliminate duplicates Z: 14 9.142 1.686 0.313 0.591 0.923 0.692 CB 1.138 14 residues pruned to eliminate duplicates Z: 12 10.611 1.761 0.450 0.728 0.909 0.636 CB 1.122 12 residues pruned to eliminate duplicates Z: 12 12.563 1.613 0.510 0.858 0.909 0.545 CB 1.260 11 residues pruned to eliminate duplicates Z: 12 10.684 1.606 0.439 0.831 0.818 0.818 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 8.959 1.690 0.394 0.595 0.833 0.583 CB 1.203 13 residues pruned to eliminate duplicates Z: 10 7.030 1.746 0.294 0.630 0.889 0.778 CB 1.033 10 residues pruned to eliminate duplicates Z: 14 7.294 1.629 0.257 0.488 0.846 0.385 CB 1.181 14 residues pruned to eliminate duplicates Z: 16 8.867 1.737 0.365 0.516 0.867 0.400 CB 1.096 16 residues pruned to eliminate duplicates Z: 12 8.273 1.760 0.151 0.665 1.000 0.545 CB 1.057 12 residues pruned to eliminate duplicates Z: 16 7.735 1.708 0.445 0.466 0.800 0.467 CB 1.046 16 residues pruned to eliminate duplicates Z: 23 10.742 1.764 0.229 0.489 0.955 0.636 CB 1.118 20 residues pruned to eliminate duplicates Z: 6 7.021 1.740 0.453 0.436 1.000 0.800 CB 1.326 6 residues pruned to eliminate duplicates 6 1.780 1.334 0.178 0.333 0.800 0.200 CB 0.760 ? Z: 9 10.222 1.695 0.255 0.831 1.000 0.750 CB 1.277 9 residues pruned to eliminate duplicates Z: 9 11.185 1.805 0.468 0.754 1.000 0.625 CB 1.190 9 residues pruned to eliminate duplicates Z: 17 7.593 1.628 0.234 0.648 0.875 0.625 CB 0.941 16 residues pruned to eliminate duplicates Z: 11 11.404 1.587 0.398 0.844 1.000 0.700 CB 1.210 11 residues pruned to eliminate duplicates Z: 15 9.953 1.546 0.549 0.636 0.929 0.571 CB 1.053 18 residues pruned to eliminate duplicates Z: 10 7.613 1.666 0.464 0.853 1.000 0.889 CB 0.769 10 residues pruned to eliminate duplicates Z: 9 9.484 1.668 0.283 0.850 1.000 1.000 CB 1.160 9 residues pruned to eliminate duplicates Z: 13 8.806 1.625 0.395 0.675 1.000 0.417 CB 0.955 10 residues pruned to eliminate duplicates Z: 9 11.012 1.723 0.741 0.813 1.000 0.875 CB 0.989 9 residues pruned to eliminate duplicates Z: 12 9.332 1.667 0.261 0.664 1.000 0.636 CB 1.150 12 residues pruned to eliminate duplicates Z: 16 11.486 1.706 0.433 0.655 1.000 0.533 CB 1.050 13 residues pruned to eliminate duplicates Z: 6 2.662 1.625 -0.002 0.257 1.000 0.400 CB 0.968 6 residues pruned to eliminate duplicates Z: 7 2.053 1.685 0.108 0.319 0.833 0.667 CB 0.658 7 residues pruned to eliminate duplicates Z: 9 3.002 1.584 0.407 0.262 0.625 0.625 CB 1.000 9 residues pruned to eliminate duplicates Z: 15 12.659 1.664 0.688 0.492 0.929 0.714 CB 1.308 9 residues pruned to eliminate duplicates Z: 9 17.161 1.754 0.866 0.861 1.000 0.625 CA 1.362 11 residues pruned to eliminate duplicates Z: 8 16.800 1.818 0.742 0.866 1.000 0.571 CB 1.468 8 residues pruned to eliminate duplicates Z: 14 11.515 1.785 0.699 0.546 0.846 0.692 CB 1.189 14 residues pruned to eliminate duplicates Z: 9 15.802 1.809 0.485 0.878 1.000 0.875 CB 1.510 8 residues pruned to eliminate duplicates Z: 10 15.381 1.701 0.711 0.861 0.889 0.889 CA 1.456 10 residues pruned to eliminate duplicates Z: 9 17.813 1.859 0.653 0.840 1.000 0.625 CB 1.529 9 residues pruned to eliminate duplicates Z: 13 8.766 1.582 0.492 0.804 0.917 0.750 CB 0.898 12 residues pruned to eliminate duplicates Z: 12 7.131 1.636 0.360 0.699 0.909 0.636 CB 0.886 12 residues pruned to eliminate duplicates Z: 10 9.569 1.747 0.175 0.820 1.000 0.889 CB 1.178 11 residues pruned to eliminate duplicates Z: 11 11.244 1.617 0.534 0.799 1.000 0.600 CB 1.103 12 residues pruned to eliminate duplicates Z: 11 9.034 1.613 0.509 0.826 1.000 0.700 CB 0.885 11 residues pruned to eliminate duplicates Z: 8 9.160 1.772 0.183 0.713 1.000 0.857 CB 1.361 8 residues pruned to eliminate duplicates Z: 10 6.542 1.646 0.354 0.673 1.000 0.667 CB 0.834 10 residues pruned to eliminate duplicates Z: 8 7.308 1.804 0.141 0.662 1.000 0.714 CB 1.154 8 residues pruned to eliminate duplicates Z: 10 7.262 1.729 0.202 0.630 1.000 0.667 CB 1.030 10 residues pruned to eliminate duplicates Z: 9 7.943 1.792 0.320 0.596 0.875 0.750 CB 1.238 9 residues pruned to eliminate duplicates Z: 7 10.189 1.800 0.781 0.451 1.000 0.167 CB 1.364 7 residues pruned to eliminate duplicates Z: 31 23.233 1.893 0.613 0.588 0.933 0.433 CA 1.368 27 residues pruned to eliminate duplicates Z: 9 7.644 1.366 0.725 0.650 1.000 0.250 CA 0.998 9 residues pruned to eliminate duplicates Z: 29 22.959 1.879 0.520 0.676 0.964 0.571 CA 1.340 29 residues pruned to eliminate duplicates Z: 14 13.825 1.874 0.527 0.529 1.000 0.615 CB 1.302 14 residues pruned to eliminate duplicates Z: 35 18.814 1.911 0.643 0.449 0.912 0.706 CB 1.188 35 residues pruned to eliminate duplicates Z: 52 23.759 1.952 0.513 0.500 0.863 0.569 CB 1.305 52 residues pruned to eliminate duplicates Z: 50 24.118 1.902 0.642 0.451 0.878 0.510 CB 1.321 51 residues pruned to eliminate duplicates Z: 20 16.914 1.980 0.692 0.480 0.895 0.526 CB 1.320 20 residues pruned to eliminate duplicates Z: 20 16.956 1.961 0.591 0.501 0.947 0.368 CB 1.315 20 residues pruned to eliminate duplicates Z: 8 7.542 1.841 0.354 0.520 1.000 0.714 CB 1.121 8 residues pruned to eliminate duplicates Z: 20 16.389 1.932 0.708 0.546 0.842 0.474 CB 1.293 19 residues pruned to eliminate duplicates Z: 17 17.414 1.773 0.641 0.685 1.000 0.625 CA 1.262 17 residues pruned to eliminate duplicates Z: 33 18.308 1.904 0.532 0.466 0.875 0.656 CA 1.313 40 residues pruned to eliminate duplicates Z: 14 13.645 1.896 0.497 0.799 0.923 0.615 CA 1.112 14 residues pruned to eliminate duplicates Z: 30 18.048 1.907 0.515 0.481 0.931 0.690 CA 1.270 30 residues pruned to eliminate duplicates Z: 24 13.313 1.888 0.457 0.372 0.870 0.565 CA 1.331 24 residues pruned to eliminate duplicates Z: 25 12.878 1.908 0.370 0.454 0.833 0.625 CA 1.265 25 residues pruned to eliminate duplicates Z: 38 19.808 1.884 0.462 0.505 0.892 0.622 CB 1.319 38 residues pruned to eliminate duplicates Z: 32 19.503 1.948 0.528 0.484 0.903 0.710 CA 1.324 32 residues pruned to eliminate duplicates Z: 22 13.645 1.962 0.474 0.489 0.857 0.667 CA 1.215 22 residues pruned to eliminate duplicates Z: 19 14.222 1.992 0.432 0.564 0.889 0.611 CA 1.242 19 residues pruned to eliminate duplicates Z: 19 13.930 2.007 0.481 0.591 0.889 0.611 CA 1.139 19 residues pruned to eliminate duplicates Z: 41 19.018 1.842 0.492 0.434 0.875 0.625 CB 1.339 41 residues pruned to eliminate duplicates Z: 13 13.705 1.575 0.695 0.765 1.000 0.667 CA 1.171 13 residues pruned to eliminate duplicates Z: 11 12.700 1.706 0.420 0.889 1.000 0.800 CA 1.194 11 residues pruned to eliminate duplicates Z: 11 13.347 1.679 0.484 0.887 1.000 0.900 CB 1.221 11 residues pruned to eliminate duplicates Z: 11 11.733 1.684 0.451 0.892 0.900 0.900 CA 1.212 11 residues pruned to eliminate duplicates Z: 18 12.423 1.651 0.457 0.681 0.941 0.647 CB 1.127 18 residues pruned to eliminate duplicates Z: 11 8.090 1.600 0.537 0.460 0.900 0.700 CB 1.203 11 residues pruned to eliminate duplicates Z: 19 11.776 1.725 0.563 0.351 0.944 0.611 CA 1.281 20 residues pruned to eliminate duplicates Z: 6 3.366 1.383 0.344 0.357 1.000 0.600 N 0.946 6 residues pruned to eliminate duplicates Z: 19 11.002 1.701 0.322 0.401 0.944 0.500 CB 1.355 19 residues pruned to eliminate duplicates Z: 20 12.005 1.737 0.467 0.366 0.895 0.474 CA 1.395 20 residues pruned to eliminate duplicates Z: 18 12.438 1.799 0.582 0.353 0.882 0.471 CB 1.409 18 residues pruned to eliminate duplicates Z: 21 10.467 1.602 0.621 0.301 0.850 0.450 CB 1.323 19 residues pruned to eliminate duplicates Z: 6 4.561 1.764 0.164 0.352 1.000 1.000 CB 1.166 6 residues pruned to eliminate duplicates Z: 60 20.574 1.835 0.529 0.380 0.831 0.492 CB 1.307 62 residues pruned to eliminate duplicates Z: 6 7.716 2.038 0.366 0.531 0.800 0.400 CB 1.502 6 residues pruned to eliminate duplicates Z: 31 20.028 1.928 0.478 0.526 0.900 0.567 CB 1.391 31 residues pruned to eliminate duplicates Z: 34 18.636 1.931 0.380 0.515 0.848 0.636 CB 1.413 34 residues pruned to eliminate duplicates Z: 20 10.985 1.928 0.202 0.446 0.895 0.316 CB 1.285 20 residues pruned to eliminate duplicates Z: 32 19.601 1.908 0.442 0.496 0.903 0.613 CB 1.422 32 residues pruned to eliminate duplicates Z: 30 22.516 1.970 0.558 0.544 0.931 0.621 CB 1.402 30 residues pruned to eliminate duplicates Z: 30 20.895 1.935 0.412 0.530 0.966 0.690 CA 1.429 30 residues pruned to eliminate duplicates Z: 15 10.912 1.910 0.277 0.451 0.929 0.571 CB 1.353 15 residues pruned to eliminate duplicates Z: 18 11.284 1.866 0.344 0.388 0.882 0.471 CB 1.392 18 residues pruned to eliminate duplicates Z: 33 20.038 1.891 0.478 0.479 0.938 0.594 CB 1.381 33 residues pruned to eliminate duplicates Z: 29 13.146 1.898 0.427 0.310 0.857 0.393 CB 1.321 29 residues pruned to eliminate duplicates Z: 33 17.204 1.844 0.379 0.458 0.906 0.531 CB 1.378 33 residues pruned to eliminate duplicates Z: 25 11.693 1.838 0.241 0.450 0.792 0.500 CB 1.391 25 residues pruned to eliminate duplicates Z: 39 16.892 1.879 0.321 0.375 0.921 0.526 CB 1.370 39 residues pruned to eliminate duplicates Z: 31 18.564 1.896 0.362 0.507 0.900 0.567 CB 1.449 31 residues pruned to eliminate duplicates Z: 30 12.702 1.873 0.421 0.325 0.828 0.517 CB 1.298 30 residues pruned to eliminate duplicates Z: 26 13.290 1.820 0.203 0.460 0.960 0.560 CB 1.318 26 residues pruned to eliminate duplicates Z: 34 16.984 1.864 0.436 0.447 0.879 0.545 CB 1.327 34 residues pruned to eliminate duplicates Z: 34 20.502 1.908 0.432 0.469 0.939 0.576 CB 1.435 34 residues pruned to eliminate duplicates Z: 31 20.567 1.922 0.450 0.482 0.933 0.567 CB 1.470 31 residues pruned to eliminate duplicates Z: 32 19.464 1.881 0.395 0.500 0.935 0.581 CB 1.424 32 residues pruned to eliminate duplicates Z: 23 18.581 1.948 0.529 0.472 0.909 0.545 CB 1.505 23 residues pruned to eliminate duplicates Z: 11 11.426 1.780 0.413 0.636 1.000 0.900 CA 1.265 11 residues pruned to eliminate duplicates Z: 31 19.811 1.949 0.462 0.502 0.900 0.667 CB 1.408 31 residues pruned to eliminate duplicates Z: 24 11.960 1.845 0.303 0.478 0.826 0.739 CB 1.284 24 residues pruned to eliminate duplicates Z: 21 21.055 1.945 0.680 0.590 0.950 0.750 CB 1.391 21 residues pruned to eliminate duplicates Z: 52 27.458 1.957 0.503 0.523 0.882 0.647 CB 1.449 52 residues pruned to eliminate duplicates Z: 36 14.730 1.945 0.462 0.379 0.800 0.600 CB 1.246 36 residues pruned to eliminate duplicates Z: 32 18.995 1.955 0.466 0.461 0.871 0.613 CB 1.422 32 residues pruned to eliminate duplicates Z: 38 18.902 1.944 0.464 0.408 0.892 0.568 CB 1.347 38 residues pruned to eliminate duplicates Z: 42 21.186 1.893 0.565 0.394 0.927 0.512 CB 1.348 42 residues pruned to eliminate duplicates Z: 27 16.204 1.974 0.451 0.414 0.885 0.615 CB 1.372 27 residues pruned to eliminate duplicates Z: 34 16.904 1.908 0.413 0.410 0.909 0.636 CB 1.319 34 residues pruned to eliminate duplicates Z: 39 19.397 1.940 0.476 0.410 0.868 0.526 CB 1.391 39 residues pruned to eliminate duplicates Z: 39 18.880 1.940 0.521 0.361 0.895 0.421 CB 1.347 39 residues pruned to eliminate duplicates Z: 21 9.414 1.796 0.510 0.300 0.850 0.500 CB 1.141 21 residues pruned to eliminate duplicates Z: 35 19.432 1.901 0.470 0.416 0.912 0.559 CB 1.428 35 residues pruned to eliminate duplicates Z: 38 17.903 1.902 0.454 0.452 0.865 0.622 CB 1.292 38 residues pruned to eliminate duplicates Z: 15 14.747 1.871 0.574 0.819 0.929 0.929 CA 1.093 15 residues pruned to eliminate duplicates Z: 52 27.338 1.914 0.524 0.554 0.902 0.627 CB 1.380 52 residues pruned to eliminate duplicates Z: 46 28.671 1.952 0.568 0.535 0.889 0.644 CB 1.518 46 residues pruned to eliminate duplicates Z: 74 26.620 1.893 0.542 0.475 0.877 0.589 CB 1.249 85 residues pruned to eliminate duplicates Z: 13 18.991 1.746 0.967 0.749 1.000 0.500 CA 1.278 13 residues pruned to eliminate duplicates Z: 20 25.029 1.984 0.743 0.666 0.895 0.579 CB 1.591 20 residues pruned to eliminate duplicates Z: 17 23.917 1.895 0.928 0.795 0.875 0.500 CA 1.444 17 residues pruned to eliminate duplicates Z: 50 29.354 1.899 0.582 0.629 0.898 0.490 CB 1.377 50 residues pruned to eliminate duplicates Z: 81 28.830 1.852 0.409 0.490 0.913 0.538 CB 1.367 81 residues pruned to eliminate duplicates Z: 56 27.864 1.916 0.595 0.503 0.891 0.545 CB 1.375 56 residues pruned to eliminate duplicates Z: 31 23.493 1.900 0.672 0.575 0.867 0.633 CA 1.449 31 residues pruned to eliminate duplicates Z: 48 26.882 1.868 0.639 0.669 0.915 0.426 CB 1.197 48 residues pruned to eliminate duplicates Z: 14 8.056 1.826 0.322 0.446 0.923 0.615 CB 1.060 14 residues pruned to eliminate duplicates Z: 33 20.935 1.934 0.583 0.617 0.906 0.625 CB 1.195 33 residues pruned to eliminate duplicates Z: 18 13.964 1.909 0.460 0.498 0.882 0.471 CB 1.380 18 residues pruned to eliminate duplicates Z: 31 17.969 1.812 0.628 0.487 0.867 0.567 CA 1.300 31 residues pruned to eliminate duplicates Z: 12 11.186 1.928 0.457 0.516 0.818 0.636 CA 1.444 12 residues pruned to eliminate duplicates Z: 19 14.417 1.896 0.491 0.483 0.944 0.500 CB 1.295 19 residues pruned to eliminate duplicates Z: 32 13.805 1.760 0.277 0.559 0.903 0.613 CB 1.153 32 residues pruned to eliminate duplicates Z: 31 21.014 1.878 0.733 0.577 0.833 0.500 CB 1.313 31 residues pruned to eliminate duplicates Z: 32 20.001 1.905 0.324 0.596 0.935 0.645 CB 1.390 32 residues pruned to eliminate duplicates Z: 7 2.777 1.723 0.354 0.295 0.833 0.333 CB 0.733 7 residues pruned to eliminate duplicates Z: 21 18.934 1.852 0.314 0.720 1.000 0.700 CB 1.426 21 residues pruned to eliminate duplicates Z: 25 19.925 1.888 0.584 0.586 0.958 0.625 CB 1.307 25 residues pruned to eliminate duplicates Z: 22 16.302 1.923 0.289 0.675 0.905 0.571 CB 1.350 22 residues pruned to eliminate duplicates Z: 39 21.462 1.908 0.530 0.555 0.974 0.632 CB 1.161 38 residues pruned to eliminate duplicates Z: 18 15.795 1.942 0.306 0.829 0.941 0.471 CA 1.207 18 residues pruned to eliminate duplicates Z: 23 17.255 1.967 0.257 0.676 0.955 0.682 CB 1.325 23 residues pruned to eliminate duplicates Z: 22 16.564 1.926 0.315 0.694 0.905 0.810 CB 1.322 22 residues pruned to eliminate duplicates Z: 23 18.033 1.908 0.316 0.664 1.000 0.727 CA 1.316 23 residues pruned to eliminate duplicates Z: 26 18.711 1.938 0.262 0.657 0.960 0.600 CB 1.379 26 residues pruned to eliminate duplicates Z: 48 30.570 1.932 0.519 0.679 0.979 0.681 CB 1.317 48 residues pruned to eliminate duplicates Z: 33 16.538 1.813 0.452 0.513 0.875 0.594 CB 1.252 33 residues pruned to eliminate duplicates Z: 34 21.921 1.900 0.543 0.609 0.909 0.667 CB 1.291 34 residues pruned to eliminate duplicates Z: 25 21.015 1.940 0.497 0.645 0.958 0.708 CB 1.346 25 residues pruned to eliminate duplicates Z: 35 21.582 1.878 0.507 0.576 0.971 0.765 CB 1.251 35 residues pruned to eliminate duplicates Z: 23 23.422 1.923 0.583 0.730 0.955 0.864 CA 1.397 23 residues pruned to eliminate duplicates Z: 36 23.408 1.851 0.698 0.619 0.943 0.657 CB 1.193 36 residues pruned to eliminate duplicates Z: 31 24.019 1.947 0.356 0.664 1.000 0.700 CB 1.428 31 residues pruned to eliminate duplicates Z: 22 19.184 1.961 0.393 0.712 0.952 0.810 CA 1.328 22 residues pruned to eliminate duplicates Z: 10 11.613 1.967 0.470 0.559 1.000 0.889 CA 1.265 10 residues pruned to eliminate duplicates Z: 12 11.772 1.955 0.544 0.603 0.909 0.909 CB 1.173 12 residues pruned to eliminate duplicates Z: 13 13.154 1.936 0.582 0.634 1.000 0.750 CB 1.093 13 residues pruned to eliminate duplicates Z: 18 14.820 1.902 0.751 0.454 0.941 0.765 CB 1.201 18 residues pruned to eliminate duplicates Z: 23 14.105 1.887 0.667 0.410 0.955 0.818 CB 1.100 19 residues pruned to eliminate duplicates Z: 12 10.829 1.865 0.583 0.532 0.909 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 18 12.387 1.891 0.542 0.407 0.941 0.882 CB 1.208 18 residues pruned to eliminate duplicates Z: 32 22.945 1.907 0.558 0.656 0.935 0.839 CB 1.283 32 residues pruned to eliminate duplicates Z: 11 14.469 1.946 0.605 0.601 1.000 0.900 CA 1.331 11 residues pruned to eliminate duplicates Z: 13 5.896 1.757 0.689 0.516 0.750 0.583 CB 0.753 13 residues pruned to eliminate duplicates Z: 11 8.836 1.766 0.544 0.282 0.900 0.700 CA 1.457 11 residues pruned to eliminate duplicates Z: 6 5.733 1.967 0.749 0.326 0.800 0.600 CA 1.128 6 residues pruned to eliminate duplicates Z: 12 8.140 1.853 0.622 0.193 0.909 0.455 CB 1.297 12 residues pruned to eliminate duplicates Z: 9 8.947 1.969 0.811 0.256 0.875 0.750 CB 1.340 9 residues pruned to eliminate duplicates Z: 12 7.341 1.851 0.529 0.282 0.909 0.545 CA 1.101 12 residues pruned to eliminate duplicates Z: 12 7.500 1.815 0.685 0.303 0.818 0.545 CB 1.126 15 residues pruned to eliminate duplicates Z: 13 7.393 1.866 0.307 0.561 0.750 0.417 CB 1.099 13 residues pruned to eliminate duplicates Z: 9 4.351 1.735 0.215 0.113 0.875 0.500 N 1.362 9 residues pruned to eliminate duplicates Z: 18 17.538 1.944 0.717 0.549 0.941 0.529 CB 1.291 18 residues pruned to eliminate duplicates Z: 10 6.037 1.857 0.193 0.487 0.778 0.556 CB 1.183 10 residues pruned to eliminate duplicates Z: 17 15.006 1.887 0.746 0.588 0.938 0.688 CB 1.116 17 residues pruned to eliminate duplicates Z: 12 12.019 2.007 0.246 0.725 1.000 0.636 CB 1.183 12 residues pruned to eliminate duplicates Z: 31 14.139 1.882 0.443 0.496 0.867 0.600 CB 1.101 31 residues pruned to eliminate duplicates Z: 12 12.885 1.965 0.468 0.748 1.000 0.818 CB 1.080 12 residues pruned to eliminate duplicates Z: 22 13.581 1.892 0.375 0.492 0.952 0.619 CB 1.205 22 residues pruned to eliminate duplicates Z: 15 11.282 1.916 0.631 0.650 0.857 0.571 CB 0.978 15 residues pruned to eliminate duplicates Z: 18 11.642 1.769 0.535 0.566 1.000 0.588 CB 0.976 18 residues pruned to eliminate duplicates Z: 11 7.235 1.739 0.255 0.355 0.900 0.400 CB 1.363 11 residues pruned to eliminate duplicates Z: 6 2.183 1.312 0.356 0.307 1.000 0.200 CA 0.680 6 residues pruned to eliminate duplicates Z: 15 7.547 1.765 0.268 0.351 1.000 0.500 CB 1.059 15 residues pruned to eliminate duplicates Z: 11 8.487 1.733 0.568 0.324 1.000 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 11 7.640 1.682 0.338 0.353 1.000 0.400 CB 1.259 10 residues pruned to eliminate duplicates Z: 6 4.896 1.493 0.926 0.422 0.800 0.400 N 1.032 6 residues pruned to eliminate duplicates Z: 15 9.437 1.762 0.618 0.389 0.929 0.500 CB 1.072 14 residues pruned to eliminate duplicates Z: 8 3.737 1.392 0.411 0.482 1.000 1.000 CA 0.732 8 residues pruned to eliminate duplicates Z: 21 9.243 1.749 0.338 0.305 0.850 0.550 CB 1.290 21 residues pruned to eliminate duplicates Z: 16 9.157 1.790 0.392 0.378 0.800 0.533 CB 1.351 16 residues pruned to eliminate duplicates Z: 13 8.753 1.800 0.270 0.369 0.917 0.333 CB 1.388 13 residues pruned to eliminate duplicates Z: 18 9.522 1.862 0.317 0.352 0.882 0.588 CB 1.253 18 residues pruned to eliminate duplicates Z: 20 6.181 1.636 0.290 0.308 0.737 0.368 CB 1.128 20 residues pruned to eliminate duplicates Z: 22 9.861 1.721 0.544 0.299 0.857 0.571 CB 1.183 22 residues pruned to eliminate duplicates Z: 20 9.665 1.850 0.428 0.294 0.842 0.526 CB 1.256 20 residues pruned to eliminate duplicates Z: 21 11.349 1.741 0.553 0.301 0.900 0.250 CB 1.302 21 residues pruned to eliminate duplicates Z: 18 10.379 1.789 0.521 0.396 0.824 0.412 CB 1.254 17 residues pruned to eliminate duplicates Z: 13 6.381 1.279 0.863 0.643 0.833 0.417 CB 0.812 13 residues pruned to eliminate duplicates Z: 31 8.630 1.658 0.402 0.266 0.800 0.433 CB 1.105 19 residues pruned to eliminate duplicates Z: 7 4.714 1.701 0.472 0.589 0.667 0.333 CB 1.059 7 residues pruned to eliminate duplicates Z: 22 11.779 1.760 0.551 0.431 0.857 0.381 CB 1.179 22 residues pruned to eliminate duplicates Z: 21 10.120 1.748 0.290 0.512 0.900 0.650 CB 1.103 21 residues pruned to eliminate duplicates Z: 16 10.225 1.726 0.372 0.513 0.933 0.467 CB 1.179 16 residues pruned to eliminate duplicates Z: 20 7.002 1.566 0.279 0.453 0.895 0.632 CA 0.941 20 residues pruned to eliminate duplicates Z: 31 17.990 1.833 0.510 0.525 0.933 0.533 CA 1.241 34 residues pruned to eliminate duplicates Z: 6 2.195 1.428 0.432 0.424 0.800 0.800 CA 0.649 6 residues pruned to eliminate duplicates Z: 16 8.510 1.671 0.261 0.439 0.867 0.533 CB 1.282 16 residues pruned to eliminate duplicates Z: 12 7.177 1.732 0.218 0.572 0.818 0.545 CA 1.170 12 residues pruned to eliminate duplicates Z: 28 10.857 1.720 0.507 0.321 0.852 0.407 CB 1.153 28 residues pruned to eliminate duplicates Z: 13 10.498 1.760 0.345 0.556 1.000 0.250 CB 1.213 13 residues pruned to eliminate duplicates Z: 14 9.505 1.751 0.570 0.460 0.923 0.538 CB 1.082 14 residues pruned to eliminate duplicates Z: 14 8.504 1.787 0.247 0.436 0.923 0.538 CA 1.226 14 residues pruned to eliminate duplicates Z: 57 31.059 1.836 0.823 0.508 0.893 0.536 CB 1.377 57 residues pruned to eliminate duplicates Z: 33 14.994 1.796 0.547 0.435 0.844 0.500 CB 1.209 33 residues pruned to eliminate duplicates Z: 40 11.896 1.756 0.351 0.355 0.872 0.462 CB 1.077 40 residues pruned to eliminate duplicates Z: 21 10.724 1.792 0.554 0.426 0.900 0.650 CB 1.033 21 residues pruned to eliminate duplicates Z: 9 5.118 1.856 0.396 0.343 1.000 0.500 CB 0.828 9 residues pruned to eliminate duplicates 8 1.716 1.860 0.322 0.183 0.571 0.429 CB 0.676 ? Z: 31 16.629 1.768 0.681 0.441 0.833 0.567 CB 1.303 31 residues pruned to eliminate duplicates Z: 37 19.755 1.814 0.713 0.495 0.889 0.667 CB 1.197 76 residues pruned to eliminate duplicates Z: 16 29.269 1.829 1.040 0.896 0.933 0.867 CA 1.555 16 residues pruned to eliminate duplicates Z: 23 17.908 1.873 0.645 0.561 0.909 0.591 CB 1.285 23 residues pruned to eliminate duplicates Z: 16 21.888 1.968 0.796 0.700 0.933 0.800 CA 1.427 16 residues pruned to eliminate duplicates Z: 16 18.745 1.840 0.839 0.681 0.933 0.733 CA 1.299 16 residues pruned to eliminate duplicates Z: 15 22.263 1.958 0.902 0.721 0.857 0.714 CA 1.527 15 residues pruned to eliminate duplicates Z: 16 22.462 1.938 0.918 0.696 0.867 0.733 CB 1.506 16 residues pruned to eliminate duplicates Z: 19 19.446 1.837 0.780 0.678 0.889 0.722 CB 1.339 19 residues pruned to eliminate duplicates Z: 18 19.433 1.850 0.942 0.718 0.765 0.412 CB 1.409 18 residues pruned to eliminate duplicates Z: 27 15.811 1.802 0.685 0.518 0.846 0.500 CB 1.186 27 residues pruned to eliminate duplicates Z: 17 25.389 1.904 1.167 0.755 0.875 0.438 CB 1.401 17 residues pruned to eliminate duplicates Z: 64 30.177 1.862 0.700 0.525 0.905 0.508 CB 1.295 64 residues pruned to eliminate duplicates Z: 42 26.235 1.860 0.776 0.526 0.927 0.561 CB 1.304 42 residues pruned to eliminate duplicates Z: 16 11.914 1.707 0.600 0.478 0.867 0.533 CB 1.329 16 residues pruned to eliminate duplicates Z: 26 25.523 1.850 0.832 0.678 0.920 0.440 CA 1.389 26 residues pruned to eliminate duplicates Z: 12 13.634 1.752 0.628 0.556 1.000 0.818 N 1.365 Z: 12 8.556 1.661 0.388 0.619 0.727 0.545 CA 1.374 12 residues pruned to eliminate duplicates Z: 32 20.530 1.779 0.745 0.538 0.839 0.323 N 1.365 32 residues pruned to eliminate duplicates Z: 45 34.226 1.894 0.797 0.617 0.909 0.636 CA 1.492 45 residues pruned to eliminate duplicates Z: 60 29.787 1.868 0.633 0.485 0.898 0.610 CB 1.437 60 residues pruned to eliminate duplicates Z: 24 20.535 1.889 0.622 0.585 0.913 0.478 CB 1.411 24 residues pruned to eliminate duplicates Z: 67 30.323 1.814 0.627 0.518 0.909 0.545 CB 1.367 67 residues pruned to eliminate duplicates Z: 48 22.962 1.844 0.631 0.510 0.851 0.638 CB 1.296 48 residues pruned to eliminate duplicates Z: 37 31.010 1.922 0.775 0.582 0.917 0.583 CB 1.527 37 residues pruned to eliminate duplicates Z: 23 18.751 1.860 0.523 0.619 0.909 0.727 CB 1.388 23 residues pruned to eliminate duplicates Z: 38 24.034 1.814 0.625 0.551 0.892 0.676 CB 1.430 38 residues pruned to eliminate duplicates Z: 66 25.528 1.799 0.509 0.498 0.877 0.585 CB 1.332 61 residues pruned to eliminate duplicates Z: 17 20.652 1.807 0.829 0.730 0.938 0.438 CA 1.355 17 residues pruned to eliminate duplicates Z: 24 19.983 1.843 0.680 0.633 0.957 0.783 CB 1.241 24 residues pruned to eliminate duplicates Z: 31 25.159 1.859 0.633 0.610 0.967 0.800 CB 1.411 31 residues pruned to eliminate duplicates Z: 36 29.508 1.871 0.735 0.619 0.914 0.714 CB 1.501 36 residues pruned to eliminate duplicates Z: 46 33.973 1.872 0.798 0.643 0.911 0.667 CB 1.445 46 residues pruned to eliminate duplicates Z: 35 24.352 1.799 0.629 0.518 0.971 0.706 CA 1.442 35 residues pruned to eliminate duplicates Z: 36 23.562 1.817 0.569 0.559 0.914 0.686 N 1.442 36 residues pruned to eliminate duplicates Z: 33 23.627 1.837 0.582 0.599 0.906 0.719 CA 1.443 33 residues pruned to eliminate duplicates Z: 24 18.937 1.857 0.435 0.577 0.913 0.696 CB 1.507 24 residues pruned to eliminate duplicates Z: 27 16.913 1.813 0.381 0.583 0.923 0.692 CA 1.326 27 residues pruned to eliminate duplicates Z: 46 27.148 1.789 0.592 0.521 0.978 0.689 CA 1.423 46 residues pruned to eliminate duplicates Z: 22 14.087 1.756 0.402 0.555 0.905 0.667 CA 1.309 22 residues pruned to eliminate duplicates Z: 28 17.071 1.811 0.296 0.606 0.926 0.741 CA 1.365 28 residues pruned to eliminate duplicates Z: 34 22.884 1.844 0.522 0.601 0.939 0.697 CA 1.373 34 residues pruned to eliminate duplicates Z: 34 24.238 1.842 0.627 0.599 0.970 0.727 CA 1.321 34 residues pruned to eliminate duplicates Z: 17 11.495 1.697 0.226 0.573 1.000 0.750 CA 1.288 17 residues pruned to eliminate duplicates Z: 51 25.364 1.798 0.532 0.520 0.900 0.720 CA 1.418 51 residues pruned to eliminate duplicates Z: 19 9.463 1.750 0.580 0.324 0.889 0.722 CB 1.101 19 residues pruned to eliminate duplicates Z: 34 20.488 1.838 0.470 0.572 0.939 0.697 CA 1.311 34 residues pruned to eliminate duplicates Z: 11 9.668 1.752 0.598 0.506 0.900 0.600 CB 1.206 11 residues pruned to eliminate duplicates Z: 43 24.991 1.803 0.564 0.583 0.952 0.643 CA 1.326 43 residues pruned to eliminate duplicates Z: 34 20.782 1.804 0.445 0.591 0.970 0.697 CB 1.312 34 residues pruned to eliminate duplicates Z: 20 11.459 1.862 0.568 0.430 0.947 0.579 CB 1.022 20 residues pruned to eliminate duplicates Z: 13 7.793 1.728 0.416 0.377 0.833 0.667 CA 1.258 13 residues pruned to eliminate duplicates Z: 18 8.080 1.775 0.596 0.321 0.824 0.647 CB 1.024 18 residues pruned to eliminate duplicates Z: 12 5.414 1.771 0.268 0.356 0.727 0.545 CB 1.168 12 residues pruned to eliminate duplicates Z: 10 5.952 1.832 0.547 0.280 0.778 0.667 CB 1.154 10 residues pruned to eliminate duplicates Z: 14 11.218 1.829 0.699 0.507 0.923 0.769 CB 1.077 14 residues pruned to eliminate duplicates Z: 14 9.541 1.871 0.603 0.386 0.846 0.462 CB 1.176 14 residues pruned to eliminate duplicates Z: 8 5.886 1.957 0.460 0.270 0.857 0.429 CB 1.180 8 residues pruned to eliminate duplicates Z: 16 12.301 1.895 0.613 0.607 0.933 0.733 CB 1.006 16 residues pruned to eliminate duplicates Z: 14 13.022 1.838 0.543 0.592 0.846 0.538 CA 1.378 14 residues pruned to eliminate duplicates Z: 15 10.670 1.673 0.388 0.668 0.929 0.643 CB 1.132 15 residues pruned to eliminate duplicates Z: 22 9.022 1.786 0.322 0.431 0.762 0.476 CB 1.176 22 residues pruned to eliminate duplicates Z: 89 30.681 1.828 0.586 0.489 0.864 0.557 CB 1.320 89 residues pruned to eliminate duplicates Z: 10 13.421 1.965 0.555 0.761 0.889 0.556 CB 1.306 10 residues pruned to eliminate duplicates Z: 10 16.778 1.906 0.753 0.845 1.000 0.667 CB 1.244 9 residues pruned to eliminate duplicates Z: 9 18.158 1.979 0.753 0.883 1.000 0.875 CB 1.338 10 residues pruned to eliminate duplicates Z: 9 16.394 1.931 0.640 0.851 1.000 0.750 CB 1.354 9 residues pruned to eliminate duplicates Z: 18 11.702 1.921 0.464 0.521 0.824 0.588 CB 1.200 18 residues pruned to eliminate duplicates Z: 10 16.353 1.924 0.637 0.820 1.000 0.667 CB 1.311 10 residues pruned to eliminate duplicates Z: 61 27.424 1.935 0.593 0.492 0.867 0.567 CB 1.335 64 residues pruned to eliminate duplicates Z: 12 13.539 1.891 0.658 0.652 0.909 0.545 CA 1.243 12 residues pruned to eliminate duplicates Z: 19 12.370 1.848 0.339 0.515 0.944 0.667 CA 1.229 19 residues pruned to eliminate duplicates Z: 11 12.694 1.801 0.669 0.521 0.900 0.700 CB 1.453 11 residues pruned to eliminate duplicates Z: 12 9.331 1.870 0.467 0.401 0.818 0.455 CB 1.392 12 residues pruned to eliminate duplicates Z: 15 10.348 1.733 0.590 0.358 0.857 0.571 CB 1.365 15 residues pruned to eliminate duplicates Z: 11 9.798 1.859 0.538 0.416 0.900 0.400 CB 1.314 11 residues pruned to eliminate duplicates Z: 9 8.905 1.846 0.360 0.547 0.875 0.500 CB 1.368 9 residues pruned to eliminate duplicates Z: 8 6.244 1.739 0.481 0.473 0.857 0.714 CA 1.098 8 residues pruned to eliminate duplicates Z: 21 8.957 1.815 0.544 0.270 0.700 0.550 CB 1.325 21 residues pruned to eliminate duplicates Z: 13 8.749 1.842 0.423 0.360 0.833 0.417 CB 1.344 13 residues pruned to eliminate duplicates Z: 30 12.841 1.891 0.455 0.298 0.828 0.448 CB 1.312 30 residues pruned to eliminate duplicates Z: 16 9.101 1.926 0.434 0.255 0.867 0.333 CB 1.300 16 residues pruned to eliminate duplicates Z: 40 21.035 1.932 0.504 0.531 0.821 0.590 CB 1.370 40 residues pruned to eliminate duplicates Z: 25 15.592 1.912 0.595 0.453 0.875 0.583 CA 1.251 25 residues pruned to eliminate duplicates Z: 37 17.055 1.905 0.458 0.400 0.806 0.556 CB 1.413 37 residues pruned to eliminate duplicates Z: 24 6.732 1.818 0.358 0.231 0.696 0.435 CB 1.117 24 residues pruned to eliminate duplicates Z: 40 14.922 1.786 0.521 0.382 0.795 0.564 CB 1.255 40 residues pruned to eliminate duplicates Z: 32 18.588 1.931 0.360 0.550 0.839 0.548 CB 1.443 32 residues pruned to eliminate duplicates Z: 29 8.082 1.782 0.430 0.255 0.750 0.571 CB 1.059 29 residues pruned to eliminate duplicates Z: 23 13.930 1.833 0.597 0.381 0.818 0.591 CA 1.408 23 residues pruned to eliminate duplicates Z: 30 19.157 1.910 0.412 0.543 0.897 0.621 CB 1.410 30 residues pruned to eliminate duplicates Z: 39 21.486 1.893 0.500 0.504 0.868 0.500 CB 1.408 39 residues pruned to eliminate duplicates Z: 39 11.471 1.693 0.448 0.287 0.895 0.395 CB 1.078 39 residues pruned to eliminate duplicates Z: 19 21.164 1.902 0.652 0.724 0.889 0.611 CB 1.458 19 residues pruned to eliminate duplicates Z: 32 22.704 1.928 0.511 0.592 0.935 0.677 CA 1.370 32 residues pruned to eliminate duplicates Z: 20 18.521 1.959 0.405 0.759 0.947 0.632 CB 1.295 20 residues pruned to eliminate duplicates Z: 19 18.076 1.933 0.393 0.766 0.889 0.778 CB 1.405 19 residues pruned to eliminate duplicates Z: 17 12.988 1.871 0.367 0.531 0.812 0.500 N 1.515 17 residues pruned to eliminate duplicates Z: 18 9.728 1.600 0.859 0.340 0.765 0.176 CB 1.236 18 residues pruned to eliminate duplicates Z: 25 16.196 1.816 0.447 0.657 0.875 0.583 CB 1.243 25 residues pruned to eliminate duplicates Z: 24 17.594 1.938 0.380 0.617 0.870 0.565 CB 1.412 24 residues pruned to eliminate duplicates Z: 22 17.724 1.906 0.509 0.687 0.905 0.524 CB 1.252 22 residues pruned to eliminate duplicates Z: 26 18.131 1.911 0.471 0.620 0.880 0.520 CB 1.309 26 residues pruned to eliminate duplicates Z: 24 16.455 1.889 0.460 0.651 0.783 0.609 CB 1.381 24 residues pruned to eliminate duplicates Z: 14 19.214 1.949 0.773 0.839 1.000 0.538 CB 1.151 14 residues pruned to eliminate duplicates Z: 19 21.312 2.009 0.576 0.788 1.000 0.778 CB 1.232 19 residues pruned to eliminate duplicates Z: 29 16.432 1.777 0.568 0.531 0.786 0.321 CA 1.375 29 residues pruned to eliminate duplicates Z: 22 19.179 1.890 0.749 0.701 0.857 0.524 CB 1.231 22 residues pruned to eliminate duplicates Z: 15 14.776 1.862 0.677 0.691 0.857 0.500 CB 1.239 15 residues pruned to eliminate duplicates Z: 29 14.336 1.834 0.385 0.555 0.821 0.464 CB 1.230 29 residues pruned to eliminate duplicates Z: 34 14.256 1.870 0.498 0.497 0.697 0.576 CB 1.275 37 residues pruned to eliminate duplicates Z: 6 5.946 1.622 0.529 0.373 1.000 0.800 CB 1.227 Z: 16 22.041 1.873 0.594 0.816 1.000 0.600 CB 1.448 16 residues pruned to eliminate duplicates Z: 17 15.487 1.831 0.239 0.790 1.000 0.812 CA 1.323 17 residues pruned to eliminate duplicates Z: 29 18.498 1.702 0.648 0.576 0.893 0.536 CA 1.297 29 residues pruned to eliminate duplicates Z: 22 17.284 1.772 0.655 0.713 0.810 0.429 CB 1.309 22 residues pruned to eliminate duplicates Z: 27 19.328 1.844 0.485 0.685 0.885 0.692 CB 1.321 27 residues pruned to eliminate duplicates Z: 26 18.372 1.840 0.338 0.709 0.920 0.680 CB 1.342 26 residues pruned to eliminate duplicates Z: 25 22.146 1.794 0.668 0.688 0.958 0.625 CB 1.327 25 residues pruned to eliminate duplicates Z: 32 15.359 1.740 0.508 0.509 0.839 0.516 CB 1.242 32 residues pruned to eliminate duplicates Z: 21 17.730 1.744 0.649 0.659 0.900 0.600 N 1.321 27 residues pruned to eliminate duplicates Z: 17 19.545 1.793 0.766 0.753 0.938 0.562 CB 1.314 17 residues pruned to eliminate duplicates Z: 28 16.451 1.810 0.539 0.508 0.963 0.370 CB 1.170 28 residues pruned to eliminate duplicates Z: 28 18.446 1.872 0.414 0.559 0.963 0.444 CB 1.315 28 residues pruned to eliminate duplicates Z: 31 19.485 1.853 0.478 0.562 0.933 0.533 CB 1.311 31 residues pruned to eliminate duplicates Z: 20 14.349 1.884 0.688 0.527 0.789 0.316 CB 1.277 20 residues pruned to eliminate duplicates Z: 17 16.443 1.943 0.612 0.624 0.875 0.375 CB 1.334 17 residues pruned to eliminate duplicates Z: 31 19.218 1.849 0.399 0.576 0.933 0.433 CB 1.350 31 residues pruned to eliminate duplicates Z: 25 19.980 1.858 0.581 0.530 1.000 0.458 CB 1.348 25 residues pruned to eliminate duplicates Z: 42 19.795 1.791 0.476 0.581 0.878 0.537 CB 1.232 42 residues pruned to eliminate duplicates Z: 50 20.570 1.789 0.489 0.593 0.857 0.633 CB 1.178 50 residues pruned to eliminate duplicates Z: 40 20.907 1.785 0.453 0.547 0.949 0.410 CA 1.300 40 residues pruned to eliminate duplicates Z: 36 22.460 1.834 0.577 0.583 0.914 0.686 CB 1.326 42 residues pruned to eliminate duplicates Z: 12 17.415 1.742 0.687 0.839 1.000 0.727 CA 1.334 12 residues pruned to eliminate duplicates Z: 13 14.571 1.669 0.699 0.794 0.917 0.583 CB 1.250 13 residues pruned to eliminate duplicates Z: 13 11.463 1.724 0.657 0.718 0.833 0.750 CB 1.141 13 residues pruned to eliminate duplicates Z: 41 22.407 1.838 0.527 0.585 0.950 0.525 CB 1.225 41 residues pruned to eliminate duplicates Z: 13 13.929 1.814 0.591 0.676 0.917 0.500 CB 1.293 13 residues pruned to eliminate duplicates Z: 39 17.910 1.793 0.579 0.539 0.816 0.500 CB 1.210 39 residues pruned to eliminate duplicates Z: 13 10.440 1.616 0.612 0.709 0.833 0.583 CB 1.148 13 residues pruned to eliminate duplicates Z: 14 9.793 1.655 0.594 0.658 0.769 0.538 CB 1.156 14 residues pruned to eliminate duplicates Z: 14 13.025 1.720 0.553 0.661 1.000 0.769 CB 1.165 14 residues pruned to eliminate duplicates Z: 17 6.674 1.640 0.475 0.470 0.812 0.438 CB 0.875 15 residues pruned to eliminate duplicates Z: 13 9.616 1.769 0.328 0.808 0.917 0.583 CB 0.986 13 residues pruned to eliminate duplicates Z: 19 9.283 1.715 0.436 0.600 0.889 0.389 CB 0.909 19 residues pruned to eliminate duplicates Z: 13 9.154 1.831 0.310 0.744 0.917 0.583 CB 0.966 13 residues pruned to eliminate duplicates Z: 18 8.818 1.751 0.251 0.574 0.941 0.412 CB 0.966 18 residues pruned to eliminate duplicates Z: 18 7.475 1.744 0.228 0.580 0.824 0.471 CB 0.951 18 residues pruned to eliminate duplicates Z: 17 9.265 1.796 0.425 0.622 0.875 0.375 CB 0.922 17 residues pruned to eliminate duplicates Z: 18 8.473 1.680 0.391 0.601 0.941 0.529 CB 0.849 18 residues pruned to eliminate duplicates Z: 12 10.395 1.827 0.524 0.695 0.909 0.636 CB 1.036 12 residues pruned to eliminate duplicates Z: 19 9.867 1.703 0.507 0.558 0.944 0.444 CB 0.907 19 residues pruned to eliminate duplicates Z: 18 12.811 1.717 0.560 0.692 1.000 0.353 CB 0.973 18 residues pruned to eliminate duplicates Z: 13 14.106 1.846 0.680 0.819 1.000 0.583 CB 0.996 13 residues pruned to eliminate duplicates Z: 11 7.614 1.556 0.452 0.810 1.000 0.900 CB 0.814 11 residues pruned to eliminate duplicates Z: 10 10.323 1.738 0.624 0.906 1.000 0.889 CB 0.867 9 residues pruned to eliminate duplicates Z: 8 12.863 1.753 0.893 0.904 1.000 0.714 CA 1.044 9 residues pruned to eliminate duplicates Z: 8 12.171 1.689 1.120 0.902 1.000 0.714 CA 0.916 8 residues pruned to eliminate duplicates Z: 10 12.612 1.753 0.798 0.902 1.000 0.889 CA 0.951 10 residues pruned to eliminate duplicates Z: 9 9.888 1.549 0.881 0.837 1.000 0.875 CB 0.897 8 residues pruned to eliminate duplicates Z: 8 10.363 1.698 0.834 0.896 0.857 0.714 CA 1.051 9 residues pruned to eliminate duplicates Z: 11 8.668 1.659 0.391 0.829 1.000 0.700 CB 0.894 11 residues pruned to eliminate duplicates Z: 10 13.851 1.787 0.651 0.918 1.000 0.889 CB 1.103 10 residues pruned to eliminate duplicates Z: 10 11.772 1.798 0.323 0.890 1.000 0.778 CB 1.186 10 residues pruned to eliminate duplicates Z: 24 12.953 1.790 0.443 0.527 0.913 0.609 CB 1.115 24 residues pruned to eliminate duplicates Z: 23 13.351 1.842 0.420 0.557 0.955 0.591 CB 1.078 23 residues pruned to eliminate duplicates Z: 27 13.820 1.778 0.462 0.529 0.923 0.500 CB 1.098 27 residues pruned to eliminate duplicates Z: 12 9.386 1.663 0.385 0.820 0.909 0.727 CB 1.024 12 residues pruned to eliminate duplicates Z: 10 10.464 1.740 0.476 0.857 0.889 0.778 CB 1.127 10 residues pruned to eliminate duplicates Z: 22 13.329 1.852 0.337 0.579 0.952 0.714 CB 1.143 22 residues pruned to eliminate duplicates Z: 11 14.218 1.786 0.529 0.904 1.000 0.700 CB 1.172 11 residues pruned to eliminate duplicates Z: 21 9.927 1.742 0.384 0.529 0.850 0.600 CB 1.053 21 residues pruned to eliminate duplicates Z: 23 14.779 1.840 0.497 0.566 0.955 0.591 CB 1.124 23 residues pruned to eliminate duplicates Z: 16 12.368 1.786 0.454 0.695 0.933 0.600 CB 1.103 16 residues pruned to eliminate duplicates Z: 17 8.247 1.831 0.360 0.298 0.875 0.562 CB 1.185 16 residues pruned to eliminate duplicates Z: 6 4.447 1.628 0.535 0.364 0.800 0.200 CA 1.152 6 residues pruned to eliminate duplicates Z: 25 16.050 1.821 0.571 0.595 0.958 0.542 CB 1.091 26 residues pruned to eliminate duplicates Z: 7 5.507 1.598 0.306 0.452 1.000 0.667 CB 1.132 7 residues pruned to eliminate duplicates Z: 24 13.937 1.808 0.586 0.553 0.957 0.652 CB 1.007 24 residues pruned to eliminate duplicates Z: 25 13.542 1.803 0.637 0.539 0.875 0.667 CB 1.030 25 residues pruned to eliminate duplicates Z: 28 11.143 1.708 0.480 0.393 0.852 0.407 CB 1.116 28 residues pruned to eliminate duplicates Z: 14 10.290 1.865 0.456 0.408 1.000 0.846 CB 1.157 14 residues pruned to eliminate duplicates Z: 24 13.755 1.821 0.542 0.560 0.957 0.565 CB 1.007 24 residues pruned to eliminate duplicates Z: 13 7.371 1.773 0.482 0.261 1.000 0.417 CB 1.064 13 residues pruned to eliminate duplicates Z: 14 8.636 1.838 0.329 0.339 0.923 0.692 CB 1.265 14 residues pruned to eliminate duplicates Z: 33 14.595 1.817 0.293 0.542 0.812 0.500 CB 1.297 33 residues pruned to eliminate duplicates Z: 24 17.980 1.932 0.587 0.564 0.957 0.652 CB 1.202 24 residues pruned to eliminate duplicates Z: 33 21.383 1.935 0.575 0.575 1.000 0.562 CB 1.154 33 residues pruned to eliminate duplicates Z: 24 19.173 1.944 0.679 0.560 0.826 0.478 CB 1.398 24 residues pruned to eliminate duplicates Z: 36 19.333 1.897 0.512 0.484 0.914 0.543 CB 1.266 36 residues pruned to eliminate duplicates Z: 14 12.638 1.882 0.715 0.333 0.923 0.308 CA 1.412 14 residues pruned to eliminate duplicates Z: 11 13.752 1.954 0.696 0.432 1.000 0.500 CA 1.409 11 residues pruned to eliminate duplicates Z: 29 22.664 1.933 0.692 0.575 0.893 0.536 CB 1.365 29 residues pruned to eliminate duplicates Z: 17 11.587 1.928 0.739 0.314 0.812 0.438 CA 1.307 17 residues pruned to eliminate duplicates Z: 28 23.365 1.956 0.658 0.587 0.926 0.593 CB 1.378 29 residues pruned to eliminate duplicates Z: 24 16.620 1.831 0.428 0.689 0.826 0.522 CB 1.349 24 residues pruned to eliminate duplicates Z: 20 20.388 1.965 0.646 0.699 0.947 0.684 CB 1.273 20 residues pruned to eliminate duplicates Z: 30 21.210 1.900 0.680 0.587 0.897 0.552 CB 1.266 30 residues pruned to eliminate duplicates Z: 27 21.838 1.918 0.755 0.586 0.923 0.769 CB 1.269 27 residues pruned to eliminate duplicates Z: 24 19.777 1.941 0.671 0.611 0.913 0.652 CB 1.253 24 residues pruned to eliminate duplicates Z: 29 19.707 1.895 0.591 0.589 0.929 0.607 CB 1.221 29 residues pruned to eliminate duplicates Z: 29 21.031 1.906 0.537 0.539 0.929 0.464 CA 1.407 29 residues pruned to eliminate duplicates Z: 25 14.370 1.852 0.503 0.594 0.875 0.750 CB 1.101 25 residues pruned to eliminate duplicates Z: 25 22.434 1.927 0.604 0.607 1.000 0.625 CB 1.338 25 residues pruned to eliminate duplicates Z: 28 22.717 1.927 0.725 0.616 0.889 0.704 CB 1.326 28 residues pruned to eliminate duplicates Z: 26 18.836 1.872 0.589 0.567 0.960 0.560 CB 1.237 26 residues pruned to eliminate duplicates Z: 55 28.792 1.881 0.599 0.576 0.926 0.611 CB 1.308 55 residues pruned to eliminate duplicates Z: 43 21.124 1.844 0.609 0.453 0.881 0.500 CB 1.309 43 residues pruned to eliminate duplicates Z: 27 20.430 1.928 0.816 0.477 0.923 0.577 CB 1.269 27 residues pruned to eliminate duplicates Z: 36 24.715 1.900 0.693 0.538 0.886 0.571 CB 1.413 36 residues pruned to eliminate duplicates Z: 17 12.427 1.727 0.783 0.417 0.875 0.438 CB 1.258 17 residues pruned to eliminate duplicates Z: 20 12.590 1.728 0.388 0.496 0.895 0.526 CB 1.352 20 residues pruned to eliminate duplicates Z: 16 13.120 1.771 0.610 0.495 0.867 0.600 CB 1.378 16 residues pruned to eliminate duplicates Z: 18 15.118 1.789 0.552 0.499 1.000 0.529 CA 1.321 18 residues pruned to eliminate duplicates Z: 15 14.374 1.837 0.515 0.597 1.000 0.786 CA 1.258 15 residues pruned to eliminate duplicates Z: 34 20.134 1.843 0.512 0.567 0.909 0.667 CA 1.297 34 residues pruned to eliminate duplicates Z: 22 13.715 1.701 0.673 0.544 0.810 0.476 CA 1.245 22 residues pruned to eliminate duplicates Z: 18 12.208 1.811 0.644 0.354 0.824 0.647 CB 1.414 18 residues pruned to eliminate duplicates Z: 22 9.441 1.643 0.588 0.248 0.857 0.524 CB 1.231 22 residues pruned to eliminate duplicates Z: 43 20.239 1.822 0.455 0.494 0.905 0.524 CA 1.310 43 residues pruned to eliminate duplicates Z: 40 22.290 1.816 0.561 0.546 0.872 0.641 CA 1.381 40 residues pruned to eliminate duplicates Z: 35 16.170 1.811 0.350 0.520 0.912 0.588 CB 1.219 35 residues pruned to eliminate duplicates Z: 17 11.287 1.815 0.477 0.334 0.938 0.375 CB 1.345 17 residues pruned to eliminate duplicates Z: 28 16.220 1.789 0.552 0.491 0.889 0.593 CB 1.276 28 residues pruned to eliminate duplicates Z: 59 23.855 1.868 0.411 0.511 0.879 0.621 CB 1.337 59 residues pruned to eliminate duplicates Z: 60 27.647 1.850 0.513 0.515 0.915 0.627 CB 1.384 60 residues pruned to eliminate duplicates Z: 29 19.513 1.838 0.454 0.647 0.964 0.714 CB 1.247 29 residues pruned to eliminate duplicates Z: 30 13.330 1.736 0.470 0.316 0.897 0.517 CB 1.325 30 residues pruned to eliminate duplicates Z: 60 26.700 1.857 0.582 0.516 0.915 0.644 CB 1.272 60 residues pruned to eliminate duplicates Z: 36 23.558 1.852 0.567 0.605 0.914 0.686 CA 1.357 36 residues pruned to eliminate duplicates Z: 39 20.565 1.814 0.546 0.550 0.868 0.737 CB 1.305 39 residues pruned to eliminate duplicates Z: 39 22.744 1.828 0.615 0.599 0.868 0.684 CA 1.310 39 residues pruned to eliminate duplicates Z: 45 18.610 1.777 0.479 0.476 0.864 0.636 CB 1.266 45 residues pruned to eliminate duplicates Z: 77 29.267 1.890 0.549 0.520 0.868 0.553 CB 1.294 77 residues pruned to eliminate duplicates Z: 16 18.018 1.877 0.516 0.856 0.933 0.867 CA 1.291 16 residues pruned to eliminate duplicates Z: 16 17.492 1.902 0.469 0.862 0.933 0.867 CA 1.271 16 residues pruned to eliminate duplicates Z: 41 20.882 1.833 0.393 0.523 0.925 0.625 CB 1.367 41 residues pruned to eliminate duplicates Z: 58 23.579 1.851 0.582 0.491 0.860 0.632 CB 1.252 58 residues pruned to eliminate duplicates Z: 38 21.969 1.798 0.561 0.602 0.919 0.703 CB 1.270 38 residues pruned to eliminate duplicates Z: 56 28.522 1.879 0.609 0.558 0.909 0.618 CB 1.322 56 residues pruned to eliminate duplicates Z: 39 30.302 1.922 0.722 0.650 0.947 0.842 CB 1.364 39 residues pruned to eliminate duplicates Z: 25 17.148 1.815 0.608 0.565 0.917 0.792 CB 1.229 25 residues pruned to eliminate duplicates Z: 45 27.272 1.909 0.681 0.564 0.886 0.659 CB 1.359 45 residues pruned to eliminate duplicates Z: 78 32.940 1.910 0.598 0.486 0.922 0.636 CB 1.353 78 residues pruned to eliminate duplicates Z: 28 20.663 1.844 0.680 0.573 0.889 0.630 CB 1.345 28 residues pruned to eliminate duplicates Z: 33 14.247 1.830 0.455 0.406 0.875 0.531 CB 1.193 42 residues pruned to eliminate duplicates Z: 31 19.825 1.900 0.630 0.556 0.833 0.667 CB 1.328 31 residues pruned to eliminate duplicates Z: 30 18.009 1.891 0.551 0.504 0.828 0.483 CB 1.371 30 residues pruned to eliminate duplicates Z: 31 21.001 1.901 0.632 0.495 0.900 0.533 CA 1.381 31 residues pruned to eliminate duplicates Z: 25 18.574 1.929 0.642 0.544 0.875 0.667 CB 1.311 25 residues pruned to eliminate duplicates Z: 31 20.092 1.945 0.624 0.525 0.833 0.567 CB 1.358 31 residues pruned to eliminate duplicates Z: 33 20.569 1.873 0.611 0.578 0.906 0.688 CB 1.233 33 residues pruned to eliminate duplicates Z: 51 25.279 1.934 0.506 0.535 0.920 0.660 CB 1.290 51 residues pruned to eliminate duplicates Z: 30 19.375 1.920 0.597 0.515 0.897 0.483 CB 1.289 30 residues pruned to eliminate duplicates Z: 32 22.378 1.909 0.649 0.511 0.935 0.516 CB 1.351 32 residues pruned to eliminate duplicates Z: 32 21.641 1.961 0.559 0.462 0.935 0.677 CB 1.412 32 residues pruned to eliminate duplicates Z: 43 16.192 1.855 0.537 0.380 0.833 0.595 CB 1.195 43 residues pruned to eliminate duplicates Z: 34 17.517 1.900 0.496 0.418 0.879 0.576 CB 1.330 34 residues pruned to eliminate duplicates Z: 31 20.356 1.908 0.508 0.481 0.900 0.700 CB 1.463 31 residues pruned to eliminate duplicates Z: 14 11.350 1.827 0.772 0.405 0.846 0.615 CA 1.270 23 residues pruned to eliminate duplicates Z: 31 20.192 1.957 0.613 0.487 0.867 0.633 CB 1.366 31 residues pruned to eliminate duplicates Z: 60 24.127 1.871 0.561 0.478 0.864 0.610 CB 1.272 60 residues pruned to eliminate duplicates Z: 22 17.239 2.025 0.449 0.451 0.952 0.524 CB 1.416 22 residues pruned to eliminate duplicates Z: 35 15.819 1.924 0.514 0.379 0.853 0.559 CB 1.242 35 residues pruned to eliminate duplicates Z: 33 19.405 1.916 0.640 0.426 0.875 0.500 CB 1.347 33 residues pruned to eliminate duplicates Z: 44 15.739 1.837 0.564 0.403 0.767 0.465 CB 1.206 44 residues pruned to eliminate duplicates Z: 13 5.575 1.810 0.129 0.286 0.833 0.417 CB 1.202 13 residues pruned to eliminate duplicates Z: 21 15.040 1.863 0.510 0.512 0.850 0.650 CB 1.390 21 residues pruned to eliminate duplicates Z: 19 12.735 1.867 0.394 0.570 0.889 0.556 CA 1.213 19 residues pruned to eliminate duplicates Z: 20 9.136 1.742 0.242 0.443 0.842 0.579 CB 1.219 20 residues pruned to eliminate duplicates Z: 19 15.039 1.853 0.429 0.665 0.944 0.833 CB 1.217 19 residues pruned to eliminate duplicates Z: 16 8.668 1.853 0.228 0.569 0.800 0.600 CA 1.149 16 residues pruned to eliminate duplicates Z: 15 8.290 1.834 0.186 0.532 0.857 0.714 CA 1.152 15 residues pruned to eliminate duplicates Z: 20 14.825 1.869 0.507 0.550 0.895 0.526 CB 1.285 20 residues pruned to eliminate duplicates Z: 51 24.392 1.891 0.621 0.539 0.860 0.600 CB 1.259 51 residues pruned to eliminate duplicates Z: 16 21.475 1.888 0.771 0.831 0.867 0.800 CA 1.437 16 residues pruned to eliminate duplicates Z: 26 21.230 1.864 0.645 0.682 0.880 0.600 CB 1.331 26 residues pruned to eliminate duplicates Z: 18 19.209 1.892 0.627 0.741 0.882 0.588 CB 1.382 18 residues pruned to eliminate duplicates Z: 43 26.648 1.912 0.612 0.566 0.929 0.595 CB 1.348 43 residues pruned to eliminate duplicates Z: 28 16.008 1.733 0.603 0.583 0.852 0.519 CB 1.202 28 residues pruned to eliminate duplicates Z: 17 21.914 1.891 0.804 0.771 0.938 0.688 CB 1.347 17 residues pruned to eliminate duplicates Z: 24 18.587 1.875 0.742 0.572 0.870 0.609 CB 1.273 23 residues pruned to eliminate duplicates Z: 18 17.277 1.799 0.808 0.752 0.824 0.471 CB 1.249 18 residues pruned to eliminate duplicates Z: 53 23.842 1.883 0.649 0.483 0.885 0.558 CB 1.224 53 residues pruned to eliminate duplicates Z: 16 9.719 1.758 0.431 0.478 0.867 0.467 CB 1.177 16 residues pruned to eliminate duplicates Z: 17 9.665 1.789 0.437 0.507 0.812 0.438 CB 1.149 17 residues pruned to eliminate duplicates Z: 26 17.650 1.892 0.659 0.561 0.840 0.600 CB 1.261 26 residues pruned to eliminate duplicates Z: 16 8.230 1.772 0.440 0.450 0.800 0.467 CB 1.096 16 residues pruned to eliminate duplicates Z: 15 10.556 1.881 0.406 0.550 0.857 0.571 CB 1.185 15 residues pruned to eliminate duplicates Z: 11 9.025 1.838 0.443 0.437 0.900 0.800 CA 1.277 11 residues pruned to eliminate duplicates Z: 18 8.554 1.781 0.234 0.404 0.824 0.412 CA 1.269 15 residues pruned to eliminate duplicates Z: 9 8.553 1.615 0.675 0.693 0.875 0.625 CA 1.070 6 residues pruned to eliminate duplicates Z: 10 7.205 1.503 0.444 0.697 0.889 0.444 CA 1.040 10 residues pruned to eliminate duplicates Z: 72 32.582 1.897 0.512 0.522 0.901 0.662 CB 1.464 72 residues pruned to eliminate duplicates Z: 31 28.705 2.030 0.465 0.656 0.967 0.633 CA 1.576 31 residues pruned to eliminate duplicates Z: 48 25.974 1.926 0.479 0.577 0.915 0.660 CB 1.350 48 residues pruned to eliminate duplicates Z: 56 32.388 1.878 0.569 0.621 0.927 0.655 CB 1.426 56 residues pruned to eliminate duplicates Z: 22 20.709 2.079 0.448 0.663 0.905 0.619 CB 1.426 22 residues pruned to eliminate duplicates Z: 24 18.202 1.958 0.334 0.607 0.957 0.609 CB 1.372 24 residues pruned to eliminate duplicates Z: 22 25.413 2.093 0.644 0.657 0.952 0.714 CB 1.463 22 residues pruned to eliminate duplicates Z: 20 16.075 1.982 0.314 0.653 0.842 0.737 CB 1.458 20 residues pruned to eliminate duplicates Z: 32 19.347 1.885 0.535 0.518 0.839 0.581 CA 1.407 32 residues pruned to eliminate duplicates Z: 35 23.317 1.940 0.539 0.580 0.853 0.647 CB 1.454 35 residues pruned to eliminate duplicates Z: 23 23.211 2.042 0.705 0.641 0.909 0.591 CB 1.369 23 residues pruned to eliminate duplicates Z: 33 28.714 1.977 0.730 0.607 0.938 0.656 CB 1.431 33 residues pruned to eliminate duplicates Z: 21 30.622 2.090 0.906 0.725 0.950 0.850 CB 1.478 21 residues pruned to eliminate duplicates Z: 32 30.008 1.964 0.721 0.621 0.935 0.774 CB 1.521 32 residues pruned to eliminate duplicates Z: 32 31.399 1.993 0.722 0.640 0.968 0.677 CB 1.489 32 residues pruned to eliminate duplicates Z: 32 31.382 1.988 0.765 0.644 0.968 0.645 CB 1.451 32 residues pruned to eliminate duplicates Z: 22 23.592 2.018 0.691 0.683 0.952 0.524 CB 1.339 22 residues pruned to eliminate duplicates Z: 23 25.481 1.987 0.814 0.664 0.955 0.773 CB 1.356 23 residues pruned to eliminate duplicates Z: 33 28.196 1.950 0.709 0.599 0.969 0.719 CB 1.404 33 residues pruned to eliminate duplicates Z: 22 30.014 2.044 0.896 0.695 0.952 0.810 CB 1.485 22 residues pruned to eliminate duplicates Z: 33 28.941 1.988 0.623 0.629 0.969 0.656 CB 1.450 33 residues pruned to eliminate duplicates Z: 33 28.742 1.970 0.616 0.625 0.969 0.719 CB 1.465 33 residues pruned to eliminate duplicates Z: 33 28.658 1.974 0.652 0.628 0.906 0.688 CA 1.519 33 residues pruned to eliminate duplicates Z: 31 30.259 1.992 0.722 0.653 0.900 0.667 CB 1.552 31 residues pruned to eliminate duplicates Z: 39 23.982 1.897 0.781 0.517 0.895 0.421 CB 1.266 39 residues pruned to eliminate duplicates Z: 14 9.341 1.706 0.677 0.506 0.923 0.769 CB 0.975 14 residues pruned to eliminate duplicates Z: 15 11.415 1.759 0.586 0.472 0.929 0.786 CB 1.212 15 residues pruned to eliminate duplicates Z: 35 25.478 1.943 0.555 0.641 1.000 0.647 CB 1.267 35 residues pruned to eliminate duplicates Z: 29 18.236 1.777 0.496 0.586 0.964 0.750 CB 1.238 29 residues pruned to eliminate duplicates Z: 52 26.428 1.892 0.459 0.624 0.941 0.686 CB 1.267 52 residues pruned to eliminate duplicates Z: 12 8.822 1.807 0.408 0.459 0.909 0.727 CA 1.199 12 residues pruned to eliminate duplicates Z: 17 7.523 1.710 0.346 0.412 0.875 0.438 CB 1.024 17 residues pruned to eliminate duplicates Z: 11 14.837 2.000 0.395 0.791 1.000 0.400 CB 1.303 9 residues pruned to eliminate duplicates Z: 10 11.828 1.815 0.382 0.783 1.000 0.556 CB 1.224 10 residues pruned to eliminate duplicates Z: 12 12.528 1.946 0.653 0.611 0.909 0.545 CB 1.163 12 residues pruned to eliminate duplicates Z: 12 14.878 2.001 0.452 0.707 1.000 0.455 CB 1.279 11 residues pruned to eliminate duplicates Z: 11 13.450 1.851 0.435 0.807 1.000 0.500 CB 1.226 11 residues pruned to eliminate duplicates Z: 17 9.842 1.759 0.331 0.556 0.938 0.688 CB 1.062 17 residues pruned to eliminate duplicates Z: 19 11.811 1.833 0.449 0.566 0.944 0.667 CB 1.041 11 residues pruned to eliminate duplicates Z: 10 12.928 2.013 0.426 0.858 0.889 0.667 CB 1.244 10 residues pruned to eliminate duplicates Z: 10 14.567 1.951 0.684 0.775 0.889 0.333 CB 1.304 10 residues pruned to eliminate duplicates 936 residues left after pruning, divided into chains as follows: A: 16 B: 8 C: 7 D: 9 E: 10 F: 14 G: 6 H: 7 I: 16 J: 29 K: 14 L: 19 M: 22 N: 10 O: 18 P: 16 Q: 6 R: 29 S: 14 T: 24 U: 21 V: 10 W: 12 X: 88 Y: 44 Z: 16 Z: 203 Z: 20 Z: 9 Z: 26 Z: 173 Z: 20 CC for partial structure against native data = 34.19 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.439, Connect. = 0.706 for dens.mod. cycle 1 = 0.300, Contrast = 0.499, Connect. = 0.728 for dens.mod. cycle 2 = 0.300, Contrast = 0.586, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.592, Connect. = 0.758 for dens.mod. cycle 4 = 0.300, Contrast = 0.598, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.602, Connect. = 0.762 for dens.mod. cycle 6 = 0.300, Contrast = 0.605, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.607, Connect. = 0.765 for dens.mod. cycle 8 = 0.300, Contrast = 0.608, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.609, Connect. = 0.767 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 4728 peaks > 0.5 sigma used to seed fragment search Space for about 1487 unique residues taking solvent into account 1155 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 25.312 1.735 0.756 0.891 1.000 0.824 CA 1.448 B: 11 7.807 1.759 0.013 0.901 0.900 0.900 CB 1.099 C: 15 24.065 2.029 0.909 0.813 0.929 0.857 CB 1.361 D: 18 24.422 2.018 0.535 0.807 1.000 0.647 CB 1.463 15 residues pruned to eliminate duplicates E: 10 12.904 1.847 0.562 0.804 1.000 0.556 CA 1.143 F: 13 27.860 1.984 0.891 0.922 0.917 0.667 CA 1.645 16 residues pruned to eliminate duplicates G: 15 16.686 1.932 0.510 0.826 0.929 0.643 CA 1.242 H: 13 18.131 1.830 0.449 0.925 1.000 1.000 CB 1.385 I: 10 7.018 1.746 0.207 0.709 0.778 0.667 CB 1.180 J: 11 11.106 1.905 0.405 0.781 0.900 0.800 CB 1.138 K: 19 20.472 1.957 0.503 0.808 0.889 0.611 CB 1.410 19 residues pruned to eliminate duplicates L: 24 14.598 1.857 0.427 0.595 0.913 0.565 CB 1.149 M: 18 24.218 1.999 0.532 0.772 0.941 0.706 CB 1.601 18 residues pruned to eliminate duplicates N: 18 17.485 1.680 0.598 0.931 1.000 0.706 CB 1.104 O: 15 21.575 1.817 0.733 0.884 0.929 0.786 CB 1.425 P: 11 17.460 1.947 0.486 0.841 1.000 0.800 N 1.424 11 residues pruned to eliminate duplicates Q: 10 7.853 1.638 0.431 0.889 0.889 0.778 CB 0.904 R: 11 12.987 1.917 0.461 0.863 1.000 0.700 CB 1.077 11 residues pruned to eliminate duplicates S: 14 11.767 1.927 0.518 0.396 0.846 0.385 CA 1.472 T: 8 12.126 1.836 0.577 0.845 1.000 1.000 CA 1.177 U: 7 5.090 1.806 0.178 0.440 0.833 0.667 N 1.247 7 residues pruned to eliminate duplicates V: 13 7.962 1.736 0.458 0.557 0.750 0.500 CA 1.145 10 residues pruned to eliminate duplicates W: 11 13.804 1.918 0.624 0.813 1.000 0.700 CB 1.067 X: 14 24.711 1.921 0.951 0.897 1.000 0.769 CA 1.309 Y: 19 12.911 1.920 0.684 0.356 0.833 0.556 CB 1.320 Z: 17 24.428 2.050 0.628 0.821 0.938 0.625 CB 1.477 18 residues pruned to eliminate duplicates Z: 9 7.773 1.703 0.673 0.521 0.750 0.500 N 1.260 Z: 10 6.144 1.721 0.322 0.791 0.889 0.667 CB 0.785 10 residues pruned to eliminate duplicates Z: 12 11.009 1.931 0.450 0.756 0.818 0.727 CB 1.153 12 residues pruned to eliminate duplicates Z: 26 20.877 1.959 0.568 0.449 0.960 0.560 CB 1.492 10 residues pruned to eliminate duplicates Z: 11 11.351 1.852 0.387 0.738 1.000 0.700 CA 1.129 11 residues pruned to eliminate duplicates Z: 18 9.048 1.808 0.376 0.497 0.824 0.529 CB 1.074 Z: 6 6.312 1.794 0.225 0.526 1.000 0.600 CB 1.252 Z: 17 19.468 1.716 0.543 0.932 1.000 0.938 CA 1.283 Z: 42 26.594 1.970 0.542 0.591 0.902 0.683 CB 1.388 27 residues pruned to eliminate duplicates Z: 6 4.384 1.857 0.154 0.591 0.800 0.800 CB 1.048 7 residues pruned to eliminate duplicates Z: 22 18.372 1.887 0.476 0.635 0.857 0.619 CB 1.480 14 residues pruned to eliminate duplicates Z: 8 9.850 2.052 0.059 0.877 1.000 1.000 CB 1.244 8 residues pruned to eliminate duplicates Z: 15 18.495 1.794 0.737 0.849 0.857 0.571 CB 1.372 15 residues pruned to eliminate duplicates Z: 9 8.874 1.510 0.493 0.877 1.000 0.875 CA 1.010 Z: 13 21.934 1.988 0.465 0.911 1.000 0.917 CA 1.541 13 residues pruned to eliminate duplicates Z: 14 16.260 1.833 0.411 0.924 1.000 0.846 CB 1.224 15 residues pruned to eliminate duplicates Z: 13 10.117 1.760 0.444 0.465 0.833 0.667 CB 1.428 Z: 6 14.851 2.086 0.649 0.886 1.000 1.000 CB 1.393 6 residues pruned to eliminate duplicates Z: 17 24.608 1.816 0.570 0.934 1.000 0.938 CA 1.505 15 residues pruned to eliminate duplicates Z: 7 8.867 1.947 0.477 0.668 1.000 0.833 CB 1.077 7 residues pruned to eliminate duplicates Z: 20 13.947 1.756 0.695 0.728 0.789 0.526 CB 1.109 20 residues pruned to eliminate duplicates Z: 16 18.275 1.910 0.500 0.887 0.933 0.867 CA 1.272 14 residues pruned to eliminate duplicates Z: 12 18.796 1.877 0.922 0.894 0.818 0.636 CA 1.377 12 residues pruned to eliminate duplicates Z: 14 14.659 1.891 0.346 0.810 0.923 0.923 N 1.321 14 residues pruned to eliminate duplicates Z: 27 14.302 1.798 0.616 0.478 0.846 0.538 CB 1.166 27 residues pruned to eliminate duplicates Z: 12 14.796 1.908 0.431 0.876 1.000 0.727 CA 1.188 12 residues pruned to eliminate duplicates Z: 25 11.679 1.762 0.595 0.533 0.833 0.500 CB 0.985 Z: 19 17.731 1.636 0.673 0.863 0.944 0.667 CB 1.186 18 residues pruned to eliminate duplicates Z: 14 4.226 1.596 0.209 0.238 0.846 0.231 CB 0.972 Z: 29 12.438 1.761 0.340 0.429 0.857 0.571 CB 1.250 29 residues pruned to eliminate duplicates Z: 8 2.689 1.549 0.023 0.205 0.857 0.571 CB 1.062 Z: 11 9.710 1.651 0.226 0.755 0.900 0.600 CB 1.344 Z: 7 4.235 1.505 0.841 0.377 0.667 0.500 O 1.067 Z: 7 5.208 1.617 0.154 0.818 0.833 0.667 CA 1.037 7 residues pruned to eliminate duplicates Z: 7 8.129 1.921 0.399 0.816 0.667 0.500 CA 1.408 7 residues pruned to eliminate duplicates Z: 11 11.457 1.880 0.165 0.713 1.000 0.800 CB 1.364 11 residues pruned to eliminate duplicates Z: 11 15.698 1.977 0.492 0.841 1.000 0.800 CA 1.255 12 residues pruned to eliminate duplicates Z: 13 18.196 1.881 0.412 0.934 1.000 1.000 CA 1.379 13 residues pruned to eliminate duplicates Z: 15 16.067 1.923 0.414 0.861 0.929 0.786 CB 1.250 15 residues pruned to eliminate duplicates Z: 9 14.970 2.046 0.812 0.805 0.875 0.750 CB 1.251 9 residues pruned to eliminate duplicates Z: 7 8.374 1.852 0.460 0.526 0.833 0.500 CA 1.478 Z: 10 11.500 1.594 0.482 0.842 1.000 0.778 CB 1.210 Z: 6 8.079 1.708 0.664 0.803 1.000 0.800 CA 0.975 Z: 15 15.045 1.850 0.358 0.905 1.000 1.000 CB 1.139 15 residues pruned to eliminate duplicates Z: 8 9.511 1.818 0.485 0.625 0.857 0.571 CA 1.380 Z: 12 8.542 1.656 0.159 0.762 0.818 0.636 CB 1.300 12 residues pruned to eliminate duplicates Z: 6 4.766 1.916 0.204 0.668 0.800 0.800 CB 0.989 Z: 18 23.150 1.979 0.577 0.797 0.941 0.765 CB 1.474 18 residues pruned to eliminate duplicates Z: 15 15.018 1.736 0.655 0.880 1.000 0.786 CA 1.013 14 residues pruned to eliminate duplicates Z: 9 6.748 1.592 0.517 0.563 0.875 0.500 N 1.063 Z: 13 11.343 1.736 0.325 0.740 0.833 0.583 CA 1.378 Z: 16 24.616 1.830 0.622 0.926 1.000 0.933 CA 1.501 16 residues pruned to eliminate duplicates Z: 10 12.928 1.862 0.228 0.825 1.000 0.667 CA 1.422 Z: 10 4.110 1.720 0.586 0.350 0.667 0.444 CB 0.886 Z: 10 10.644 1.784 0.177 0.625 1.000 0.556 N 1.503 Z: 10 18.585 1.973 0.738 0.881 1.000 0.889 CA 1.309 10 residues pruned to eliminate duplicates Z: 6 8.753 1.660 0.247 0.815 1.000 1.000 CB 1.438 Z: 15 16.829 1.836 0.459 0.858 0.929 0.857 CA 1.331 15 residues pruned to eliminate duplicates Z: 11 12.824 1.838 0.556 0.693 1.000 0.800 CB 1.189 11 residues pruned to eliminate duplicates Z: 18 6.569 1.592 0.313 0.285 0.824 0.471 CB 1.179 9 residues pruned to eliminate duplicates Z: 15 23.168 1.943 0.661 0.880 0.857 0.714 CA 1.623 15 residues pruned to eliminate duplicates Z: 17 9.808 1.849 0.326 0.492 0.812 0.625 CB 1.241 20 residues pruned to eliminate duplicates Z: 8 9.334 1.869 0.193 0.797 0.857 0.857 CA 1.424 8 residues pruned to eliminate duplicates Z: 7 6.098 1.884 0.437 0.477 0.833 0.333 CB 1.130 7 residues pruned to eliminate duplicates Z: 6 7.106 1.632 0.059 0.816 1.000 1.000 CA 1.397 6 residues pruned to eliminate duplicates Z: 14 17.624 1.785 0.380 0.856 1.000 0.923 CA 1.464 14 residues pruned to eliminate duplicates Z: 19 20.411 1.697 0.780 0.798 0.944 0.778 CA 1.299 10 residues pruned to eliminate duplicates Z: 6 7.601 1.446 0.856 0.665 1.000 0.600 C 1.087 Z: 11 19.050 1.934 0.639 0.902 1.000 0.700 CA 1.355 11 residues pruned to eliminate duplicates Z: 13 9.673 1.789 0.120 0.740 0.917 0.667 CB 1.226 Z: 13 8.796 1.840 0.686 0.397 0.667 0.500 CB 1.369 13 residues pruned to eliminate duplicates Z: 17 19.863 1.726 0.540 0.887 1.000 0.875 CA 1.347 17 residues pruned to eliminate duplicates Z: 10 13.125 1.902 0.683 0.874 0.889 0.778 CB 1.119 10 residues pruned to eliminate duplicates Z: 9 6.336 1.720 -0.015 0.809 0.875 0.750 CB 1.154 8 residues pruned to eliminate duplicates Z: 8 3.338 1.290 0.515 0.867 0.857 0.571 CB 0.551 Z: 29 14.071 1.897 0.552 0.391 0.821 0.536 CB 1.233 18 residues pruned to eliminate duplicates Z: 13 7.011 1.720 0.266 0.450 0.833 0.417 CB 1.174 Z: 17 21.628 1.834 0.633 0.917 1.000 0.938 CB 1.275 19 residues pruned to eliminate duplicates Z: 13 23.081 1.911 0.768 0.907 1.000 0.917 CB 1.401 15 residues pruned to eliminate duplicates Z: 19 24.133 1.774 0.786 0.902 0.944 0.889 N 1.355 19 residues pruned to eliminate duplicates Z: 8 8.997 1.812 0.498 0.855 1.000 0.857 CB 0.924 8 residues pruned to eliminate duplicates Z: 25 10.012 1.764 0.436 0.349 0.792 0.500 CB 1.200 Z: 7 8.702 1.692 0.236 0.844 1.000 0.667 N 1.264 7 residues pruned to eliminate duplicates Z: 10 5.325 1.600 0.523 0.364 0.667 0.556 CA 1.265 10 residues pruned to eliminate duplicates Z: 8 9.029 1.896 1.080 0.889 0.857 0.714 CB 0.727 8 residues pruned to eliminate duplicates Z: 8 15.744 1.860 0.569 0.905 1.000 1.000 N 1.451 8 residues pruned to eliminate duplicates Z: 7 8.563 1.612 0.866 0.817 1.000 0.667 CA 0.883 7 residues pruned to eliminate duplicates Z: 14 19.650 1.863 0.449 0.892 1.000 0.923 CA 1.451 14 residues pruned to eliminate duplicates Z: 8 10.632 1.808 0.514 0.687 1.000 0.714 CB 1.237 Z: 10 12.083 1.926 0.217 0.722 0.889 0.667 CB 1.581 10 residues pruned to eliminate duplicates Z: 7 3.288 1.823 0.006 0.362 0.667 0.333 CB 1.273 7 residues pruned to eliminate duplicates Z: 6 5.913 1.853 0.206 0.695 0.800 0.800 CB 1.238 Z: 12 5.921 1.650 0.222 0.323 0.909 0.545 N 1.183 9 residues pruned to eliminate duplicates Z: 9 6.109 1.686 0.356 0.841 0.875 0.750 CB 0.805 9 residues pruned to eliminate duplicates Z: 8 14.611 1.965 0.842 0.849 1.000 0.857 CB 1.130 9 residues pruned to eliminate duplicates Z: 17 18.932 1.702 0.740 0.870 0.938 0.812 CA 1.244 17 residues pruned to eliminate duplicates Z: 15 28.112 1.937 0.692 0.909 1.000 0.714 CA 1.626 15 residues pruned to eliminate duplicates Z: 13 23.924 1.890 0.740 0.921 1.000 1.000 CB 1.478 12 residues pruned to eliminate duplicates Z: 11 12.442 1.787 0.539 0.730 0.900 0.700 CA 1.292 11 residues pruned to eliminate duplicates Z: 8 9.389 1.624 0.578 0.599 1.000 0.714 O 1.259 Z: 26 11.917 1.750 0.373 0.573 0.920 0.720 CB 1.005 24 residues pruned to eliminate duplicates Z: 14 18.309 1.860 0.464 0.920 1.000 0.846 CA 1.313 14 residues pruned to eliminate duplicates Z: 17 19.119 1.727 0.767 0.812 0.875 0.875 N 1.365 17 residues pruned to eliminate duplicates Z: 8 4.579 1.601 0.504 0.570 0.857 0.714 CB 0.784 Z: 17 25.365 2.061 0.441 0.853 1.000 0.875 CB 1.578 17 residues pruned to eliminate duplicates Z: 10 10.187 1.954 0.537 0.860 0.889 0.778 CB 0.935 10 residues pruned to eliminate duplicates Z: 10 7.737 1.740 0.107 0.669 1.000 0.667 CA 1.146 Z: 20 10.490 1.832 0.468 0.394 0.737 0.579 CB 1.359 Z: 7 6.481 1.660 0.508 0.569 0.833 0.333 CB 1.186 Z: 11 9.506 1.595 0.465 0.692 0.900 0.400 CB 1.199 Z: 8 12.058 2.033 0.520 0.800 1.000 0.857 CB 1.134 8 residues pruned to eliminate duplicates Z: 13 21.113 1.859 0.780 0.885 1.000 0.917 CA 1.330 5 residues pruned to eliminate duplicates Z: 15 17.057 1.824 0.555 0.900 0.929 0.929 CB 1.236 15 residues pruned to eliminate duplicates Z: 7 8.471 1.588 0.684 0.802 0.833 0.500 CA 1.192 7 residues pruned to eliminate duplicates Z: 10 11.828 1.963 0.793 0.803 0.889 0.556 CB 0.967 10 residues pruned to eliminate duplicates Z: 6 12.446 2.113 0.288 0.887 1.000 0.800 CA 1.474 6 residues pruned to eliminate duplicates Z: 18 15.778 1.881 0.599 0.775 0.941 0.529 CB 1.060 18 residues pruned to eliminate duplicates Z: 17 23.505 1.857 0.819 0.844 0.938 0.625 CA 1.381 17 residues pruned to eliminate duplicates Z: 22 15.117 1.771 0.634 0.742 0.810 0.619 CB 1.134 18 residues pruned to eliminate duplicates Z: 17 26.323 2.049 0.657 0.811 0.938 0.750 CA 1.577 17 residues pruned to eliminate duplicates Z: 20 8.386 1.676 0.453 0.528 0.684 0.421 CB 1.122 26 residues pruned to eliminate duplicates Z: 17 18.144 1.912 0.549 0.892 0.938 0.938 CA 1.173 17 residues pruned to eliminate duplicates Z: 14 10.762 1.721 0.486 0.514 0.846 0.692 CB 1.360 11 residues pruned to eliminate duplicates Z: 6 3.469 1.331 0.706 0.288 0.800 0.800 CB 1.084 Z: 10 18.209 2.002 0.646 0.899 1.000 0.889 CA 1.316 10 residues pruned to eliminate duplicates Z: 14 7.550 1.690 0.507 0.473 0.692 0.538 CB 1.222 10 residues pruned to eliminate duplicates Z: 36 21.162 1.867 0.534 0.539 0.943 0.543 CB 1.275 28 residues pruned to eliminate duplicates Z: 16 6.114 1.759 0.159 0.467 0.800 0.733 CB 1.000 Z: 15 18.258 1.786 0.662 0.918 0.929 0.929 CB 1.248 15 residues pruned to eliminate duplicates Z: 26 14.862 1.843 0.393 0.443 0.960 0.680 CB 1.279 23 residues pruned to eliminate duplicates Z: 17 15.657 1.890 0.381 0.761 0.875 0.688 CB 1.359 17 residues pruned to eliminate duplicates Z: 13 12.613 1.870 0.345 0.760 1.000 0.667 CB 1.149 Z: 7 6.485 1.548 0.423 0.842 0.833 0.667 O 1.074 Z: 9 8.301 1.754 0.486 0.569 0.875 0.500 CB 1.204 9 residues pruned to eliminate duplicates Z: 7 6.732 1.618 -0.015 0.825 1.000 0.833 N 1.301 Z: 7 4.803 1.808 0.032 0.445 0.833 0.667 CB 1.335 7 residues pruned to eliminate duplicates Z: 10 7.041 1.708 0.215 0.550 0.889 0.778 CB 1.213 12 residues pruned to eliminate duplicates Z: 12 15.324 1.667 0.512 0.854 1.000 0.909 CB 1.353 Z: 14 24.047 1.870 0.808 0.922 1.000 0.923 CA 1.386 14 residues pruned to eliminate duplicates Z: 18 15.567 1.796 0.473 0.858 0.941 0.824 CA 1.117 18 residues pruned to eliminate duplicates Z: 12 7.137 1.704 0.140 0.479 0.818 0.727 CB 1.384 12 residues pruned to eliminate duplicates Z: 16 23.508 1.793 0.732 0.909 1.000 0.933 CB 1.387 14 residues pruned to eliminate duplicates Z: 15 23.063 1.902 0.503 0.917 1.000 0.857 CA 1.522 15 residues pruned to eliminate duplicates Z: 7 9.077 1.813 0.188 0.748 1.000 0.833 CB 1.379 7 residues pruned to eliminate duplicates Z: 16 14.821 1.875 0.800 0.536 0.933 0.667 CB 1.173 7 residues pruned to eliminate duplicates Z: 13 22.961 1.952 0.594 0.912 1.000 0.833 CA 1.509 13 residues pruned to eliminate duplicates Z: 15 25.750 1.939 0.842 0.887 1.000 0.714 CA 1.389 17 residues pruned to eliminate duplicates Z: 18 22.299 1.791 0.811 0.873 1.000 0.882 CA 1.215 18 residues pruned to eliminate duplicates Z: 11 18.163 2.005 0.982 0.792 1.000 0.700 CB 1.119 11 residues pruned to eliminate duplicates Z: 13 6.832 1.715 0.434 0.743 0.833 0.667 CB 0.774 12 residues pruned to eliminate duplicates Z: 15 20.224 1.902 0.508 0.934 1.000 1.000 CB 1.314 15 residues pruned to eliminate duplicates Z: 18 18.590 1.811 0.630 0.826 0.824 0.529 CA 1.399 18 residues pruned to eliminate duplicates Z: 15 17.056 1.741 0.935 0.871 1.000 0.786 CA 0.987 15 residues pruned to eliminate duplicates Z: 16 22.933 1.892 0.754 0.865 1.000 0.867 CA 1.308 17 residues pruned to eliminate duplicates Z: 7 6.438 1.808 0.429 0.626 0.667 0.000 CB 1.355 7 residues pruned to eliminate duplicates Z: 13 8.509 1.798 0.284 0.376 1.000 0.583 CB 1.216 10 residues pruned to eliminate duplicates Z: 12 21.525 1.905 0.776 0.846 0.909 0.545 N 1.568 12 residues pruned to eliminate duplicates Z: 13 6.012 1.516 0.725 0.506 0.750 0.500 CB 0.880 11 residues pruned to eliminate duplicates Z: 20 12.870 1.897 0.381 0.427 0.895 0.632 CB 1.359 28 residues pruned to eliminate duplicates Z: 9 3.431 1.685 0.134 0.444 0.750 0.375 CB 0.897 Z: 16 17.086 1.855 0.409 0.894 1.000 1.000 CA 1.211 16 residues pruned to eliminate duplicates Z: 14 14.268 1.926 0.509 0.783 0.846 0.846 CB 1.255 14 residues pruned to eliminate duplicates Z: 16 16.315 1.683 0.480 0.940 1.000 0.933 CB 1.174 16 residues pruned to eliminate duplicates Z: 18 18.331 1.763 0.580 0.912 0.941 0.824 CA 1.201 18 residues pruned to eliminate duplicates Z: 9 10.086 1.864 0.355 0.866 1.000 0.875 CB 1.033 Z: 20 20.861 1.847 0.539 0.780 1.000 0.737 CB 1.316 20 residues pruned to eliminate duplicates Z: 15 8.639 1.687 0.515 0.429 0.786 0.429 CB 1.239 15 residues pruned to eliminate duplicates Z: 7 2.297 1.790 0.138 0.235 0.667 0.167 CB 0.940 7 residues pruned to eliminate duplicates Z: 19 16.539 1.815 0.488 0.675 0.944 0.667 CB 1.300 19 residues pruned to eliminate duplicates Z: 25 23.536 1.961 0.638 0.602 0.875 0.667 CA 1.550 25 residues pruned to eliminate duplicates Z: 14 14.923 1.777 0.503 0.824 0.923 0.692 CB 1.268 17 residues pruned to eliminate duplicates Z: 11 11.191 1.862 0.305 0.747 0.900 0.600 CB 1.298 11 residues pruned to eliminate duplicates Z: 6 5.888 1.606 0.451 0.862 0.800 0.800 CA 1.037 6 residues pruned to eliminate duplicates Z: 14 14.748 1.929 0.348 0.844 1.000 0.846 CA 1.171 14 residues pruned to eliminate duplicates Z: 16 14.502 1.797 0.392 0.752 0.933 0.467 CB 1.280 16 residues pruned to eliminate duplicates Z: 11 6.658 1.641 0.294 0.428 1.000 0.500 CB 1.069 7 residues pruned to eliminate duplicates Z: 10 11.831 1.798 0.614 0.860 0.889 0.556 CB 1.124 10 residues pruned to eliminate duplicates Z: 9 3.549 1.634 -0.017 0.397 0.875 0.375 CB 0.996 Z: 35 19.186 1.821 0.571 0.502 0.941 0.588 CB 1.219 25 residues pruned to eliminate duplicates Z: 6 4.625 1.568 0.574 0.660 0.800 0.800 CA 0.903 6 residues pruned to eliminate duplicates Z: 13 6.287 1.702 0.126 0.366 0.833 0.333 CB 1.312 13 residues pruned to eliminate duplicates Z: 11 11.641 1.854 0.689 0.540 1.000 0.600 CB 1.130 Z: 33 25.813 1.922 0.665 0.612 0.906 0.625 CB 1.416 36 residues pruned to eliminate duplicates Z: 10 7.239 1.788 0.391 0.321 0.889 0.778 CB 1.329 10 residues pruned to eliminate duplicates Z: 9 15.268 1.914 0.727 0.879 1.000 0.875 CB 1.184 9 residues pruned to eliminate duplicates Z: 8 6.420 1.734 0.482 0.849 1.000 0.857 CB 0.700 Z: 14 21.502 1.913 0.532 0.875 1.000 0.769 CB 1.480 16 residues pruned to eliminate duplicates Z: 8 8.080 1.632 0.394 0.748 0.857 0.571 CB 1.255 7 residues pruned to eliminate duplicates Z: 15 28.055 1.939 0.638 0.933 1.000 0.929 CB 1.647 17 residues pruned to eliminate duplicates Z: 6 5.571 1.492 0.524 0.849 0.800 0.800 CA 1.015 Z: 14 8.900 1.682 0.148 0.502 0.923 0.538 CA 1.382 14 residues pruned to eliminate duplicates Z: 10 5.443 1.568 0.084 0.497 1.000 0.556 CB 1.071 10 residues pruned to eliminate duplicates Z: 21 9.998 1.836 0.141 0.445 0.800 0.550 CA 1.412 23 residues pruned to eliminate duplicates Z: 8 7.931 1.890 0.216 0.577 0.857 0.857 N 1.412 8 residues pruned to eliminate duplicates Z: 9 11.554 1.734 0.405 0.912 1.000 0.875 CB 1.187 10 residues pruned to eliminate duplicates Z: 12 5.961 1.923 0.223 0.385 0.636 0.273 CB 1.356 12 residues pruned to eliminate duplicates Z: 8 12.289 1.520 1.094 0.827 1.000 0.714 CB 1.099 Z: 7 4.606 1.527 0.936 0.787 1.000 0.833 CB 0.495 5 residues pruned to eliminate duplicates Z: 10 16.066 1.800 0.756 0.920 1.000 1.000 CA 1.193 10 residues pruned to eliminate duplicates Z: 12 8.934 1.686 0.515 0.565 0.909 0.545 CA 1.089 12 residues pruned to eliminate duplicates Z: 13 17.109 1.875 0.353 0.907 1.000 0.917 CA 1.384 12 residues pruned to eliminate duplicates Z: 26 15.294 1.882 0.536 0.445 0.960 0.560 CB 1.167 26 residues pruned to eliminate duplicates Z: 14 13.753 1.895 0.548 0.827 0.846 0.692 CB 1.158 14 residues pruned to eliminate duplicates Z: 12 11.961 1.633 0.456 0.873 0.909 0.727 CB 1.215 12 residues pruned to eliminate duplicates Z: 15 5.525 1.730 0.308 0.232 0.714 0.286 N 1.248 7 residues pruned to eliminate duplicates Z: 22 12.846 1.706 0.565 0.669 0.905 0.619 CB 0.993 22 residues pruned to eliminate duplicates Z: 15 23.312 1.961 0.797 0.868 1.000 0.786 CA 1.293 15 residues pruned to eliminate duplicates Z: 8 7.445 1.688 0.307 0.788 0.857 0.857 CA 1.155 7 residues pruned to eliminate duplicates Z: 14 17.392 1.860 0.453 0.840 0.923 0.769 CA 1.443 13 residues pruned to eliminate duplicates Z: 15 11.940 1.882 0.641 0.353 0.857 0.500 CA 1.414 15 residues pruned to eliminate duplicates Z: 9 5.185 1.805 0.614 0.301 0.750 0.750 CB 1.048 Z: 10 8.099 1.613 0.174 0.878 1.000 0.778 CB 1.034 10 residues pruned to eliminate duplicates Z: 12 11.618 1.891 0.435 0.833 0.909 0.727 CB 1.065 12 residues pruned to eliminate duplicates Z: 45 17.718 1.795 0.487 0.421 0.841 0.523 CB 1.293 40 residues pruned to eliminate duplicates Z: 8 6.265 1.905 0.100 0.638 1.000 0.429 CB 0.992 Z: 10 14.200 1.744 0.492 0.878 0.889 0.778 N 1.485 10 residues pruned to eliminate duplicates Z: 9 4.149 1.540 0.287 0.310 0.875 0.500 CB 1.044 Z: 12 5.515 1.593 0.164 0.390 0.818 0.455 CB 1.232 12 residues pruned to eliminate duplicates Z: 17 29.308 2.053 0.751 0.848 1.000 0.750 CB 1.512 17 residues pruned to eliminate duplicates Z: 7 3.932 1.681 0.183 0.655 0.667 0.667 CB 1.048 Z: 17 18.689 1.813 0.500 0.775 1.000 0.625 CB 1.348 17 residues pruned to eliminate duplicates Z: 14 11.945 1.875 0.449 0.860 0.923 0.615 CB 0.971 14 residues pruned to eliminate duplicates Z: 8 6.984 1.682 0.262 0.649 0.857 0.714 CB 1.263 6 residues pruned to eliminate duplicates Z: 13 10.488 1.833 0.361 0.567 1.000 0.833 CB 1.137 13 residues pruned to eliminate duplicates Z: 35 14.776 1.680 0.411 0.477 0.912 0.588 CB 1.200 35 residues pruned to eliminate duplicates Z: 6 3.729 1.492 0.660 0.417 0.800 0.600 CB 0.918 Z: 33 17.242 1.813 0.340 0.507 0.906 0.594 CA 1.374 33 residues pruned to eliminate duplicates Z: 9 11.093 2.073 0.476 0.874 1.000 0.875 CB 0.933 9 residues pruned to eliminate duplicates Z: 12 8.058 1.753 0.272 0.663 0.727 0.545 CB 1.288 12 residues pruned to eliminate duplicates Z: 17 22.154 1.811 0.662 0.802 1.000 0.875 CA 1.413 17 residues pruned to eliminate duplicates Z: 6 5.846 1.797 0.295 0.494 0.800 0.800 CB 1.413 Z: 8 7.642 1.608 0.452 0.464 1.000 0.857 CB 1.282 Z: 11 6.300 1.676 0.134 0.342 1.000 0.600 CB 1.244 Z: 11 6.245 1.558 0.168 0.856 1.000 0.900 CB 0.800 Z: 11 13.883 1.824 0.493 0.882 0.900 0.800 CB 1.296 11 residues pruned to eliminate duplicates Z: 7 4.739 1.570 0.232 0.818 0.833 0.500 CA 0.911 7 residues pruned to eliminate duplicates Z: 15 23.874 1.866 0.805 0.910 1.000 0.857 CA 1.344 16 residues pruned to eliminate duplicates Z: 26 18.612 1.917 0.535 0.501 0.840 0.560 CB 1.504 26 residues pruned to eliminate duplicates Z: 12 4.129 1.592 0.037 0.530 0.818 0.455 CA 0.895 Z: 16 23.982 2.049 0.407 0.903 0.933 0.867 CB 1.640 16 residues pruned to eliminate duplicates Z: 10 11.656 1.749 0.393 0.828 0.889 0.667 CB 1.351 9 residues pruned to eliminate duplicates Z: 20 17.191 1.673 0.484 0.798 1.000 0.737 CB 1.224 20 residues pruned to eliminate duplicates Z: 11 13.583 1.675 0.476 0.858 1.000 0.600 CB 1.279 10 residues pruned to eliminate duplicates Z: 6 4.652 1.688 0.604 0.862 1.000 0.600 CB 0.564 Z: 16 12.042 1.765 -0.009 0.917 1.000 1.000 CB 1.255 16 residues pruned to eliminate duplicates Z: 17 17.510 1.775 0.439 0.911 1.000 1.000 CB 1.215 17 residues pruned to eliminate duplicates Z: 15 25.168 1.765 1.109 0.897 0.929 0.643 CA 1.393 17 residues pruned to eliminate duplicates Z: 15 15.574 1.775 0.585 0.897 0.857 0.786 CB 1.235 15 residues pruned to eliminate duplicates Z: 8 13.951 1.839 0.662 0.842 1.000 0.857 CA 1.286 8 residues pruned to eliminate duplicates 6 0.943 1.469 -0.205 0.439 0.800 0.600 CB 0.481 ? Z: 10 8.071 1.553 0.128 0.888 1.000 1.000 CB 1.106 11 residues pruned to eliminate duplicates Z: 16 7.681 1.550 0.513 0.400 0.733 0.600 CB 1.282 10 residues pruned to eliminate duplicates Z: 10 14.590 1.869 0.595 0.788 1.000 0.556 CB 1.267 10 residues pruned to eliminate duplicates Z: 6 3.144 1.616 0.271 0.544 1.000 0.600 CB 0.656 Z: 13 21.086 1.959 1.008 0.812 0.917 0.667 CA 1.287 13 residues pruned to eliminate duplicates Z: 15 6.518 1.669 0.323 0.367 0.714 0.357 CB 1.274 15 residues pruned to eliminate duplicates Z: 14 15.480 1.743 0.603 0.821 1.000 0.615 CA 1.163 14 residues pruned to eliminate duplicates Z: 7 8.891 1.716 0.344 0.723 1.000 0.667 CA 1.288 Z: 10 7.276 1.720 0.666 0.421 0.889 0.333 CB 1.034 11 residues pruned to eliminate duplicates Z: 6 2.403 1.388 -0.079 0.724 0.800 0.600 N 0.858 Z: 25 20.178 1.780 0.799 0.678 0.833 0.667 CA 1.309 27 residues pruned to eliminate duplicates Z: 18 24.544 1.806 0.789 0.864 1.000 0.765 N 1.351 18 residues pruned to eliminate duplicates Z: 6 10.447 1.967 0.358 0.785 1.000 0.800 CA 1.361 6 residues pruned to eliminate duplicates Z: 16 14.862 1.908 0.334 0.837 0.933 0.733 CB 1.208 16 residues pruned to eliminate duplicates Z: 9 9.063 1.834 0.213 0.920 1.000 1.000 CB 1.015 9 residues pruned to eliminate duplicates Z: 8 11.820 1.753 0.544 0.874 1.000 0.714 CB 1.202 Z: 18 13.189 1.710 0.468 0.831 0.941 0.824 CA 1.017 18 residues pruned to eliminate duplicates Z: 13 8.447 1.676 0.454 0.519 0.917 0.583 CA 1.071 13 residues pruned to eliminate duplicates Z: 12 12.840 1.916 0.737 0.742 0.909 0.727 CB 1.030 17 residues pruned to eliminate duplicates Z: 13 3.301 1.653 0.505 0.310 0.750 0.333 CB 0.631 Z: 16 19.863 1.929 0.604 0.865 0.933 0.800 CA 1.301 16 residues pruned to eliminate duplicates Z: 13 16.246 1.734 0.545 0.838 1.000 0.667 CB 1.308 13 residues pruned to eliminate duplicates Z: 17 12.933 1.794 0.386 0.801 0.938 0.625 CB 1.066 17 residues pruned to eliminate duplicates Z: 12 11.581 1.891 0.292 0.694 1.000 0.545 CB 1.197 12 residues pruned to eliminate duplicates Z: 14 3.995 1.454 0.100 0.412 0.846 0.538 CB 0.897 Z: 15 10.875 1.659 0.418 0.796 0.786 0.571 CB 1.213 15 residues pruned to eliminate duplicates Z: 7 7.737 1.612 0.917 0.670 0.833 0.500 CB 1.048 7 residues pruned to eliminate duplicates Z: 11 11.715 1.793 0.523 0.899 0.900 0.500 CB 1.078 11 residues pruned to eliminate duplicates Z: 6 5.044 1.574 0.235 0.831 1.000 0.800 CA 0.872 6 residues pruned to eliminate duplicates Z: 12 4.356 1.484 0.433 0.420 0.636 0.545 CB 1.054 19 residues pruned to eliminate duplicates Z: 26 19.882 1.897 0.719 0.493 0.880 0.600 CB 1.395 26 residues pruned to eliminate duplicates Z: 8 5.797 1.546 0.205 0.875 1.000 0.857 CA 0.855 8 residues pruned to eliminate duplicates Z: 10 7.978 1.624 0.369 0.719 0.889 0.667 CB 1.104 10 residues pruned to eliminate duplicates Z: 14 22.660 1.824 0.710 0.926 1.000 0.846 CA 1.413 14 residues pruned to eliminate duplicates Z: 14 6.787 1.624 0.078 0.538 0.846 0.462 CB 1.224 21 residues pruned to eliminate duplicates Z: 11 6.329 1.821 0.273 0.524 0.700 0.300 CB 1.204 6 residues pruned to eliminate duplicates Z: 11 11.482 1.859 0.783 0.433 0.900 0.500 CB 1.305 11 residues pruned to eliminate duplicates Z: 10 3.551 1.556 0.262 0.350 0.667 0.333 CB 1.065 Z: 19 13.818 1.734 0.482 0.744 0.889 0.667 CB 1.147 19 residues pruned to eliminate duplicates Z: 19 11.605 1.833 0.407 0.454 0.944 0.611 CB 1.177 19 residues pruned to eliminate duplicates Z: 21 22.526 1.944 0.595 0.715 0.950 0.700 CB 1.407 21 residues pruned to eliminate duplicates Z: 19 12.255 1.876 0.422 0.433 0.944 0.722 CB 1.229 25 residues pruned to eliminate duplicates Z: 12 13.621 1.839 0.474 0.856 1.000 0.909 CA 1.118 12 residues pruned to eliminate duplicates Z: 10 17.632 2.015 0.582 0.845 1.000 0.667 CB 1.371 10 residues pruned to eliminate duplicates Z: 17 18.985 1.812 0.562 0.941 1.000 1.000 CA 1.163 17 residues pruned to eliminate duplicates Z: 19 9.420 1.750 0.440 0.530 0.833 0.500 CB 1.026 19 residues pruned to eliminate duplicates Z: 6 8.787 1.678 0.623 0.871 0.800 0.600 CA 1.316 Z: 9 6.535 1.648 0.494 0.361 0.875 0.625 CB 1.246 Z: 10 9.885 1.846 0.506 0.650 0.889 0.667 CB 1.159 10 residues pruned to eliminate duplicates Z: 15 9.321 1.756 0.376 0.385 0.929 0.429 CB 1.253 17 residues pruned to eliminate duplicates Z: 16 20.100 1.773 0.623 0.902 0.933 0.800 CA 1.378 16 residues pruned to eliminate duplicates Z: 7 3.411 1.674 0.424 0.273 0.667 0.500 CB 1.133 7 residues pruned to eliminate duplicates Z: 12 10.512 1.591 0.291 0.856 1.000 0.727 CB 1.138 12 residues pruned to eliminate duplicates Z: 15 16.960 1.742 0.524 0.849 0.929 0.714 CA 1.362 15 residues pruned to eliminate duplicates Z: 11 18.921 1.801 0.629 0.867 1.000 0.900 CA 1.493 12 residues pruned to eliminate duplicates Z: 16 16.080 1.852 0.406 0.892 0.933 0.800 CB 1.227 16 residues pruned to eliminate duplicates Z: 20 8.028 1.814 0.399 0.304 0.737 0.368 CB 1.225 20 residues pruned to eliminate duplicates Z: 7 2.424 1.241 0.927 0.372 0.667 0.500 N 0.712 Z: 10 11.619 1.733 0.680 0.813 1.000 0.667 CB 1.013 10 residues pruned to eliminate duplicates Z: 13 12.050 1.732 0.404 0.854 1.000 0.750 CA 1.056 12 residues pruned to eliminate duplicates Z: 12 6.603 1.657 0.247 0.427 0.818 0.545 N 1.270 11 residues pruned to eliminate duplicates Z: 6 4.265 1.643 0.003 0.857 1.000 1.000 CB 0.853 5 residues pruned to eliminate duplicates Z: 11 12.078 1.543 0.705 0.898 1.000 0.800 CB 1.039 15 residues pruned to eliminate duplicates Z: 7 6.141 1.616 0.229 0.834 1.000 0.500 CB 0.946 7 residues pruned to eliminate duplicates Z: 8 4.905 1.446 0.372 0.450 1.000 0.857 CB 0.984 8 residues pruned to eliminate duplicates Z: 12 10.377 1.830 0.188 0.867 1.000 0.727 CA 1.053 12 residues pruned to eliminate duplicates Z: 7 5.274 1.631 0.067 0.823 1.000 1.000 CB 0.935 Z: 17 10.206 1.793 0.536 0.336 0.938 0.500 CB 1.182 17 residues pruned to eliminate duplicates Z: 7 13.444 1.640 0.806 0.838 1.000 0.667 CB 1.385 13 residues pruned to eliminate duplicates Z: 33 11.803 1.836 0.437 0.370 0.781 0.438 CB 1.164 34 residues pruned to eliminate duplicates Z: 29 17.609 1.767 0.542 0.557 0.857 0.643 CB 1.348 29 residues pruned to eliminate duplicates Z: 16 18.374 1.882 0.396 0.933 1.000 0.933 CA 1.260 16 residues pruned to eliminate duplicates Z: 10 4.234 1.588 0.564 0.309 0.556 0.333 N 1.265 7 residues pruned to eliminate duplicates Z: 13 24.790 1.876 1.209 0.868 1.000 0.667 CA 1.263 13 residues pruned to eliminate duplicates Z: 8 8.904 1.414 0.807 0.819 0.857 0.857 CA 1.165 7 residues pruned to eliminate duplicates Z: 8 5.745 1.659 0.167 0.625 1.000 0.714 CB 0.997 8 residues pruned to eliminate duplicates Z: 14 20.973 1.894 0.745 0.901 0.923 0.846 CB 1.361 14 residues pruned to eliminate duplicates Z: 10 15.595 1.707 0.704 0.847 1.000 1.000 CB 1.327 11 residues pruned to eliminate duplicates Z: 25 9.841 1.695 0.365 0.374 0.792 0.417 CB 1.255 25 residues pruned to eliminate duplicates Z: 14 15.477 1.806 0.299 0.914 1.000 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 13 3.830 1.600 0.739 0.266 0.667 0.500 CB 0.778 13 residues pruned to eliminate duplicates Z: 12 12.738 1.615 0.452 0.888 1.000 0.818 CB 1.180 12 residues pruned to eliminate duplicates Z: 7 6.187 1.752 0.506 0.503 1.000 0.667 CB 0.955 Z: 7 2.675 1.377 0.352 0.291 0.667 0.500 O 1.112 Z: 11 5.474 1.807 -0.045 0.442 0.900 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 11 8.491 1.602 0.110 0.859 0.900 0.900 CB 1.234 11 residues pruned to eliminate duplicates Z: 8 6.653 1.675 0.552 0.479 0.714 0.714 CB 1.384 Z: 12 10.948 1.674 0.697 0.820 0.909 0.636 CB 0.969 12 residues pruned to eliminate duplicates Z: 14 20.039 1.999 0.964 0.806 0.923 0.538 CB 1.175 14 residues pruned to eliminate duplicates Z: 17 18.170 1.813 0.473 0.779 1.000 0.750 CA 1.330 17 residues pruned to eliminate duplicates Z: 14 5.432 1.860 0.086 0.461 0.769 0.462 CB 1.009 14 residues pruned to eliminate duplicates Z: 16 9.706 1.759 0.635 0.375 0.867 0.533 CB 1.150 11 residues pruned to eliminate duplicates Z: 9 3.738 1.599 -0.047 0.840 0.875 0.875 CB 0.739 9 residues pruned to eliminate duplicates Z: 16 21.041 1.774 0.789 0.875 0.933 0.800 CA 1.334 16 residues pruned to eliminate duplicates Z: 10 9.730 1.772 0.120 0.912 1.000 1.000 CB 1.157 10 residues pruned to eliminate duplicates Z: 6 2.588 1.452 0.182 0.464 0.600 0.200 N 1.167 Z: 10 4.485 1.460 0.321 0.425 0.667 0.444 CA 1.257 10 residues pruned to eliminate duplicates Z: 9 9.843 1.819 0.186 0.837 1.000 0.750 CA 1.207 9 residues pruned to eliminate duplicates Z: 7 10.075 1.652 0.631 0.867 1.000 0.833 CA 1.117 6 residues pruned to eliminate duplicates Z: 7 7.418 1.657 0.461 0.816 0.833 0.833 N 1.140 Z: 16 24.160 1.791 0.819 0.907 1.000 0.800 CA 1.361 16 residues pruned to eliminate duplicates Z: 6 10.070 1.803 0.630 0.800 1.000 0.600 CA 1.179 6 residues pruned to eliminate duplicates Z: 11 17.667 1.959 0.480 0.735 1.000 0.800 CA 1.561 11 residues pruned to eliminate duplicates Z: 9 8.517 1.559 0.501 0.878 1.000 0.750 CB 0.934 7 residues pruned to eliminate duplicates Z: 25 11.063 1.753 0.503 0.519 0.833 0.500 CB 1.009 25 residues pruned to eliminate duplicates Z: 6 4.370 1.660 0.169 0.614 1.000 0.600 CA 0.904 5 residues pruned to eliminate duplicates Z: 36 21.173 1.799 0.497 0.555 0.971 0.686 CB 1.296 36 residues pruned to eliminate duplicates Z: 17 25.493 1.793 0.990 0.905 0.938 0.812 CA 1.356 17 residues pruned to eliminate duplicates Z: 12 9.539 1.604 0.334 0.571 1.000 0.727 CA 1.255 12 residues pruned to eliminate duplicates Z: 14 18.828 1.796 0.730 0.913 1.000 0.923 CB 1.189 14 residues pruned to eliminate duplicates Z: 10 6.784 1.718 0.284 0.469 1.000 0.556 CB 1.057 10 residues pruned to eliminate duplicates Z: 14 8.532 1.607 0.430 0.558 1.000 0.538 CB 0.974 12 residues pruned to eliminate duplicates Z: 13 15.067 1.816 0.506 0.899 1.000 0.750 CA 1.137 13 residues pruned to eliminate duplicates Z: 13 4.775 1.617 0.565 0.306 0.583 0.333 CB 1.158 13 residues pruned to eliminate duplicates Z: 8 3.929 1.518 0.370 0.400 0.714 0.571 CB 1.111 Z: 8 11.585 1.865 0.772 0.899 1.000 1.000 CB 0.947 8 residues pruned to eliminate duplicates Z: 11 6.340 1.886 0.410 0.442 0.800 0.600 CB 1.001 11 residues pruned to eliminate duplicates Z: 10 13.876 1.657 0.767 0.909 1.000 0.889 CA 1.121 10 residues pruned to eliminate duplicates Z: 7 6.449 1.655 0.159 0.769 1.000 0.833 CA 1.081 7 residues pruned to eliminate duplicates Z: 14 18.393 1.790 0.600 0.869 1.000 0.769 CA 1.301 14 residues pruned to eliminate duplicates Z: 18 24.279 1.737 0.869 0.940 1.000 0.941 CA 1.259 17 residues pruned to eliminate duplicates Z: 10 10.283 1.742 0.438 0.598 0.889 0.778 CA 1.401 10 residues pruned to eliminate duplicates Z: 6 4.762 1.705 0.229 0.630 1.000 1.000 CB 0.900 Z: 14 12.099 1.748 0.495 0.612 1.000 0.846 CB 1.154 16 residues pruned to eliminate duplicates Z: 12 7.228 1.425 0.462 0.467 1.000 0.545 CB 1.081 Z: 6 6.172 1.739 0.404 0.461 1.000 0.400 CB 1.177 6 residues pruned to eliminate duplicates Z: 8 8.454 1.743 0.184 0.842 1.000 0.714 CB 1.154 8 residues pruned to eliminate duplicates Z: 7 2.992 1.767 0.602 0.486 0.833 0.500 CB 0.525 Z: 12 15.060 1.638 0.613 0.866 1.000 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 14 6.554 1.620 0.268 0.488 0.923 0.692 CB 0.971 Z: 13 18.667 1.853 0.479 0.878 1.000 0.833 CA 1.426 13 residues pruned to eliminate duplicates Z: 22 8.405 1.826 0.238 0.375 0.857 0.476 CB 1.081 22 residues pruned to eliminate duplicates Z: 21 9.453 1.659 0.354 0.454 0.850 0.450 CB 1.161 21 residues pruned to eliminate duplicates Z: 7 4.968 1.480 0.208 0.702 1.000 0.667 CB 0.944 Z: 15 28.656 1.991 0.624 0.931 1.000 0.929 CA 1.655 15 residues pruned to eliminate duplicates Z: 13 5.908 1.594 0.395 0.477 0.917 0.583 CB 0.856 12 residues pruned to eliminate duplicates Z: 15 6.963 1.587 0.281 0.481 0.786 0.643 CA 1.188 15 residues pruned to eliminate duplicates Z: 7 3.005 1.294 0.358 0.693 0.833 0.500 CA 0.702 7 residues pruned to eliminate duplicates Z: 33 20.679 1.901 0.568 0.551 0.875 0.531 CB 1.334 33 residues pruned to eliminate duplicates Z: 25 16.585 1.869 0.482 0.524 0.917 0.625 CB 1.302 24 residues pruned to eliminate duplicates Z: 6 3.201 1.759 0.035 0.477 0.800 0.800 CB 1.006 6 residues pruned to eliminate duplicates Z: 26 21.099 1.758 0.754 0.675 0.880 0.680 CB 1.324 26 residues pruned to eliminate duplicates Z: 8 7.091 1.600 0.408 0.783 0.857 0.571 CA 1.082 7 residues pruned to eliminate duplicates Z: 8 3.486 1.552 0.029 0.429 0.857 0.571 CB 1.036 Z: 11 11.952 1.773 0.286 0.829 0.900 0.800 CB 1.386 11 residues pruned to eliminate duplicates Z: 25 17.522 1.760 0.666 0.681 0.750 0.458 N 1.376 25 residues pruned to eliminate duplicates Z: 6 6.271 1.638 0.869 0.488 0.800 0.600 CB 1.159 Z: 21 6.402 1.479 0.372 0.342 0.800 0.400 CB 1.047 21 residues pruned to eliminate duplicates Z: 34 18.969 1.862 0.532 0.460 0.848 0.576 CB 1.421 34 residues pruned to eliminate duplicates Z: 6 7.173 1.567 0.605 0.726 0.800 0.400 N 1.300 6 residues pruned to eliminate duplicates Z: 26 12.614 1.771 0.361 0.481 0.800 0.560 CB 1.334 26 residues pruned to eliminate duplicates Z: 13 8.962 1.607 0.203 0.706 1.000 0.667 CB 1.110 11 residues pruned to eliminate duplicates Z: 22 24.533 1.956 0.815 0.598 0.952 0.714 CB 1.443 24 residues pruned to eliminate duplicates Z: 7 2.543 1.360 0.107 0.767 0.667 0.333 CB 0.816 Z: 8 16.039 1.785 1.025 0.885 1.000 0.714 CA 1.211 8 residues pruned to eliminate duplicates Z: 11 8.934 1.555 0.727 0.467 1.000 0.600 CB 1.087 Z: 12 10.873 1.666 0.876 0.444 0.909 0.545 N 1.223 12 residues pruned to eliminate duplicates Z: 26 13.847 1.841 0.444 0.425 0.880 0.640 CB 1.280 26 residues pruned to eliminate duplicates Z: 11 12.444 1.738 0.298 0.857 1.000 0.800 CB 1.286 11 residues pruned to eliminate duplicates Z: 6 2.263 1.268 0.558 0.373 0.800 0.400 O 0.734 Z: 6 2.382 1.649 0.560 0.786 1.000 0.600 CB 0.322 6 residues pruned to eliminate duplicates Z: 8 7.990 1.523 0.829 0.767 0.857 0.571 CA 0.998 Z: 8 6.097 1.480 0.600 0.703 0.714 0.714 CB 1.132 8 residues pruned to eliminate duplicates Z: 6 3.394 1.481 0.354 0.467 0.800 0.600 N 0.978 Z: 7 5.152 1.694 0.271 0.465 0.833 0.500 CA 1.215 Z: 12 6.921 1.648 0.406 0.620 0.818 0.818 CB 0.983 12 residues pruned to eliminate duplicates Z: 7 2.773 1.591 0.373 0.887 1.000 1.000 CB 0.374 Z: 9 2.170 1.131 0.695 0.267 0.750 0.625 N 0.695 Z: 16 24.107 1.904 0.916 0.911 0.933 0.667 CA 1.296 16 residues pruned to eliminate duplicates Z: 6 3.669 1.211 0.235 0.720 1.000 0.800 N 0.900 Z: 10 5.847 1.468 0.317 0.814 0.889 0.667 CB 0.863 10 residues pruned to eliminate duplicates Z: 27 16.361 1.864 0.563 0.550 0.923 0.423 CB 1.136 28 residues pruned to eliminate duplicates Z: 11 7.014 1.541 0.353 0.699 0.800 0.300 CA 1.109 10 residues pruned to eliminate duplicates Z: 8 2.373 1.436 -0.042 0.269 0.857 0.571 CB 0.988 Z: 15 14.352 1.750 0.571 0.811 0.857 0.643 CA 1.242 15 residues pruned to eliminate duplicates Z: 13 4.889 1.533 0.338 0.359 0.750 0.500 CB 1.068 13 residues pruned to eliminate duplicates Z: 7 3.727 1.679 0.057 0.566 0.833 0.667 CB 0.965 7 residues pruned to eliminate duplicates 6 1.591 1.644 0.486 0.234 0.400 0.200 CB 0.991 ? Z: 8 3.433 1.496 0.124 0.363 0.714 0.286 CB 1.253 7 residues pruned to eliminate duplicates Z: 28 11.753 1.766 0.288 0.418 0.815 0.519 CB 1.330 28 residues pruned to eliminate duplicates Z: 27 16.799 1.851 0.478 0.470 0.962 0.654 CB 1.291 28 residues pruned to eliminate duplicates Z: 14 10.469 1.825 0.149 0.734 1.000 0.692 CB 1.122 13 residues pruned to eliminate duplicates Z: 6 6.455 1.664 0.664 0.883 1.000 0.800 CB 0.754 6 residues pruned to eliminate duplicates Z: 12 4.131 1.605 0.295 0.307 0.818 0.455 CB 0.907 9 residues pruned to eliminate duplicates 6 0.687 1.022 0.326 0.470 0.600 0.400 N 0.390 ? Z: 12 12.265 1.716 0.617 0.856 1.000 0.636 CB 0.983 12 residues pruned to eliminate duplicates Z: 7 2.066 1.386 0.463 0.281 0.667 0.333 CA 0.799 Z: 6 2.751 1.205 0.125 0.532 1.000 0.600 CB 0.880 Z: 8 9.240 1.595 0.467 0.881 1.000 0.857 CA 1.081 7 residues pruned to eliminate duplicates Z: 9 8.404 1.828 0.675 0.846 1.000 0.625 CB 0.721 9 residues pruned to eliminate duplicates Z: 8 3.329 1.635 0.379 0.363 0.857 0.571 CB 0.754 8 residues pruned to eliminate duplicates Z: 22 18.162 1.968 0.623 0.538 0.905 0.429 CB 1.321 22 residues pruned to eliminate duplicates Z: 14 9.122 1.521 0.964 0.377 0.846 0.308 CB 1.141 14 residues pruned to eliminate duplicates Z: 11 23.420 1.946 0.796 0.885 1.000 0.700 CB 1.529 11 residues pruned to eliminate duplicates Z: 9 3.546 1.442 0.148 0.437 0.875 0.500 N 0.923 Z: 9 13.649 1.869 0.703 0.901 1.000 0.875 CB 1.081 9 residues pruned to eliminate duplicates Z: 7 7.213 1.864 0.509 0.430 0.833 0.667 N 1.351 7 residues pruned to eliminate duplicates Z: 15 6.782 1.519 0.555 0.505 0.786 0.500 CA 0.972 15 residues pruned to eliminate duplicates Z: 8 2.432 1.468 0.449 0.370 0.571 0.429 CB 0.870 Z: 17 21.888 1.740 0.868 0.895 0.938 0.500 CA 1.288 17 residues pruned to eliminate duplicates Z: 8 5.033 1.738 0.238 0.527 0.857 0.429 N 1.004 8 residues pruned to eliminate duplicates Z: 10 13.961 1.850 0.532 0.835 1.000 0.778 CB 1.230 10 residues pruned to eliminate duplicates Z: 12 7.113 1.768 0.226 0.395 0.818 0.636 CA 1.350 12 residues pruned to eliminate duplicates Z: 12 19.958 1.867 0.945 0.879 0.818 0.545 CA 1.469 12 residues pruned to eliminate duplicates Z: 11 13.927 1.683 0.621 0.865 1.000 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 12 7.697 1.910 0.194 0.385 0.909 0.727 CB 1.265 12 residues pruned to eliminate duplicates Z: 17 22.072 1.810 0.611 0.926 1.000 1.000 CA 1.327 17 residues pruned to eliminate duplicates Z: 7 7.152 1.747 0.253 0.704 1.000 0.500 CB 1.108 Z: 11 11.978 1.927 0.354 0.682 0.900 0.900 CA 1.364 11 residues pruned to eliminate duplicates Z: 8 8.477 1.556 0.615 0.811 1.000 0.714 CB 0.973 8 residues pruned to eliminate duplicates Z: 9 6.224 1.621 0.389 0.770 0.875 0.750 CB 0.879 9 residues pruned to eliminate duplicates Z: 12 9.966 1.888 0.264 0.532 0.909 0.636 CA 1.342 12 residues pruned to eliminate duplicates Z: 13 10.806 1.765 0.709 0.755 0.917 0.500 CB 0.899 13 residues pruned to eliminate duplicates Z: 26 15.451 1.742 0.524 0.558 0.800 0.640 CB 1.376 26 residues pruned to eliminate duplicates Z: 6 4.030 1.373 0.440 0.706 0.800 0.800 CB 0.945 Z: 17 18.252 1.744 0.715 0.889 0.938 0.812 CA 1.172 17 residues pruned to eliminate duplicates Z: 9 2.487 1.419 0.341 0.195 0.750 0.250 N 0.886 6 1.602 1.180 0.609 0.279 0.600 0.400 CB 0.807 ? Z: 20 8.341 1.616 0.659 0.299 0.737 0.421 CB 1.213 20 residues pruned to eliminate duplicates Z: 25 19.733 1.876 0.447 0.654 0.875 0.667 CA 1.469 30 residues pruned to eliminate duplicates Z: 10 4.637 1.675 -0.092 0.868 1.000 0.556 CB 0.743 10 residues pruned to eliminate duplicates Z: 10 8.581 1.554 0.486 0.879 1.000 0.778 CB 0.898 10 residues pruned to eliminate duplicates Z: 14 7.581 1.684 0.219 0.469 0.846 0.462 CB 1.249 14 residues pruned to eliminate duplicates Z: 8 3.718 1.600 0.120 0.468 1.000 0.714 CB 0.810 Z: 12 9.110 1.782 0.484 0.660 0.818 0.636 CB 1.094 10 residues pruned to eliminate duplicates Z: 6 5.343 1.706 0.311 0.772 1.000 0.800 CA 0.840 6 residues pruned to eliminate duplicates Z: 6 3.098 1.414 0.259 0.565 0.800 0.600 CB 0.913 Z: 16 14.508 1.884 0.464 0.601 0.933 0.600 CB 1.323 18 residues pruned to eliminate duplicates Z: 7 6.943 1.548 0.496 0.749 0.833 0.667 N 1.176 7 residues pruned to eliminate duplicates Z: 22 22.297 1.935 0.732 0.584 0.952 0.667 CB 1.406 22 residues pruned to eliminate duplicates Z: 6 5.856 1.324 0.826 0.855 1.000 1.000 CB 0.800 Z: 6 4.733 1.473 0.270 0.656 0.800 0.200 O 1.223 6 residues pruned to eliminate duplicates Z: 14 17.253 1.787 0.605 0.886 0.923 0.769 N 1.304 14 residues pruned to eliminate duplicates 6 1.896 1.453 -0.064 0.451 0.800 0.800 O 0.819 ? Z: 12 4.762 1.612 0.336 0.426 0.909 0.455 CB 0.791 16 residues pruned to eliminate duplicates Z: 7 8.289 1.744 0.600 0.685 0.833 0.833 CA 1.228 7 residues pruned to eliminate duplicates Z: 11 8.172 1.560 0.415 0.815 0.900 0.600 CB 0.989 11 residues pruned to eliminate duplicates Z: 8 5.682 1.714 -0.014 0.428 1.000 0.714 CB 1.370 8 residues pruned to eliminate duplicates Z: 8 3.437 1.316 0.178 0.433 0.857 0.857 CB 1.048 Z: 20 6.685 1.618 0.310 0.385 0.789 0.368 CB 1.035 15 residues pruned to eliminate duplicates Z: 6 6.657 1.524 0.729 0.495 1.000 0.800 CA 1.136 6 1.517 1.235 -0.024 0.444 0.800 0.400 CB 0.745 ? Z: 8 5.683 1.534 0.497 0.600 0.857 0.714 CB 0.993 5 residues pruned to eliminate duplicates 6 1.739 1.454 0.336 0.551 0.600 0.600 CB 0.635 ? Z: 18 8.885 1.698 0.410 0.378 0.882 0.471 CB 1.162 18 residues pruned to eliminate duplicates Z: 16 18.586 1.821 0.530 0.794 1.000 0.733 CA 1.331 16 residues pruned to eliminate duplicates Z: 36 19.310 1.913 0.549 0.480 0.914 0.600 CB 1.229 33 residues pruned to eliminate duplicates Z: 13 8.508 1.662 0.347 0.410 0.917 0.750 CB 1.315 13 residues pruned to eliminate duplicates Z: 7 3.983 1.771 0.213 0.213 0.833 0.500 CB 1.275 Z: 10 13.062 1.783 0.389 0.895 1.000 1.000 CB 1.260 10 residues pruned to eliminate duplicates Z: 10 12.417 1.863 0.260 0.854 1.000 0.667 CB 1.302 10 residues pruned to eliminate duplicates Z: 15 21.468 1.959 0.636 0.911 0.929 0.643 CA 1.366 15 residues pruned to eliminate duplicates Z: 18 9.686 1.682 0.664 0.344 0.882 0.529 CB 1.127 18 residues pruned to eliminate duplicates 8 1.715 1.295 0.644 0.274 0.714 0.429 N 0.551 ? Z: 12 12.756 1.537 0.741 0.873 1.000 0.727 CB 1.047 11 residues pruned to eliminate duplicates Z: 6 7.653 1.646 0.536 0.756 0.800 0.600 N 1.347 6 residues pruned to eliminate duplicates Z: 6 3.053 1.593 -0.007 0.225 1.000 0.800 CA 1.190 Z: 30 13.209 1.775 0.579 0.524 0.862 0.655 CB 0.991 35 residues pruned to eliminate duplicates 6 1.201 1.465 0.089 0.863 0.800 0.800 CB 0.309 ? Z: 9 6.589 1.629 0.277 0.847 1.000 1.000 CA 0.832 9 residues pruned to eliminate duplicates Z: 10 9.038 1.764 0.128 0.879 1.000 0.889 CB 1.098 10 residues pruned to eliminate duplicates Z: 15 18.314 1.835 0.712 0.875 0.929 0.857 CA 1.220 15 residues pruned to eliminate duplicates Z: 7 3.792 1.636 0.429 0.357 0.833 0.500 CB 0.927 7 residues pruned to eliminate duplicates Z: 13 5.744 1.625 0.262 0.504 0.833 0.417 CB 0.967 10 residues pruned to eliminate duplicates Z: 11 7.594 1.637 0.394 0.392 0.900 0.700 CA 1.310 11 residues pruned to eliminate duplicates Z: 15 7.830 1.561 0.613 0.351 0.857 0.429 CB 1.140 Z: 7 3.910 1.392 0.546 0.345 0.833 0.667 CA 1.054 Z: 7 7.944 1.628 0.612 0.807 0.833 0.667 N 1.135 7 residues pruned to eliminate duplicates Z: 7 3.580 1.403 0.912 0.363 0.833 0.333 CB 0.758 Z: 16 6.119 1.716 0.130 0.350 0.867 0.267 CB 1.106 16 residues pruned to eliminate duplicates Z: 12 5.764 1.499 0.735 0.425 0.636 0.364 CB 1.135 12 residues pruned to eliminate duplicates Z: 9 7.178 1.571 -0.044 0.790 1.000 0.750 CA 1.310 9 residues pruned to eliminate duplicates Z: 18 11.890 1.771 0.491 0.520 0.824 0.529 CA 1.300 20 residues pruned to eliminate duplicates Z: 12 7.928 1.839 0.437 0.448 0.909 0.364 CB 1.050 19 residues pruned to eliminate duplicates Z: 6 2.651 1.344 0.525 0.395 0.800 0.400 CB 0.808 Z: 14 8.182 1.520 0.479 0.685 0.846 0.538 CB 1.007 14 residues pruned to eliminate duplicates Z: 7 9.131 1.549 0.631 0.851 1.000 0.667 CB 1.092 7 residues pruned to eliminate duplicates Z: 24 19.790 1.760 0.721 0.616 0.870 0.522 CA 1.404 24 residues pruned to eliminate duplicates Z: 16 5.250 1.503 0.103 0.311 0.800 0.400 CB 1.260 Z: 11 9.575 1.736 0.458 0.603 0.800 0.700 CB 1.356 8 residues pruned to eliminate duplicates Z: 11 10.572 1.718 0.510 0.877 1.000 0.700 CB 0.936 11 residues pruned to eliminate duplicates Z: 11 8.617 1.615 0.354 0.800 0.900 0.800 CB 1.065 11 residues pruned to eliminate duplicates Z: 14 14.021 1.836 0.205 0.841 0.923 0.769 CB 1.420 14 residues pruned to eliminate duplicates Z: 10 5.197 1.687 0.256 0.456 0.778 0.556 CB 1.100 8 residues pruned to eliminate duplicates 7 1.374 1.481 0.362 0.506 1.000 0.500 CB 0.276 ? Z: 6 3.359 1.795 0.054 0.526 0.800 0.400 CB 0.968 6 residues pruned to eliminate duplicates Z: 7 4.485 1.567 0.060 0.816 1.000 1.000 CB 0.837 Z: 10 3.233 1.469 0.260 0.441 1.000 0.444 CB 0.619 Z: 10 16.931 1.849 0.718 0.844 1.000 0.778 CB 1.322 10 residues pruned to eliminate duplicates Z: 24 17.473 1.776 0.804 0.618 0.783 0.652 CB 1.300 25 residues pruned to eliminate duplicates Z: 6 10.524 2.169 0.252 0.875 1.000 1.000 CA 1.261 6 residues pruned to eliminate duplicates Z: 7 4.287 1.357 1.017 0.794 0.833 0.833 CB 0.593 Z: 6 4.062 1.302 0.768 0.538 0.800 0.800 CB 0.950 Z: 10 4.159 1.297 0.452 0.648 0.778 0.667 CB 0.824 Z: 8 7.393 1.757 0.658 0.730 0.857 0.429 CB 0.909 8 residues pruned to eliminate duplicates Z: 8 4.714 1.747 0.547 0.366 0.714 0.429 CB 1.065 8 residues pruned to eliminate duplicates Z: 16 6.690 1.680 0.168 0.465 0.867 0.667 CB 1.053 16 residues pruned to eliminate duplicates Z: 7 3.257 1.359 0.674 0.391 0.667 0.500 O 0.984 Z: 6 3.550 1.461 0.705 0.486 1.000 0.600 CB 0.646 Z: 9 7.710 1.786 0.318 0.554 0.875 0.750 CB 1.255 9 residues pruned to eliminate duplicates Z: 6 2.808 1.453 0.490 0.132 1.000 0.600 CB 0.918 Z: 8 3.643 1.369 0.327 0.430 0.857 0.571 CA 0.951 7 residues pruned to eliminate duplicates Z: 8 3.342 1.549 0.358 0.326 0.714 0.429 C 1.018 8 residues pruned to eliminate duplicates Z: 20 17.790 1.809 0.697 0.743 0.895 0.632 CB 1.195 20 residues pruned to eliminate duplicates Z: 6 3.035 1.643 0.277 0.455 0.600 0.600 N 1.129 6 residues pruned to eliminate duplicates Z: 7 4.848 1.630 0.313 0.823 0.833 0.500 CA 0.839 7 residues pruned to eliminate duplicates Z: 11 8.170 1.469 0.478 0.887 1.000 0.900 CB 0.858 11 residues pruned to eliminate duplicates Z: 16 18.474 1.881 0.787 0.900 0.933 0.600 CA 1.086 18 residues pruned to eliminate duplicates Z: 11 4.995 1.504 0.578 0.568 0.900 0.700 CB 0.693 7 residues pruned to eliminate duplicates Z: 7 3.135 1.278 0.467 0.731 0.833 0.333 CB 0.665 Z: 9 2.322 1.124 0.094 0.421 0.750 0.375 N 0.967 Z: 17 21.487 1.805 0.987 0.814 0.875 0.438 CA 1.303 17 residues pruned to eliminate duplicates Z: 13 4.049 1.587 0.272 0.391 0.750 0.333 CB 0.866 14 residues pruned to eliminate duplicates Z: 7 5.799 1.459 1.141 0.746 1.000 0.833 CB 0.608 9 residues pruned to eliminate duplicates Z: 13 7.109 1.662 0.417 0.406 0.917 0.250 CB 1.049 7 residues pruned to eliminate duplicates Z: 7 6.771 1.558 0.669 0.751 0.833 0.667 N 1.020 7 residues pruned to eliminate duplicates Z: 15 6.972 1.575 0.191 0.438 0.929 0.429 CB 1.140 15 residues pruned to eliminate duplicates Z: 8 8.884 1.730 0.361 0.843 1.000 0.857 CB 1.061 8 residues pruned to eliminate duplicates Z: 8 3.137 1.420 0.444 0.335 0.714 0.286 N 0.969 Z: 6 5.100 1.647 0.485 0.421 0.800 0.600 CA 1.266 6 residues pruned to eliminate duplicates Z: 17 22.988 1.842 0.674 0.865 1.000 0.812 CA 1.366 17 residues pruned to eliminate duplicates Z: 11 5.353 1.519 0.397 0.375 0.900 0.600 CB 1.012 18 residues pruned to eliminate duplicates 7 1.881 1.389 0.801 0.237 0.667 0.167 CB 0.624 ? Z: 49 22.004 1.823 0.531 0.468 0.896 0.583 CB 1.313 49 residues pruned to eliminate duplicates Z: 10 6.949 1.512 0.364 0.713 0.778 0.444 CB 1.190 10 residues pruned to eliminate duplicates Z: 18 18.493 1.767 0.633 0.800 0.882 0.647 CB 1.355 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 15 17.888 1.880 0.724 0.624 0.929 0.714 CA 1.413 15 residues pruned to eliminate duplicates Z: 13 27.727 2.046 0.947 0.747 1.000 0.833 CA 1.610 14 residues pruned to eliminate duplicates Z: 15 26.246 1.977 0.603 0.942 1.000 0.857 CA 1.535 14 residues pruned to eliminate duplicates Z: 17 24.423 1.811 0.571 0.935 1.000 0.688 CA 1.496 15 residues pruned to eliminate duplicates Z: 16 29.500 1.970 0.793 0.915 1.000 0.733 CA 1.524 17 residues pruned to eliminate duplicates Z: 17 27.050 1.869 0.836 0.860 0.938 0.688 CA 1.545 17 residues pruned to eliminate duplicates Z: 15 29.005 1.976 0.678 0.924 1.000 0.786 CA 1.642 15 residues pruned to eliminate duplicates Z: 17 11.780 1.766 0.805 0.367 0.812 0.562 CB 1.311 17 residues pruned to eliminate duplicates Z: 13 24.522 2.036 0.839 0.765 1.000 0.833 CB 1.494 13 residues pruned to eliminate duplicates Z: 14 25.979 2.009 0.765 0.780 1.000 0.462 CB 1.587 14 residues pruned to eliminate duplicates Z: 16 23.469 1.862 0.721 0.857 0.933 0.467 CB 1.493 16 residues pruned to eliminate duplicates Z: 20 25.003 1.860 0.775 0.730 0.947 0.211 CA 1.491 14 residues pruned to eliminate duplicates Z: 18 22.073 1.831 0.771 0.761 0.941 0.529 CB 1.391 18 residues pruned to eliminate duplicates Z: 19 20.677 1.848 0.748 0.819 0.944 0.444 CB 1.211 19 residues pruned to eliminate duplicates Z: 8 15.073 1.832 0.845 0.815 1.000 0.571 CA 1.282 8 residues pruned to eliminate duplicates Z: 8 11.912 1.811 0.670 0.823 1.000 0.571 CA 1.125 8 residues pruned to eliminate duplicates Z: 7 13.516 1.950 0.862 0.828 1.000 0.833 CA 1.145 7 residues pruned to eliminate duplicates Z: 10 6.393 1.721 0.275 0.573 0.889 0.778 CB 1.018 10 residues pruned to eliminate duplicates Z: 19 13.574 1.891 0.564 0.521 0.944 0.444 CB 1.121 8 residues pruned to eliminate duplicates Z: 6 14.614 2.059 0.574 0.867 1.000 1.000 CB 1.475 6 residues pruned to eliminate duplicates Z: 8 3.263 1.444 0.282 0.258 0.857 0.714 CA 1.025 8 residues pruned to eliminate duplicates 6 1.989 1.504 0.384 0.277 0.600 0.600 CB 0.917 ? Z: 7 3.340 1.558 0.208 0.451 0.833 0.833 CB 0.915 7 residues pruned to eliminate duplicates Z: 6 5.758 1.590 0.782 0.609 1.000 1.000 CB 0.819 6 residues pruned to eliminate duplicates Z: 18 7.449 1.703 0.435 0.490 0.824 0.588 CB 0.906 18 residues pruned to eliminate duplicates Z: 10 6.149 1.719 0.430 0.428 0.778 0.444 CB 1.155 10 residues pruned to eliminate duplicates Z: 10 7.487 1.703 0.435 0.460 1.000 0.778 CB 1.064 10 residues pruned to eliminate duplicates Z: 8 7.589 1.758 0.281 0.584 0.857 0.571 CB 1.371 8 residues pruned to eliminate duplicates Z: 10 4.645 1.704 0.362 0.432 0.778 0.444 CB 0.920 10 residues pruned to eliminate duplicates Z: 9 5.288 1.815 -0.037 0.476 0.875 0.750 CB 1.252 9 residues pruned to eliminate duplicates Z: 7 5.431 1.698 -0.181 0.701 1.000 0.667 CB 1.327 7 residues pruned to eliminate duplicates Z: 7 7.108 1.609 0.152 0.720 1.000 0.667 N 1.283 7 residues pruned to eliminate duplicates Z: 10 18.469 2.051 0.629 0.902 1.000 0.889 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 18.265 1.941 0.633 0.935 1.000 1.000 CA 1.211 10 residues pruned to eliminate duplicates Z: 11 16.296 1.982 0.637 0.918 1.000 1.000 CA 1.120 11 residues pruned to eliminate duplicates Z: 13 10.735 1.928 0.651 0.583 0.833 0.500 CB 1.079 13 residues pruned to eliminate duplicates Z: 10 19.405 2.193 0.675 0.774 1.000 0.889 CA 1.382 10 residues pruned to eliminate duplicates Z: 36 16.954 1.759 0.633 0.462 0.800 0.486 CB 1.297 36 residues pruned to eliminate duplicates Z: 18 13.579 1.829 0.633 0.461 0.882 0.529 CA 1.301 18 residues pruned to eliminate duplicates Z: 12 11.937 1.935 0.635 0.663 1.000 0.455 CB 0.978 12 residues pruned to eliminate duplicates Z: 11 6.136 1.623 0.545 0.424 0.700 0.100 N 1.196 11 residues pruned to eliminate duplicates Z: 13 12.221 1.613 0.776 0.667 1.000 0.583 CB 1.055 11 residues pruned to eliminate duplicates Z: 11 15.239 1.638 1.010 0.856 1.000 0.400 CB 1.079 13 residues pruned to eliminate duplicates Z: 14 10.892 1.464 0.704 0.823 0.923 0.692 CB 0.992 14 residues pruned to eliminate duplicates Z: 14 13.582 1.655 0.835 0.688 0.846 0.308 CB 1.233 12 residues pruned to eliminate duplicates Z: 11 9.882 1.617 0.767 0.792 0.800 0.200 CB 1.059 11 residues pruned to eliminate duplicates Z: 13 10.001 1.649 0.582 0.633 0.833 0.250 CB 1.172 13 residues pruned to eliminate duplicates Z: 10 7.663 1.665 0.522 0.532 0.778 0.444 CB 1.256 10 residues pruned to eliminate duplicates Z: 6 12.155 1.857 0.556 0.819 1.000 0.600 CB 1.426 7 residues pruned to eliminate duplicates Z: 9 9.517 1.562 0.754 0.737 1.000 0.375 N 0.992 8 residues pruned to eliminate duplicates Z: 8 8.499 1.551 0.804 0.599 1.000 0.571 N 1.045 8 residues pruned to eliminate duplicates Z: 8 11.058 1.722 0.943 0.567 1.000 0.571 N 1.171 7 residues pruned to eliminate duplicates Z: 6 4.106 1.432 0.702 0.434 0.800 0.400 CB 1.009 6 residues pruned to eliminate duplicates Z: 6 3.063 1.328 0.333 0.423 1.000 0.400 N 0.838 6 residues pruned to eliminate duplicates Z: 8 4.323 1.412 0.449 0.317 0.857 0.286 N 1.140 8 residues pruned to eliminate duplicates Z: 6 4.049 1.255 0.464 0.537 1.000 0.600 CA 0.950 6 residues pruned to eliminate duplicates Z: 6 3.427 1.390 0.389 0.358 1.000 0.400 CA 0.926 6 residues pruned to eliminate duplicates Z: 15 8.530 1.720 0.404 0.370 1.000 0.571 CB 1.085 15 residues pruned to eliminate duplicates Z: 13 8.235 1.731 0.328 0.466 0.917 0.583 CB 1.168 13 residues pruned to eliminate duplicates Z: 13 4.780 1.609 0.213 0.343 0.833 0.417 CB 1.007 13 residues pruned to eliminate duplicates Z: 11 5.667 1.700 0.265 0.353 0.900 0.600 CB 1.085 11 residues pruned to eliminate duplicates Z: 17 7.587 1.610 0.353 0.357 0.938 0.500 CB 1.084 17 residues pruned to eliminate duplicates Z: 9 6.338 1.664 0.446 0.501 1.000 0.625 CB 0.930 9 residues pruned to eliminate duplicates Z: 17 7.049 1.685 0.271 0.368 0.812 0.375 CB 1.166 17 residues pruned to eliminate duplicates Z: 26 11.466 1.785 0.390 0.338 0.920 0.360 CB 1.199 28 residues pruned to eliminate duplicates Z: 7 7.272 2.013 0.366 0.335 1.000 0.333 CB 1.293 5 residues pruned to eliminate duplicates Z: 7 5.253 1.366 0.678 0.507 1.000 0.333 CA 0.929 7 residues pruned to eliminate duplicates Z: 10 5.359 1.834 0.212 0.216 1.000 0.667 CB 1.122 8 residues pruned to eliminate duplicates Z: 6 5.512 1.533 0.811 0.342 1.000 0.400 CB 1.055 6 residues pruned to eliminate duplicates Z: 17 10.523 1.819 0.334 0.513 0.875 0.625 CA 1.223 17 residues pruned to eliminate duplicates Z: 15 23.610 1.949 0.661 0.850 0.929 0.857 CA 1.555 15 residues pruned to eliminate duplicates Z: 21 24.917 1.941 0.771 0.739 1.000 0.700 CB 1.309 19 residues pruned to eliminate duplicates Z: 14 19.278 1.916 0.701 0.844 0.846 0.769 CB 1.442 14 residues pruned to eliminate duplicates Z: 21 21.778 1.944 0.481 0.768 1.000 0.850 CB 1.334 21 residues pruned to eliminate duplicates Z: 16 17.722 1.818 0.480 0.904 0.933 0.933 CB 1.298 16 residues pruned to eliminate duplicates Z: 20 21.087 1.874 0.603 0.695 0.947 0.684 CA 1.423 20 residues pruned to eliminate duplicates Z: 19 20.940 1.927 0.508 0.757 0.944 0.778 CA 1.431 19 residues pruned to eliminate duplicates Z: 26 21.702 1.942 0.571 0.635 0.960 0.760 CB 1.305 30 residues pruned to eliminate duplicates Z: 15 17.944 1.815 0.618 0.897 0.929 0.857 CB 1.258 15 residues pruned to eliminate duplicates Z: 19 21.171 1.956 0.578 0.701 0.944 0.722 CA 1.425 19 residues pruned to eliminate duplicates Z: 19 23.205 1.915 0.709 0.758 0.944 0.833 CB 1.407 19 residues pruned to eliminate duplicates Z: 19 20.759 1.925 0.796 0.717 0.833 0.389 CB 1.395 19 residues pruned to eliminate duplicates Z: 6 3.196 1.436 0.660 0.326 0.600 0.000 CA 1.211 6 residues pruned to eliminate duplicates Z: 12 11.175 1.747 0.344 0.601 0.909 0.818 CB 1.435 11 residues pruned to eliminate duplicates Z: 9 11.487 1.864 0.225 0.660 1.000 0.625 N 1.533 9 residues pruned to eliminate duplicates Z: 17 8.501 1.643 0.140 0.462 0.875 0.438 CB 1.348 16 residues pruned to eliminate duplicates Z: 10 11.297 1.853 0.316 0.550 1.000 0.333 CB 1.471 10 residues pruned to eliminate duplicates Z: 14 9.886 1.689 0.415 0.406 0.923 0.385 N 1.372 14 residues pruned to eliminate duplicates Z: 26 11.671 1.696 0.454 0.459 0.800 0.440 CA 1.234 25 residues pruned to eliminate duplicates Z: 15 14.409 1.751 0.476 0.732 1.000 0.643 CB 1.210 15 residues pruned to eliminate duplicates Z: 20 18.627 1.912 0.621 0.704 0.842 0.684 CA 1.360 20 residues pruned to eliminate duplicates Z: 20 19.256 1.887 0.620 0.714 0.895 0.789 CA 1.331 20 residues pruned to eliminate duplicates Z: 16 9.419 1.801 0.550 0.542 0.800 0.600 CB 1.045 16 residues pruned to eliminate duplicates Z: 13 16.594 1.942 0.633 0.751 0.917 0.833 CA 1.317 13 residues pruned to eliminate duplicates Z: 28 17.483 1.799 0.660 0.620 0.815 0.407 CB 1.235 52 residues pruned to eliminate duplicates Z: 17 25.492 1.828 0.791 0.894 1.000 0.625 CA 1.396 17 residues pruned to eliminate duplicates Z: 34 24.255 1.860 0.601 0.629 0.970 0.576 CA 1.295 34 residues pruned to eliminate duplicates Z: 30 24.814 1.870 0.823 0.628 0.897 0.621 CA 1.337 50 residues pruned to eliminate duplicates Z: 12 24.022 1.917 1.193 0.871 0.909 0.727 CB 1.382 12 residues pruned to eliminate duplicates Z: 19 19.690 1.887 0.964 0.674 0.833 0.500 CB 1.279 19 residues pruned to eliminate duplicates Z: 17 18.773 1.809 1.096 0.682 0.875 0.500 CB 1.196 17 residues pruned to eliminate duplicates Z: 15 18.127 1.790 0.856 0.714 1.000 0.571 CB 1.201 15 residues pruned to eliminate duplicates Z: 24 18.359 1.788 0.954 0.625 0.826 0.478 CB 1.180 24 residues pruned to eliminate duplicates Z: 18 23.959 1.954 0.841 0.754 0.941 0.765 CA 1.368 18 residues pruned to eliminate duplicates Z: 19 20.164 1.828 0.965 0.637 1.000 0.722 CB 1.164 19 residues pruned to eliminate duplicates Z: 9 8.248 1.772 1.040 0.748 0.875 0.750 CA 0.739 9 residues pruned to eliminate duplicates Z: 15 8.062 1.814 0.380 0.562 0.857 0.643 CB 0.946 15 residues pruned to eliminate duplicates Z: 11 5.745 1.774 0.047 0.799 1.000 0.700 CB 0.753 11 residues pruned to eliminate duplicates Z: 12 5.820 1.599 0.324 0.885 0.909 0.818 CB 0.658 11 residues pruned to eliminate duplicates Z: 10 8.770 1.734 0.501 0.868 1.000 0.778 CB 0.821 10 residues pruned to eliminate duplicates Z: 16 9.571 1.771 0.474 0.534 0.867 0.467 CB 1.056 22 residues pruned to eliminate duplicates Z: 11 7.262 1.660 0.502 0.742 0.900 0.600 CB 0.824 11 residues pruned to eliminate duplicates Z: 10 8.734 1.887 0.442 0.467 0.889 0.444 CB 1.244 10 residues pruned to eliminate duplicates Z: 10 7.352 1.777 0.434 0.750 0.889 0.556 CB 0.866 10 residues pruned to eliminate duplicates Z: 12 6.253 1.714 0.357 0.410 0.909 0.364 CB 0.980 12 residues pruned to eliminate duplicates Z: 22 11.841 1.708 0.459 0.531 0.952 0.524 CB 1.055 16 residues pruned to eliminate duplicates Z: 8 4.369 1.412 0.479 0.467 0.857 0.286 CB 0.954 8 residues pruned to eliminate duplicates Z: 17 8.277 1.724 0.449 0.423 0.812 0.375 CB 1.105 17 residues pruned to eliminate duplicates Z: 11 5.736 1.798 0.183 0.385 0.800 0.500 CB 1.203 11 residues pruned to eliminate duplicates Z: 10 7.267 1.909 0.149 0.533 1.000 0.667 CB 1.069 10 residues pruned to eliminate duplicates Z: 16 9.931 1.747 0.462 0.456 0.933 0.400 CB 1.125 16 residues pruned to eliminate duplicates Z: 19 6.013 1.582 0.405 0.348 0.778 0.333 CB 0.967 19 residues pruned to eliminate duplicates Z: 15 5.670 1.724 0.273 0.380 0.643 0.429 CB 1.220 15 residues pruned to eliminate duplicates Z: 10 4.980 1.451 0.370 0.303 1.000 0.333 CB 1.041 10 residues pruned to eliminate duplicates Z: 10 4.837 1.452 0.539 0.332 0.778 0.444 O 1.116 10 residues pruned to eliminate duplicates Z: 7 5.500 1.371 0.502 0.614 1.000 0.500 O 0.979 7 residues pruned to eliminate duplicates Z: 17 13.228 1.731 0.698 0.706 0.938 0.875 CB 0.995 26 residues pruned to eliminate duplicates Z: 7 8.473 1.778 0.283 0.657 1.000 0.500 CB 1.310 Z: 6 11.125 1.792 0.540 0.830 1.000 0.400 CA 1.355 7 residues pruned to eliminate duplicates Z: 9 7.663 1.703 0.106 0.811 1.000 0.750 CA 1.097 8 residues pruned to eliminate duplicates Z: 8 7.313 1.686 0.338 0.773 1.000 0.571 CA 0.963 8 residues pruned to eliminate duplicates Z: 9 6.038 1.574 0.465 0.614 0.875 0.625 CB 0.950 9 residues pruned to eliminate duplicates Z: 8 5.591 1.609 0.298 0.841 0.857 0.429 CA 0.880 8 residues pruned to eliminate duplicates Z: 7 2.327 1.427 0.481 0.246 0.833 0.333 CA 0.723 Z: 12 10.849 1.748 0.510 0.724 0.909 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 8 3.492 1.743 0.262 0.240 0.714 0.571 CB 1.136 8 residues pruned to eliminate duplicates Z: 11 4.160 1.602 0.189 0.252 0.800 0.600 CB 1.148 11 residues pruned to eliminate duplicates Z: 9 16.040 1.979 0.501 0.792 1.000 0.875 CB 1.477 9 residues pruned to eliminate duplicates Z: 12 11.235 1.776 0.640 0.662 0.909 0.727 CB 1.101 12 residues pruned to eliminate duplicates Z: 12 9.980 1.712 0.666 0.700 0.909 0.545 CB 0.967 12 residues pruned to eliminate duplicates Z: 10 7.471 1.833 0.641 0.689 0.889 0.889 CB 0.784 10 residues pruned to eliminate duplicates Z: 9 11.760 1.940 0.681 0.794 0.875 0.750 CB 1.125 9 residues pruned to eliminate duplicates Z: 12 10.189 1.714 0.624 0.675 0.909 0.545 CB 1.034 12 residues pruned to eliminate duplicates Z: 8 9.101 1.618 0.675 0.881 0.857 0.714 CA 1.072 6 residues pruned to eliminate duplicates Z: 11 18.634 1.856 0.862 0.861 1.000 0.800 CB 1.253 11 residues pruned to eliminate duplicates Z: 11 15.454 1.770 0.747 0.902 0.900 0.700 CB 1.252 11 residues pruned to eliminate duplicates Z: 8 5.341 1.527 0.668 0.582 0.714 0.571 CB 1.026 9 residues pruned to eliminate duplicates Z: 10 9.335 1.541 0.468 0.875 1.000 0.889 CB 1.001 9 residues pruned to eliminate duplicates Z: 8 8.644 1.661 0.361 0.875 1.000 0.714 CB 1.051 8 residues pruned to eliminate duplicates Z: 13 5.352 1.414 0.311 0.556 0.917 0.583 CB 0.861 10 residues pruned to eliminate duplicates Z: 8 10.203 1.663 0.397 0.861 1.000 1.000 CB 1.219 9 residues pruned to eliminate duplicates Z: 8 11.561 1.665 0.572 0.798 1.000 0.857 N 1.286 8 residues pruned to eliminate duplicates Z: 16 8.615 1.680 0.300 0.462 1.000 0.533 CB 1.058 19 residues pruned to eliminate duplicates Z: 11 7.353 1.556 0.351 0.763 1.000 0.900 CB 0.875 11 residues pruned to eliminate duplicates Z: 17 8.636 1.648 0.374 0.453 0.938 0.562 CB 1.068 17 residues pruned to eliminate duplicates Z: 8 4.953 1.531 0.603 0.568 1.000 0.286 CB 0.714 Z: 11 10.459 1.605 0.510 0.681 0.900 0.600 N 1.284 11 residues pruned to eliminate duplicates Z: 28 15.109 1.812 0.399 0.447 0.963 0.593 CB 1.258 28 residues pruned to eliminate duplicates Z: 28 17.119 1.836 0.467 0.476 0.926 0.667 CB 1.354 43 residues pruned to eliminate duplicates Z: 11 8.529 1.504 0.279 0.812 1.000 0.600 CB 1.069 11 residues pruned to eliminate duplicates Z: 28 16.614 1.829 0.395 0.437 1.000 0.593 CB 1.337 28 residues pruned to eliminate duplicates Z: 18 14.322 1.891 0.455 0.495 1.000 0.588 CB 1.269 18 residues pruned to eliminate duplicates Z: 19 12.124 1.855 0.419 0.487 0.889 0.667 CB 1.238 19 residues pruned to eliminate duplicates Z: 31 16.394 1.785 0.480 0.430 0.900 0.500 CB 1.354 31 residues pruned to eliminate duplicates Z: 21 13.114 1.781 0.507 0.475 0.900 0.700 CB 1.245 21 residues pruned to eliminate duplicates Z: 19 11.849 1.873 0.598 0.426 0.778 0.611 CB 1.295 19 residues pruned to eliminate duplicates Z: 19 14.018 1.888 0.614 0.484 0.833 0.556 CB 1.322 19 residues pruned to eliminate duplicates Z: 19 13.639 1.891 0.586 0.475 0.833 0.611 CB 1.319 19 residues pruned to eliminate duplicates Z: 24 13.377 1.846 0.485 0.421 0.826 0.565 CB 1.338 24 residues pruned to eliminate duplicates Z: 18 14.931 1.895 0.619 0.519 0.882 0.647 CB 1.312 18 residues pruned to eliminate duplicates Z: 25 17.435 1.885 0.470 0.450 0.958 0.500 CB 1.410 26 residues pruned to eliminate duplicates Z: 14 11.586 1.776 0.164 0.918 0.923 0.923 CA 1.187 14 residues pruned to eliminate duplicates Z: 14 12.459 1.847 0.247 0.811 1.000 0.769 CA 1.144 14 residues pruned to eliminate duplicates Z: 14 18.504 1.904 0.560 0.896 1.000 0.923 CA 1.238 14 residues pruned to eliminate duplicates Z: 14 22.335 2.006 0.624 0.832 1.000 0.692 CA 1.427 14 residues pruned to eliminate duplicates Z: 15 21.629 1.952 0.456 0.838 1.000 0.857 CA 1.520 14 residues pruned to eliminate duplicates Z: 13 17.070 1.814 0.595 0.858 0.917 0.917 N 1.367 13 residues pruned to eliminate duplicates Z: 15 20.686 1.930 0.382 0.846 1.000 0.929 CA 1.540 15 residues pruned to eliminate duplicates Z: 14 18.821 2.030 0.430 0.805 0.923 0.769 CA 1.493 14 residues pruned to eliminate duplicates Z: 14 23.416 2.007 0.521 0.829 1.000 0.538 CB 1.601 14 residues pruned to eliminate duplicates Z: 26 18.473 1.791 0.591 0.635 0.840 0.600 CB 1.360 40 residues pruned to eliminate duplicates Z: 15 20.618 1.787 0.658 0.879 1.000 0.714 N 1.349 15 residues pruned to eliminate duplicates Z: 16 23.439 1.900 0.763 0.830 0.933 0.667 CA 1.456 17 residues pruned to eliminate duplicates Z: 12 12.397 1.663 0.317 0.870 1.000 0.818 CB 1.246 14 residues pruned to eliminate duplicates Z: 12 9.858 1.654 0.417 0.814 0.818 0.727 CB 1.179 12 residues pruned to eliminate duplicates Z: 13 8.997 1.736 0.476 0.647 0.833 0.667 CB 1.061 13 residues pruned to eliminate duplicates Z: 23 9.482 1.715 0.275 0.420 0.909 0.409 CB 1.105 22 residues pruned to eliminate duplicates Z: 11 11.639 1.736 0.454 0.810 0.900 0.600 CB 1.236 11 residues pruned to eliminate duplicates Z: 12 10.029 1.759 0.356 0.718 1.000 0.818 CB 1.040 13 residues pruned to eliminate duplicates Z: 10 14.293 1.744 0.667 0.883 1.000 0.778 CB 1.185 10 residues pruned to eliminate duplicates Z: 12 7.591 1.762 0.586 0.503 0.818 0.727 CB 0.998 12 residues pruned to eliminate duplicates Z: 23 8.230 1.729 0.242 0.332 0.864 0.636 CB 1.138 23 residues pruned to eliminate duplicates Z: 11 9.939 1.759 0.344 0.716 1.000 0.900 CB 1.094 11 residues pruned to eliminate duplicates Z: 11 9.170 1.762 0.397 0.722 1.000 0.800 CB 0.964 11 residues pruned to eliminate duplicates Z: 15 7.928 1.609 0.389 0.534 0.786 0.429 CB 1.167 15 residues pruned to eliminate duplicates Z: 22 7.051 1.663 0.156 0.376 0.857 0.476 CB 1.066 22 residues pruned to eliminate duplicates Z: 6 2.297 1.336 0.457 0.286 0.800 0.200 CB 0.840 6 residues pruned to eliminate duplicates Z: 23 10.149 1.707 0.199 0.445 0.909 0.500 CB 1.231 23 residues pruned to eliminate duplicates Z: 23 8.035 1.682 0.002 0.443 0.955 0.500 CB 1.128 23 residues pruned to eliminate duplicates Z: 12 5.477 1.713 -0.004 0.354 0.909 0.455 CB 1.247 6 residues pruned to eliminate duplicates Z: 12 9.521 1.595 0.613 0.727 0.909 0.727 CB 1.000 10 residues pruned to eliminate duplicates Z: 11 9.279 1.620 0.348 0.795 1.000 0.800 CB 1.037 11 residues pruned to eliminate duplicates Z: 12 7.502 1.577 0.397 0.724 1.000 0.727 CB 0.839 12 residues pruned to eliminate duplicates Z: 8 6.553 1.707 -0.029 0.831 1.000 0.714 CB 1.122 8 residues pruned to eliminate duplicates Z: 16 10.229 1.720 0.287 0.487 0.933 0.667 CB 1.296 19 residues pruned to eliminate duplicates Z: 7 8.050 1.799 0.172 0.861 1.000 0.667 CB 1.145 7 residues pruned to eliminate duplicates Z: 9 8.737 1.712 0.284 0.747 1.000 0.375 CB 1.126 8 residues pruned to eliminate duplicates Z: 9 9.478 1.699 0.627 0.833 0.875 0.750 CB 1.040 9 residues pruned to eliminate duplicates Z: 11 11.195 1.704 0.527 0.756 1.000 0.600 CB 1.083 11 residues pruned to eliminate duplicates Z: 11 10.090 1.674 0.380 0.729 1.000 0.500 CB 1.123 11 residues pruned to eliminate duplicates Z: 16 7.833 1.713 0.059 0.616 0.933 0.533 CB 1.070 16 residues pruned to eliminate duplicates Z: 13 7.256 1.674 0.158 0.651 0.917 0.500 CB 1.024 13 residues pruned to eliminate duplicates Z: 8 3.184 1.637 -0.096 0.402 0.857 0.286 CB 1.053 7 residues pruned to eliminate duplicates Z: 10 8.995 1.618 0.454 0.799 1.000 0.889 CB 0.981 9 residues pruned to eliminate duplicates Z: 10 12.845 1.522 0.600 0.810 1.000 0.556 O 1.342 10 residues pruned to eliminate duplicates Z: 8 14.154 1.769 0.800 0.832 1.000 0.714 CB 1.261 8 residues pruned to eliminate duplicates Z: 8 14.373 1.874 0.571 0.790 1.000 0.571 CB 1.431 8 residues pruned to eliminate duplicates Z: 13 11.455 1.664 0.630 0.534 1.000 0.667 CB 1.179 13 residues pruned to eliminate duplicates Z: 8 5.239 1.433 0.847 0.431 0.714 0.429 CB 1.125 8 residues pruned to eliminate duplicates Z: 14 9.484 1.581 0.678 0.500 0.923 0.385 CB 1.073 14 residues pruned to eliminate duplicates Z: 12 9.989 1.705 0.616 0.606 0.909 0.364 CB 1.088 12 residues pruned to eliminate duplicates Z: 10 6.318 1.597 0.106 0.714 0.889 0.667 CB 1.105 10 residues pruned to eliminate duplicates Z: 12 9.236 1.583 0.253 0.858 1.000 0.727 CB 1.034 12 residues pruned to eliminate duplicates Z: 10 10.600 1.668 0.486 0.791 0.889 0.778 N 1.242 10 residues pruned to eliminate duplicates Z: 11 11.850 1.631 0.468 0.772 1.000 0.500 CB 1.231 11 residues pruned to eliminate duplicates Z: 8 4.468 1.718 0.201 0.516 0.714 0.571 N 1.128 8 residues pruned to eliminate duplicates Z: 9 8.947 1.581 0.359 0.733 1.000 0.500 CB 1.194 9 residues pruned to eliminate duplicates Z: 8 8.443 1.747 0.207 0.748 1.000 0.714 CB 1.214 8 residues pruned to eliminate duplicates Z: 10 7.881 1.670 0.296 0.644 1.000 0.667 CB 1.061 10 residues pruned to eliminate duplicates Z: 8 8.567 1.775 0.332 0.708 0.857 0.714 CB 1.322 8 residues pruned to eliminate duplicates Z: 10 10.756 1.662 0.565 0.699 0.889 0.556 CB 1.294 9 residues pruned to eliminate duplicates Z: 10 9.350 1.549 0.393 0.894 1.000 0.778 CA 1.036 10 residues pruned to eliminate duplicates Z: 17 7.862 1.479 0.504 0.586 0.938 0.625 CB 0.867 17 residues pruned to eliminate duplicates Z: 11 9.968 1.525 0.494 0.795 0.900 0.800 CB 1.188 Z: 11 12.969 1.565 0.691 0.886 1.000 0.700 CA 1.118 22 residues pruned to eliminate duplicates Z: 10 8.509 1.567 0.721 0.669 0.778 0.667 CB 1.157 10 residues pruned to eliminate duplicates Z: 8 4.929 1.602 0.791 0.540 0.714 0.571 CB 0.874 8 residues pruned to eliminate duplicates Z: 16 8.837 1.734 0.624 0.345 0.867 0.400 CB 1.107 16 residues pruned to eliminate duplicates Z: 19 9.390 1.599 0.453 0.406 0.944 0.444 CB 1.113 19 residues pruned to eliminate duplicates Z: 19 8.640 1.593 0.453 0.421 0.889 0.333 CB 1.074 19 residues pruned to eliminate duplicates Z: 16 10.418 1.696 0.683 0.367 0.933 0.467 CB 1.165 16 residues pruned to eliminate duplicates Z: 16 9.383 1.741 0.533 0.302 0.867 0.467 CB 1.306 16 residues pruned to eliminate duplicates Z: 17 9.854 1.750 0.641 0.289 0.938 0.562 CB 1.161 17 residues pruned to eliminate duplicates Z: 20 10.548 1.614 0.512 0.425 0.895 0.579 CB 1.198 20 residues pruned to eliminate duplicates Z: 18 12.494 1.739 0.619 0.377 0.941 0.588 CB 1.303 18 residues pruned to eliminate duplicates Z: 18 10.980 1.749 0.573 0.345 0.882 0.647 CB 1.298 18 residues pruned to eliminate duplicates Z: 17 8.775 1.679 0.702 0.255 0.875 0.500 CB 1.162 17 residues pruned to eliminate duplicates Z: 20 10.597 1.664 0.475 0.497 0.895 0.737 CB 1.110 20 residues pruned to eliminate duplicates Z: 35 10.592 1.794 0.281 0.303 0.765 0.382 CB 1.288 35 residues pruned to eliminate duplicates Z: 11 5.297 1.684 0.509 0.242 0.800 0.600 CB 1.110 11 residues pruned to eliminate duplicates Z: 30 10.580 1.733 0.514 0.337 0.793 0.379 CB 1.128 30 residues pruned to eliminate duplicates Z: 24 9.623 1.682 0.543 0.345 0.826 0.478 CB 1.108 24 residues pruned to eliminate duplicates Z: 22 7.316 1.725 0.425 0.303 0.762 0.524 CB 1.062 22 residues pruned to eliminate duplicates Z: 30 9.701 1.741 0.451 0.308 0.793 0.483 CB 1.113 30 residues pruned to eliminate duplicates Z: 21 9.804 1.856 0.210 0.306 0.850 0.300 CB 1.425 21 residues pruned to eliminate duplicates Z: 12 5.052 1.764 0.409 0.374 0.636 0.273 CB 1.101 12 residues pruned to eliminate duplicates Z: 22 12.293 1.888 0.287 0.380 0.857 0.238 CB 1.462 22 residues pruned to eliminate duplicates Z: 21 13.009 1.888 0.379 0.419 0.800 0.400 CB 1.520 21 residues pruned to eliminate duplicates Z: 31 20.337 1.941 0.454 0.471 0.900 0.567 CB 1.505 31 residues pruned to eliminate duplicates Z: 21 10.786 1.938 0.157 0.338 0.850 0.350 CB 1.509 21 residues pruned to eliminate duplicates Z: 30 14.479 1.859 0.378 0.461 0.793 0.586 CB 1.376 30 residues pruned to eliminate duplicates Z: 27 16.498 1.865 0.456 0.507 0.885 0.615 CA 1.339 27 residues pruned to eliminate duplicates Z: 27 17.549 1.913 0.420 0.490 0.885 0.538 CA 1.446 27 residues pruned to eliminate duplicates Z: 13 9.305 1.838 0.478 0.455 0.750 0.417 CB 1.381 13 residues pruned to eliminate duplicates Z: 21 16.463 1.896 0.498 0.536 0.850 0.450 CB 1.472 21 residues pruned to eliminate duplicates Z: 18 11.514 1.870 0.339 0.428 0.882 0.412 CB 1.362 18 residues pruned to eliminate duplicates Z: 24 11.732 1.879 0.231 0.449 0.826 0.652 CB 1.349 24 residues pruned to eliminate duplicates Z: 20 13.623 1.949 0.392 0.477 0.842 0.632 CB 1.399 20 residues pruned to eliminate duplicates Z: 29 17.982 1.825 0.440 0.490 0.893 0.607 CA 1.464 29 residues pruned to eliminate duplicates Z: 16 10.015 1.900 0.283 0.428 0.733 0.667 CB 1.558 16 residues pruned to eliminate duplicates Z: 27 15.752 1.857 0.388 0.474 0.885 0.577 CB 1.391 27 residues pruned to eliminate duplicates Z: 32 15.330 1.767 0.488 0.442 0.871 0.677 CB 1.277 32 residues pruned to eliminate duplicates Z: 27 16.782 1.885 0.454 0.509 0.846 0.577 CB 1.405 27 residues pruned to eliminate duplicates Z: 37 15.723 1.856 0.461 0.418 0.833 0.583 CB 1.264 37 residues pruned to eliminate duplicates Z: 27 19.467 1.872 0.564 0.496 0.923 0.577 CB 1.417 27 residues pruned to eliminate duplicates Z: 11 14.439 1.991 0.324 0.695 1.000 0.800 CA 1.449 Z: 6 5.021 1.594 0.516 0.428 0.800 0.800 CA 1.252 6 residues pruned to eliminate duplicates Z: 6 6.575 1.701 0.710 0.417 0.800 0.600 CB 1.379 6 residues pruned to eliminate duplicates Z: 9 11.984 2.042 0.792 0.520 0.750 0.625 CB 1.513 8 residues pruned to eliminate duplicates Z: 6 3.208 1.374 0.912 0.434 0.800 0.400 N 0.731 6 residues pruned to eliminate duplicates Z: 11 15.192 2.019 0.580 0.681 0.900 0.900 CA 1.416 23 residues pruned to eliminate duplicates Z: 37 18.402 1.898 0.505 0.426 0.889 0.500 CB 1.305 37 residues pruned to eliminate duplicates Z: 34 16.655 1.950 0.496 0.385 0.818 0.545 CB 1.372 34 residues pruned to eliminate duplicates Z: 17 10.285 1.858 0.445 0.306 0.938 0.562 CB 1.267 17 residues pruned to eliminate duplicates Z: 31 13.797 1.902 0.456 0.362 0.833 0.533 CB 1.265 31 residues pruned to eliminate duplicates Z: 18 13.595 1.984 0.689 0.345 0.941 0.353 CB 1.237 42 residues pruned to eliminate duplicates Z: 19 14.973 1.855 0.335 0.772 0.944 0.889 CA 1.187 19 residues pruned to eliminate duplicates Z: 18 18.652 1.848 0.614 0.752 0.941 0.706 CA 1.287 18 residues pruned to eliminate duplicates Z: 17 20.328 1.897 0.806 0.839 0.875 0.750 CA 1.266 17 residues pruned to eliminate duplicates Z: 29 23.243 1.890 0.767 0.578 0.893 0.607 CA 1.366 29 residues pruned to eliminate duplicates Z: 18 20.398 1.821 0.844 0.765 0.941 0.588 CA 1.237 18 residues pruned to eliminate duplicates Z: 30 18.641 1.912 0.548 0.509 0.862 0.655 CB 1.344 30 residues pruned to eliminate duplicates Z: 17 19.534 1.855 0.842 0.859 0.938 0.688 CA 1.122 17 residues pruned to eliminate duplicates Z: 19 18.369 1.823 0.633 0.705 0.889 0.611 CA 1.358 17 residues pruned to eliminate duplicates Z: 17 25.757 1.883 0.751 0.882 1.000 0.875 N 1.413 19 residues pruned to eliminate duplicates Z: 18 21.053 1.785 0.624 0.880 1.000 0.706 CA 1.277 18 residues pruned to eliminate duplicates Z: 16 22.511 1.922 0.870 0.794 0.867 0.400 CA 1.442 16 residues pruned to eliminate duplicates Z: 32 24.936 1.905 0.695 0.676 0.839 0.645 CB 1.406 50 residues pruned to eliminate duplicates Z: 18 23.116 1.793 0.822 0.889 1.000 0.765 CA 1.236 18 residues pruned to eliminate duplicates Z: 23 15.277 1.822 0.568 0.556 0.864 0.500 CB 1.250 23 residues pruned to eliminate duplicates Z: 26 20.316 1.873 0.619 0.615 0.880 0.720 CB 1.365 26 residues pruned to eliminate duplicates Z: 17 26.242 1.944 0.958 0.781 0.875 0.562 CA 1.538 17 residues pruned to eliminate duplicates Z: 32 23.207 1.866 0.577 0.616 0.903 0.645 CA 1.406 32 residues pruned to eliminate duplicates Z: 17 8.172 1.812 0.148 0.392 0.875 0.375 CB 1.259 17 residues pruned to eliminate duplicates Z: 11 9.116 1.880 0.434 0.533 0.900 0.700 CB 1.150 11 residues pruned to eliminate duplicates Z: 17 12.351 1.892 0.333 0.586 0.938 0.562 CB 1.203 17 residues pruned to eliminate duplicates Z: 17 10.751 1.831 0.308 0.482 0.875 0.562 CB 1.305 17 residues pruned to eliminate duplicates Z: 54 13.262 1.761 0.503 0.311 0.792 0.528 CB 1.071 40 residues pruned to eliminate duplicates Z: 9 4.279 1.736 0.138 0.543 0.750 0.500 CA 0.979 9 residues pruned to eliminate duplicates Z: 18 10.979 1.842 0.415 0.449 0.882 0.529 CB 1.220 18 residues pruned to eliminate duplicates Z: 37 21.586 1.915 0.610 0.585 0.861 0.528 CB 1.248 37 residues pruned to eliminate duplicates Z: 28 12.356 1.799 0.292 0.418 0.889 0.407 CB 1.253 28 residues pruned to eliminate duplicates Z: 7 6.709 1.858 0.301 0.540 0.833 0.333 CB 1.307 7 residues pruned to eliminate duplicates Z: 17 9.023 1.889 0.417 0.338 0.812 0.312 CB 1.238 17 residues pruned to eliminate duplicates Z: 27 16.495 1.778 0.494 0.555 0.923 0.769 CB 1.251 47 residues pruned to eliminate duplicates Z: 15 17.417 1.960 0.347 0.861 1.000 0.786 CA 1.296 15 residues pruned to eliminate duplicates Z: 46 29.086 1.904 0.623 0.699 0.933 0.511 CB 1.254 47 residues pruned to eliminate duplicates Z: 17 13.335 1.918 0.321 0.778 0.938 0.625 CB 1.098 17 residues pruned to eliminate duplicates Z: 21 18.863 1.948 0.394 0.734 0.950 0.800 CB 1.324 21 residues pruned to eliminate duplicates Z: 24 16.552 1.851 0.405 0.684 0.870 0.652 CB 1.289 24 residues pruned to eliminate duplicates Z: 32 21.987 1.900 0.519 0.635 1.000 0.613 CB 1.206 32 residues pruned to eliminate duplicates Z: 23 21.116 1.876 0.504 0.687 1.000 0.864 CB 1.345 21 residues pruned to eliminate duplicates Z: 15 19.929 1.943 0.610 0.868 1.000 0.714 CB 1.245 18 residues pruned to eliminate duplicates Z: 16 15.650 1.915 0.284 0.823 0.933 0.867 CB 1.331 16 residues pruned to eliminate duplicates Z: 23 14.632 1.905 0.259 0.675 0.909 0.682 CB 1.218 23 residues pruned to eliminate duplicates Z: 14 10.432 1.812 0.711 0.485 0.923 0.538 CB 1.027 8 residues pruned to eliminate duplicates Z: 8 5.226 1.538 0.347 0.603 1.000 0.857 CB 0.864 6 residues pruned to eliminate duplicates Z: 6 5.806 1.457 0.817 0.482 1.000 1.000 CA 0.999 6 residues pruned to eliminate duplicates Z: 17 12.278 1.931 0.641 0.447 0.875 0.688 CB 1.169 14 residues pruned to eliminate duplicates Z: 10 8.186 1.495 0.996 0.572 0.889 0.444 CB 0.960 10 residues pruned to eliminate duplicates Z: 12 11.325 1.835 0.480 0.614 0.909 0.636 CB 1.241 12 residues pruned to eliminate duplicates Z: 20 11.819 1.855 0.629 0.417 0.842 0.474 CB 1.162 17 residues pruned to eliminate duplicates Z: 6 11.483 1.737 1.138 0.693 0.800 0.600 CA 1.448 8 residues pruned to eliminate duplicates Z: 7 6.302 1.855 0.565 0.479 0.833 0.667 CA 1.086 5 residues pruned to eliminate duplicates Z: 7 9.285 1.890 0.616 0.455 1.000 0.333 CA 1.300 7 residues pruned to eliminate duplicates 6 1.690 1.149 0.460 0.340 0.800 0.000 CA 0.670 ? Z: 12 10.215 1.828 0.692 0.599 0.909 0.545 CB 0.997 3 residues pruned to eliminate duplicates Z: 14 16.957 1.887 0.964 0.656 0.923 0.462 CB 1.190 13 residues pruned to eliminate duplicates Z: 12 11.630 1.876 0.639 0.761 0.909 0.727 CB 0.995 12 residues pruned to eliminate duplicates Z: 24 15.036 1.876 0.445 0.611 0.957 0.565 CB 1.088 24 residues pruned to eliminate duplicates Z: 12 10.615 2.004 0.297 0.750 1.000 0.727 CB 0.986 9 residues pruned to eliminate duplicates Z: 13 9.897 1.698 0.399 0.837 1.000 0.750 CB 0.900 13 residues pruned to eliminate duplicates Z: 17 11.851 1.985 0.587 0.404 0.875 0.688 CB 1.189 17 residues pruned to eliminate duplicates Z: 12 10.087 1.840 0.651 0.683 1.000 0.727 CB 0.846 15 residues pruned to eliminate duplicates Z: 10 15.554 2.076 0.759 0.830 1.000 0.778 CB 1.068 9 residues pruned to eliminate duplicates Z: 10 14.330 2.048 0.537 0.843 1.000 0.889 CB 1.129 10 residues pruned to eliminate duplicates Z: 21 15.453 1.891 0.646 0.473 0.950 0.500 CB 1.201 21 residues pruned to eliminate duplicates Z: 6 3.375 1.575 0.392 0.177 0.800 0.400 N 1.271 5 residues pruned to eliminate duplicates Z: 6 5.778 1.456 0.596 0.454 1.000 0.600 CA 1.166 6 residues pruned to eliminate duplicates Z: 9 7.362 1.658 0.629 0.366 0.875 0.750 CB 1.273 9 residues pruned to eliminate duplicates Z: 12 9.098 1.661 0.620 0.387 0.909 0.455 CB 1.264 14 residues pruned to eliminate duplicates Z: 7 3.483 1.682 0.143 0.448 1.000 0.500 CB 0.780 7 residues pruned to eliminate duplicates Z: 11 8.045 1.761 0.486 0.316 0.900 0.600 CB 1.325 11 residues pruned to eliminate duplicates Z: 14 11.624 1.677 0.773 0.379 1.000 0.538 CB 1.234 15 residues pruned to eliminate duplicates 6 1.664 1.247 0.415 0.407 0.600 0.400 N 0.775 ? Z: 6 3.302 1.508 0.220 0.377 0.800 0.400 CA 1.144 6 residues pruned to eliminate duplicates Z: 24 7.973 1.695 0.109 0.310 0.870 0.217 CB 1.256 23 residues pruned to eliminate duplicates Z: 6 6.047 1.675 0.437 0.304 1.000 0.600 O 1.399 6 residues pruned to eliminate duplicates Z: 17 8.807 1.772 0.329 0.378 0.812 0.375 CB 1.311 17 residues pruned to eliminate duplicates Z: 7 5.189 1.389 1.146 0.461 0.833 0.333 CB 0.888 7 residues pruned to eliminate duplicates Z: 7 3.348 1.776 0.553 0.203 0.667 0.167 CB 1.057 Z: 6 5.617 1.530 0.824 0.787 0.800 0.800 CB 0.874 Z: 6 3.179 1.309 0.818 0.792 0.800 0.600 CB 0.578 5 residues pruned to eliminate duplicates Z: 6 2.307 1.332 0.616 0.414 1.000 0.800 CA 0.525 6 residues pruned to eliminate duplicates Z: 31 11.782 1.722 0.382 0.443 0.833 0.467 CB 1.151 42 residues pruned to eliminate duplicates Z: 7 4.829 1.250 1.124 0.562 1.000 0.667 CA 0.699 5 residues pruned to eliminate duplicates Z: 17 17.766 1.787 0.649 0.788 0.938 0.688 CA 1.248 17 residues pruned to eliminate duplicates Z: 15 16.624 1.879 0.749 0.746 0.857 0.714 CA 1.266 15 residues pruned to eliminate duplicates Z: 15 17.857 1.906 0.797 0.708 0.857 0.643 CA 1.346 15 residues pruned to eliminate duplicates Z: 16 14.008 1.773 0.735 0.674 0.800 0.667 CA 1.252 16 residues pruned to eliminate duplicates Z: 16 20.817 1.762 1.040 0.780 0.867 0.733 CA 1.348 16 residues pruned to eliminate duplicates Z: 14 18.568 1.918 0.843 0.776 0.846 0.692 CA 1.350 14 residues pruned to eliminate duplicates Z: 22 15.917 1.766 0.561 0.747 0.857 0.714 CA 1.179 22 residues pruned to eliminate duplicates Z: 17 13.967 1.619 0.948 0.794 0.938 0.688 CA 0.913 17 residues pruned to eliminate duplicates Z: 13 26.003 1.905 1.097 0.910 1.000 0.583 CA 1.332 13 residues pruned to eliminate duplicates Z: 18 19.769 1.798 0.876 0.654 0.882 0.471 CA 1.396 18 residues pruned to eliminate duplicates Z: 17 19.492 1.825 0.809 0.669 0.938 0.688 CB 1.348 17 residues pruned to eliminate duplicates Z: 17 19.308 1.730 0.898 0.859 0.938 0.250 CB 1.154 17 residues pruned to eliminate duplicates Z: 23 22.146 1.847 0.669 0.681 0.909 0.727 CA 1.426 25 residues pruned to eliminate duplicates Z: 9 12.991 1.678 0.909 0.703 0.875 0.375 CA 1.362 9 residues pruned to eliminate duplicates Z: 23 20.862 1.771 0.798 0.717 0.864 0.455 CA 1.329 23 residues pruned to eliminate duplicates Z: 27 20.048 1.772 0.619 0.601 0.923 0.654 CB 1.349 27 residues pruned to eliminate duplicates Z: 25 21.165 1.845 0.660 0.649 0.875 0.542 CB 1.404 24 residues pruned to eliminate duplicates Z: 6 2.757 1.481 0.430 0.409 0.800 0.400 CA 0.800 6 residues pruned to eliminate duplicates Z: 24 23.368 1.838 0.647 0.674 0.957 0.478 CB 1.433 24 residues pruned to eliminate duplicates Z: 8 3.485 1.266 0.230 0.527 0.857 0.714 O 0.961 6 residues pruned to eliminate duplicates Z: 6 6.654 1.698 0.445 0.664 1.000 0.800 CA 1.041 6 residues pruned to eliminate duplicates Z: 22 19.576 1.870 0.643 0.665 0.857 0.571 CB 1.392 22 residues pruned to eliminate duplicates Z: 23 21.398 1.878 0.607 0.679 0.864 0.682 CB 1.484 23 residues pruned to eliminate duplicates Z: 25 21.227 1.861 0.713 0.590 0.875 0.750 CB 1.425 25 residues pruned to eliminate duplicates Z: 15 17.646 1.859 0.637 0.622 0.929 0.786 CB 1.488 18 residues pruned to eliminate duplicates Z: 18 22.325 1.859 0.667 0.724 1.000 0.588 CB 1.427 18 residues pruned to eliminate duplicates Z: 24 18.637 1.849 0.509 0.584 0.870 0.609 CB 1.478 24 residues pruned to eliminate duplicates Z: 22 23.291 1.902 0.582 0.638 0.952 0.619 CB 1.557 22 residues pruned to eliminate duplicates Z: 25 19.494 1.764 0.628 0.602 0.917 0.625 CB 1.371 25 residues pruned to eliminate duplicates Z: 23 11.451 1.769 0.477 0.394 0.818 0.273 CB 1.278 23 residues pruned to eliminate duplicates Z: 24 18.213 1.832 0.490 0.600 0.870 0.565 CB 1.454 24 residues pruned to eliminate duplicates Z: 23 23.000 1.866 0.656 0.654 0.909 0.682 CA 1.512 23 residues pruned to eliminate duplicates Z: 24 20.691 1.883 0.502 0.616 0.957 0.783 CB 1.429 24 residues pruned to eliminate duplicates Z: 22 19.250 1.913 0.470 0.638 0.905 0.571 CB 1.451 22 residues pruned to eliminate duplicates Z: 22 15.037 1.850 0.388 0.557 0.857 0.524 CB 1.410 22 residues pruned to eliminate duplicates Z: 22 21.759 1.902 0.638 0.669 0.857 0.571 CA 1.522 22 residues pruned to eliminate duplicates Z: 17 11.825 1.798 0.292 0.668 0.875 0.750 CB 1.245 17 residues pruned to eliminate duplicates Z: 22 21.529 1.914 0.456 0.667 0.952 0.619 CA 1.517 22 residues pruned to eliminate duplicates Z: 22 18.345 1.860 0.564 0.611 0.857 0.762 CA 1.445 22 residues pruned to eliminate duplicates Z: 27 18.852 1.817 0.452 0.590 0.923 0.692 CA 1.393 27 residues pruned to eliminate duplicates Z: 43 22.951 1.839 0.479 0.504 0.952 0.643 CA 1.361 42 residues pruned to eliminate duplicates Z: 6 2.796 1.540 0.322 0.465 0.800 0.800 CB 0.796 6 residues pruned to eliminate duplicates Z: 11 10.406 1.792 0.697 0.564 1.000 0.700 CB 1.017 11 residues pruned to eliminate duplicates Z: 10 11.021 1.821 0.531 0.625 0.889 0.778 CA 1.318 10 residues pruned to eliminate duplicates Z: 25 10.305 1.898 0.489 0.333 0.833 0.500 CB 1.072 27 residues pruned to eliminate duplicates Z: 7 6.807 1.963 0.515 0.518 1.000 0.833 CB 0.918 7 residues pruned to eliminate duplicates Z: 11 8.672 1.915 0.447 0.262 1.000 0.500 CB 1.298 11 residues pruned to eliminate duplicates Z: 16 9.181 1.862 0.580 0.391 0.800 0.533 CB 1.130 16 residues pruned to eliminate duplicates Z: 53 22.538 1.809 0.616 0.484 0.904 0.519 CB 1.202 50 residues pruned to eliminate duplicates Z: 14 14.040 1.875 0.507 0.645 0.923 0.308 CB 1.304 14 residues pruned to eliminate duplicates Z: 13 6.221 1.876 0.181 0.326 0.833 0.583 CB 1.177 13 residues pruned to eliminate duplicates Z: 22 7.900 1.895 0.395 0.271 0.762 0.476 CB 1.110 22 residues pruned to eliminate duplicates Z: 7 5.654 1.675 0.319 0.685 1.000 0.500 CA 0.882 Z: 9 15.332 1.895 0.752 0.843 1.000 0.625 CB 1.215 9 residues pruned to eliminate duplicates Z: 11 11.387 1.918 0.488 0.808 0.800 0.700 CB 1.206 9 residues pruned to eliminate duplicates Z: 10 14.685 1.827 0.536 0.869 1.000 0.889 CB 1.274 18 residues pruned to eliminate duplicates Z: 9 11.960 1.911 0.387 0.864 1.000 1.000 CB 1.170 9 residues pruned to eliminate duplicates Z: 17 10.988 1.903 0.537 0.531 0.812 0.625 CB 1.121 16 residues pruned to eliminate duplicates Z: 10 15.953 1.831 0.741 0.807 1.000 0.778 CB 1.277 10 residues pruned to eliminate duplicates Z: 9 16.107 1.897 0.853 0.737 1.000 0.625 CB 1.309 9 residues pruned to eliminate duplicates Z: 20 14.024 1.906 0.326 0.525 0.947 0.737 CB 1.311 10 residues pruned to eliminate duplicates Z: 6 2.295 1.318 0.591 0.247 0.800 0.400 CA 0.818 Z: 6 5.440 1.574 0.423 0.348 1.000 1.000 CA 1.282 Z: 7 9.485 2.115 0.523 0.346 0.833 0.500 CA 1.705 7 residues pruned to eliminate duplicates Z: 10 7.550 1.830 0.534 0.235 0.889 0.556 CB 1.373 10 residues pruned to eliminate duplicates Z: 40 8.722 1.621 0.513 0.171 0.769 0.385 CB 1.104 45 residues pruned to eliminate duplicates Z: 6 6.709 1.887 0.356 0.421 1.000 0.400 CA 1.273 6 residues pruned to eliminate duplicates Z: 15 10.371 1.882 0.551 0.400 0.857 0.500 CB 1.231 15 residues pruned to eliminate duplicates Z: 25 10.160 1.867 0.467 0.380 0.708 0.417 CB 1.214 25 residues pruned to eliminate duplicates Z: 21 12.003 1.902 0.476 0.448 0.850 0.450 CB 1.187 48 residues pruned to eliminate duplicates Z: 8 3.690 1.364 0.449 0.580 1.000 0.571 CA 0.654 8 residues pruned to eliminate duplicates Z: 20 9.251 1.782 0.487 0.296 0.842 0.526 CB 1.194 20 residues pruned to eliminate duplicates Z: 10 3.528 1.771 0.180 0.168 0.667 0.444 CA 1.264 10 residues pruned to eliminate duplicates Z: 20 20.116 1.964 0.609 0.674 0.947 0.684 CB 1.313 21 residues pruned to eliminate duplicates Z: 22 8.745 1.684 0.504 0.426 0.714 0.333 CB 1.140 22 residues pruned to eliminate duplicates Z: 13 12.645 1.698 0.755 0.611 0.833 0.417 CA 1.323 13 residues pruned to eliminate duplicates Z: 22 15.810 1.915 0.349 0.669 1.000 0.571 CB 1.143 22 residues pruned to eliminate duplicates Z: 18 14.225 1.859 0.278 0.718 0.882 0.588 CB 1.351 18 residues pruned to eliminate duplicates Z: 28 16.798 1.757 0.508 0.611 0.852 0.593 CB 1.290 28 residues pruned to eliminate duplicates Z: 22 17.792 1.934 0.365 0.641 0.952 0.667 CB 1.354 22 residues pruned to eliminate duplicates Z: 23 15.940 1.874 0.563 0.627 0.864 0.591 CB 1.192 23 residues pruned to eliminate duplicates Z: 35 14.049 1.822 0.357 0.536 0.794 0.471 CB 1.185 43 residues pruned to eliminate duplicates Z: 8 11.936 2.009 0.359 0.779 1.000 0.571 CB 1.291 8 residues pruned to eliminate duplicates Z: 12 9.263 1.875 0.364 0.566 0.909 0.455 CB 1.126 12 residues pruned to eliminate duplicates Z: 11 13.441 1.931 0.625 0.692 1.000 0.600 CB 1.136 11 residues pruned to eliminate duplicates Z: 20 10.014 1.796 0.443 0.433 0.789 0.316 CB 1.203 20 residues pruned to eliminate duplicates Z: 17 11.197 1.827 0.583 0.454 0.812 0.250 CB 1.248 17 residues pruned to eliminate duplicates Z: 13 8.197 1.882 0.342 0.482 0.750 0.333 CB 1.272 13 residues pruned to eliminate duplicates Z: 22 7.725 1.752 0.416 0.322 0.714 0.381 CB 1.158 30 residues pruned to eliminate duplicates Z: 14 5.282 1.733 0.193 0.384 0.692 0.615 CB 1.158 14 residues pruned to eliminate duplicates Z: 8 7.136 1.813 0.118 0.478 1.000 0.714 CB 1.359 8 residues pruned to eliminate duplicates Z: 22 10.699 1.674 0.566 0.364 0.810 0.524 CB 1.273 22 residues pruned to eliminate duplicates Z: 9 8.919 1.849 0.222 0.535 1.000 0.750 CB 1.348 9 residues pruned to eliminate duplicates Z: 20 6.481 1.688 0.345 0.331 0.737 0.579 CB 1.069 20 residues pruned to eliminate duplicates Z: 12 5.409 1.670 0.079 0.463 0.818 0.545 N 1.148 12 residues pruned to eliminate duplicates Z: 17 7.620 1.700 0.182 0.387 0.875 0.625 CB 1.222 17 residues pruned to eliminate duplicates Z: 7 2.791 1.709 0.243 0.554 0.833 0.833 CB 0.611 7 residues pruned to eliminate duplicates 7 1.639 1.558 0.211 0.406 0.667 0.500 CB 0.587 ? Z: 28 16.145 1.741 0.394 0.716 0.889 0.704 CB 1.185 24 residues pruned to eliminate duplicates Z: 7 6.124 1.494 0.802 0.551 0.833 0.667 CB 1.059 7 residues pruned to eliminate duplicates Z: 17 7.514 1.638 0.355 0.425 0.812 0.562 CB 1.127 17 residues pruned to eliminate duplicates Z: 23 12.542 1.709 0.320 0.564 0.955 0.409 CB 1.168 23 residues pruned to eliminate duplicates Z: 8 4.378 1.619 0.587 0.408 0.714 0.571 CB 0.994 8 residues pruned to eliminate duplicates Z: 31 20.150 1.817 0.471 0.658 0.933 0.600 CB 1.274 36 residues pruned to eliminate duplicates Z: 31 20.218 1.805 0.595 0.649 0.933 0.533 CB 1.196 25 residues pruned to eliminate duplicates Z: 12 15.778 1.942 0.528 0.842 0.818 0.545 CB 1.461 12 residues pruned to eliminate duplicates Z: 17 15.092 1.828 0.500 0.751 0.812 0.562 N 1.354 17 residues pruned to eliminate duplicates Z: 22 15.897 1.732 0.536 0.644 0.905 0.524 CB 1.261 22 residues pruned to eliminate duplicates Z: 25 20.523 1.819 0.479 0.742 0.958 0.667 CB 1.307 25 residues pruned to eliminate duplicates Z: 12 19.663 2.052 0.527 0.813 1.000 0.455 CA 1.441 12 residues pruned to eliminate duplicates Z: 20 18.118 1.877 0.498 0.597 0.947 0.421 CB 1.422 20 residues pruned to eliminate duplicates Z: 13 17.576 1.910 0.494 0.792 1.000 0.833 N 1.376 13 residues pruned to eliminate duplicates Z: 21 13.684 1.718 0.380 0.616 0.950 0.700 CB 1.217 21 residues pruned to eliminate duplicates Z: 20 12.699 1.875 0.343 0.514 0.895 0.526 CB 1.275 20 residues pruned to eliminate duplicates Z: 28 17.541 1.823 0.403 0.578 0.963 0.593 CB 1.271 28 residues pruned to eliminate duplicates Z: 36 20.948 1.775 0.619 0.581 0.886 0.629 CB 1.287 38 residues pruned to eliminate duplicates Z: 15 15.950 1.866 0.528 0.728 0.929 0.429 CA 1.312 15 residues pruned to eliminate duplicates Z: 8 5.346 1.784 0.354 0.224 0.857 0.286 CB 1.348 8 residues pruned to eliminate duplicates Z: 6 6.117 1.869 0.346 0.323 1.000 0.200 CB 1.322 6 residues pruned to eliminate duplicates Z: 12 7.035 1.631 0.586 0.314 0.818 0.364 CA 1.231 12 residues pruned to eliminate duplicates Z: 21 10.878 1.671 0.565 0.489 0.850 0.400 CB 1.106 21 residues pruned to eliminate duplicates Z: 21 9.658 1.611 0.483 0.492 0.850 0.550 CB 1.072 21 residues pruned to eliminate duplicates Z: 21 9.794 1.588 0.483 0.485 0.900 0.450 CA 1.050 21 residues pruned to eliminate duplicates Z: 24 10.152 1.634 0.588 0.419 0.870 0.478 CB 1.021 24 residues pruned to eliminate duplicates Z: 14 8.801 1.622 0.415 0.618 0.846 0.615 CB 1.125 14 residues pruned to eliminate duplicates Z: 12 10.410 1.773 0.450 0.710 0.818 0.818 CB 1.233 12 residues pruned to eliminate duplicates Z: 15 10.066 1.615 0.374 0.601 0.929 0.714 CB 1.186 15 residues pruned to eliminate duplicates Z: 13 11.236 1.762 0.723 0.631 0.917 0.500 CB 1.031 13 residues pruned to eliminate duplicates Z: 15 12.425 1.649 0.840 0.634 0.929 0.643 CB 1.039 15 residues pruned to eliminate duplicates Z: 20 10.404 1.692 0.529 0.570 0.895 0.526 CB 0.964 20 residues pruned to eliminate duplicates Z: 14 12.877 1.672 0.638 0.598 1.000 0.538 CB 1.187 14 residues pruned to eliminate duplicates Z: 31 15.444 1.680 0.561 0.501 0.900 0.600 CB 1.194 31 residues pruned to eliminate duplicates Z: 9 4.948 1.487 0.193 0.421 1.000 0.250 CB 1.071 Z: 6 2.258 1.495 0.005 0.299 1.000 0.600 CB 0.842 6 residues pruned to eliminate duplicates Z: 10 3.915 1.459 0.228 0.263 1.000 0.333 CB 0.954 10 residues pruned to eliminate duplicates Z: 13 9.493 1.799 0.338 0.781 0.917 0.583 CB 0.970 13 residues pruned to eliminate duplicates Z: 12 9.091 1.870 0.347 0.736 0.909 0.727 CB 0.968 12 residues pruned to eliminate duplicates Z: 10 14.420 1.846 0.601 0.777 1.000 0.778 CB 1.273 14 residues pruned to eliminate duplicates Z: 12 9.542 1.847 0.430 0.742 1.000 0.364 CB 0.877 12 residues pruned to eliminate duplicates Z: 10 8.895 1.938 0.477 0.665 0.778 0.444 CB 1.143 10 residues pruned to eliminate duplicates Z: 13 10.012 1.828 0.518 0.584 0.917 0.333 CB 1.048 13 residues pruned to eliminate duplicates Z: 13 12.040 1.810 0.678 0.599 0.917 0.417 CB 1.135 13 residues pruned to eliminate duplicates Z: 12 10.856 1.796 0.498 0.800 1.000 0.273 CB 0.936 12 residues pruned to eliminate duplicates Z: 11 13.707 1.883 0.750 0.805 1.000 0.600 CB 1.008 11 residues pruned to eliminate duplicates Z: 14 12.319 1.794 0.734 0.724 0.923 0.615 CB 0.972 14 residues pruned to eliminate duplicates Z: 7 8.687 1.680 0.669 0.892 1.000 0.833 CA 0.908 7 residues pruned to eliminate duplicates Z: 8 10.621 1.626 0.901 0.862 1.000 0.714 CA 0.953 8 residues pruned to eliminate duplicates Z: 8 9.621 1.652 0.594 0.911 1.000 0.571 CA 0.979 8 residues pruned to eliminate duplicates Z: 6 9.333 1.612 0.751 0.847 1.000 0.600 CA 1.098 6 residues pruned to eliminate duplicates Z: 10 5.191 1.541 0.761 0.472 0.778 0.333 CB 0.843 10 residues pruned to eliminate duplicates Z: 21 10.279 1.840 0.363 0.583 0.850 0.650 CB 0.995 20 residues pruned to eliminate duplicates Z: 13 7.579 1.695 0.254 0.787 0.917 0.583 CB 0.872 13 residues pruned to eliminate duplicates Z: 15 8.651 1.704 0.286 0.636 0.929 0.500 CB 1.001 15 residues pruned to eliminate duplicates Z: 10 10.415 1.775 0.446 0.865 0.889 0.556 CB 1.115 10 residues pruned to eliminate duplicates Z: 24 12.451 1.842 0.386 0.584 0.957 0.739 CB 0.980 24 residues pruned to eliminate duplicates Z: 15 10.681 1.818 0.262 0.769 0.929 0.786 CB 1.056 15 residues pruned to eliminate duplicates Z: 15 9.051 1.829 0.313 0.711 0.857 0.714 CB 0.970 15 residues pruned to eliminate duplicates Z: 24 13.419 1.848 0.572 0.580 0.913 0.565 CB 0.976 24 residues pruned to eliminate duplicates Z: 24 12.467 1.822 0.503 0.592 0.957 0.522 CB 0.909 24 residues pruned to eliminate duplicates Z: 16 10.417 1.809 0.371 0.751 0.867 0.533 CB 1.000 16 residues pruned to eliminate duplicates Z: 16 8.125 1.786 0.474 0.317 0.933 0.533 CB 1.045 16 residues pruned to eliminate duplicates Z: 9 7.516 1.696 0.961 0.371 0.750 0.625 CB 1.223 9 residues pruned to eliminate duplicates Z: 23 12.635 1.846 0.411 0.563 0.955 0.545 CB 1.019 23 residues pruned to eliminate duplicates Z: 23 13.114 1.824 0.556 0.539 0.955 0.682 CB 0.994 23 residues pruned to eliminate duplicates Z: 12 7.325 1.772 0.304 0.441 1.000 0.636 CB 1.016 12 residues pruned to eliminate duplicates Z: 12 7.288 1.798 0.380 0.369 1.000 0.545 CB 1.018 12 residues pruned to eliminate duplicates Z: 17 7.787 1.709 0.373 0.357 0.875 0.625 CB 1.106 17 residues pruned to eliminate duplicates Z: 26 12.074 1.759 0.555 0.536 0.920 0.600 CB 0.926 26 residues pruned to eliminate duplicates Z: 25 11.094 1.711 0.723 0.422 0.833 0.458 CB 1.000 25 residues pruned to eliminate duplicates Z: 12 6.963 1.755 0.595 0.293 0.818 0.455 CB 1.156 12 residues pruned to eliminate duplicates Z: 9 7.096 1.802 0.342 0.390 1.000 0.500 CB 1.166 9 residues pruned to eliminate duplicates Z: 9 9.440 1.837 0.531 0.382 1.000 0.500 CB 1.345 9 residues pruned to eliminate duplicates Z: 31 14.426 1.807 0.348 0.520 0.833 0.433 CB 1.273 31 residues pruned to eliminate duplicates Z: 27 18.520 1.857 0.564 0.490 0.885 0.615 CB 1.428 27 residues pruned to eliminate duplicates Z: 11 12.150 1.966 0.487 0.422 1.000 0.500 CB 1.424 20 residues pruned to eliminate duplicates Z: 6 8.223 1.750 0.930 0.642 0.800 0.400 CA 1.192 6 residues pruned to eliminate duplicates Z: 15 9.263 1.917 0.598 0.347 0.929 0.571 CB 1.028 15 residues pruned to eliminate duplicates Z: 10 12.357 1.964 0.594 0.475 1.000 0.667 CB 1.349 10 residues pruned to eliminate duplicates Z: 21 19.473 1.983 0.594 0.601 0.950 0.650 CB 1.317 21 residues pruned to eliminate duplicates Z: 31 19.081 1.858 0.510 0.647 0.900 0.733 CB 1.202 31 residues pruned to eliminate duplicates Z: 19 21.977 2.033 0.618 0.668 1.000 0.778 CB 1.348 19 residues pruned to eliminate duplicates Z: 25 22.165 1.931 0.703 0.650 0.958 0.667 CB 1.248 25 residues pruned to eliminate duplicates Z: 20 21.840 1.979 0.730 0.667 0.947 0.684 CB 1.323 22 residues pruned to eliminate duplicates Z: 20 19.055 1.824 0.473 0.745 1.000 0.737 CB 1.307 20 residues pruned to eliminate duplicates Z: 35 24.383 1.875 0.757 0.553 0.882 0.588 CB 1.367 35 residues pruned to eliminate duplicates Z: 27 20.541 1.909 0.487 0.631 0.885 0.615 CB 1.418 27 residues pruned to eliminate duplicates Z: 25 14.812 1.860 0.472 0.589 0.833 0.708 CB 1.216 25 residues pruned to eliminate duplicates Z: 24 16.682 1.887 0.500 0.538 0.957 0.609 CB 1.238 24 residues pruned to eliminate duplicates Z: 21 21.295 1.965 0.481 0.643 1.000 0.750 CB 1.431 19 residues pruned to eliminate duplicates Z: 20 15.004 1.788 0.289 0.790 0.895 0.789 CA 1.294 20 residues pruned to eliminate duplicates Z: 28 14.421 1.784 0.489 0.563 0.778 0.519 CB 1.263 28 residues pruned to eliminate duplicates Z: 23 21.622 1.952 0.458 0.647 1.000 0.545 CA 1.412 23 residues pruned to eliminate duplicates Z: 27 24.490 1.902 0.606 0.644 0.962 0.500 CB 1.429 27 residues pruned to eliminate duplicates Z: 33 27.223 1.909 0.734 0.654 0.969 0.562 CB 1.300 33 residues pruned to eliminate duplicates Z: 21 16.915 1.785 0.608 0.568 0.900 0.500 CB 1.371 21 residues pruned to eliminate duplicates Z: 8 3.259 1.554 0.366 0.297 0.714 0.000 CB 1.019 8 residues pruned to eliminate duplicates Z: 35 21.858 1.900 0.613 0.581 0.912 0.471 CB 1.241 35 residues pruned to eliminate duplicates Z: 26 18.035 1.876 0.440 0.629 0.880 0.600 CB 1.344 26 residues pruned to eliminate duplicates Z: 37 21.333 1.841 0.615 0.523 0.944 0.528 CB 1.237 37 residues pruned to eliminate duplicates Z: 24 13.157 1.746 0.402 0.555 0.913 0.522 CB 1.163 24 residues pruned to eliminate duplicates Z: 14 10.077 1.845 0.315 0.508 0.923 0.462 CB 1.238 14 residues pruned to eliminate duplicates Z: 15 10.888 1.828 0.375 0.544 0.929 0.500 CB 1.195 15 residues pruned to eliminate duplicates Z: 32 23.645 1.917 0.489 0.682 0.968 0.742 CB 1.300 32 residues pruned to eliminate duplicates Z: 37 21.821 1.883 0.517 0.549 0.917 0.472 CB 1.324 37 residues pruned to eliminate duplicates Z: 34 22.617 1.919 0.494 0.606 0.939 0.606 CB 1.321 34 residues pruned to eliminate duplicates Z: 15 11.577 1.849 0.573 0.433 0.929 0.214 CB 1.227 15 residues pruned to eliminate duplicates Z: 41 20.947 1.887 0.517 0.520 0.900 0.550 CB 1.261 41 residues pruned to eliminate duplicates Z: 34 18.220 1.872 0.628 0.474 0.909 0.515 CB 1.175 34 residues pruned to eliminate duplicates Z: 39 23.888 1.959 0.538 0.532 0.947 0.579 CB 1.316 39 residues pruned to eliminate duplicates Z: 31 18.872 1.901 0.461 0.549 0.900 0.600 CB 1.314 31 residues pruned to eliminate duplicates Z: 14 12.492 2.061 0.388 0.376 0.923 0.615 CB 1.497 14 residues pruned to eliminate duplicates Z: 18 16.350 2.038 0.453 0.544 0.941 0.706 CB 1.363 18 residues pruned to eliminate duplicates Z: 17 17.919 2.046 0.659 0.544 0.938 0.750 CB 1.349 17 residues pruned to eliminate duplicates Z: 25 15.129 1.828 0.584 0.512 0.917 0.583 CB 1.150 25 residues pruned to eliminate duplicates Z: 18 17.505 1.987 0.587 0.533 0.941 0.706 CB 1.385 18 residues pruned to eliminate duplicates Z: 21 16.188 1.953 0.517 0.529 0.900 0.650 CA 1.319 21 residues pruned to eliminate duplicates Z: 31 18.313 1.950 0.572 0.478 0.933 0.600 CB 1.194 31 residues pruned to eliminate duplicates Z: 19 13.908 1.915 0.615 0.496 0.833 0.500 CB 1.277 19 residues pruned to eliminate duplicates Z: 14 13.350 1.986 0.534 0.573 0.846 0.692 CA 1.338 14 residues pruned to eliminate duplicates Z: 19 12.527 1.988 0.471 0.512 0.833 0.556 CB 1.197 19 residues pruned to eliminate duplicates Z: 28 13.104 1.848 0.541 0.354 0.815 0.407 CB 1.273 28 residues pruned to eliminate duplicates Z: 28 15.993 1.907 0.464 0.474 0.852 0.481 CB 1.329 28 residues pruned to eliminate duplicates Z: 18 14.949 1.954 0.386 0.576 1.000 0.471 CA 1.244 18 residues pruned to eliminate duplicates Z: 17 14.088 2.025 0.424 0.522 0.938 0.625 CA 1.275 17 residues pruned to eliminate duplicates Z: 21 13.699 1.888 0.371 0.547 0.950 0.500 CA 1.189 21 residues pruned to eliminate duplicates Z: 58 24.037 1.914 0.452 0.501 0.877 0.526 CB 1.304 58 residues pruned to eliminate duplicates Z: 11 8.324 1.934 0.421 0.746 0.900 0.700 CA 0.854 11 residues pruned to eliminate duplicates Z: 56 24.114 1.906 0.443 0.504 0.891 0.636 CA 1.322 56 residues pruned to eliminate duplicates Z: 24 12.005 1.864 0.315 0.456 0.870 0.696 CA 1.229 24 residues pruned to eliminate duplicates Z: 13 6.124 1.681 0.260 0.431 0.750 0.333 CB 1.196 13 residues pruned to eliminate duplicates Z: 9 3.567 1.723 0.356 0.197 0.625 0.500 CB 1.238 9 residues pruned to eliminate duplicates Z: 15 9.081 1.647 0.590 0.441 0.857 0.357 CB 1.149 15 residues pruned to eliminate duplicates Z: 13 6.853 1.628 0.445 0.486 0.833 0.500 CB 1.024 13 residues pruned to eliminate duplicates Z: 7 4.108 1.665 0.090 0.272 1.000 0.333 CB 1.196 7 residues pruned to eliminate duplicates Z: 10 8.783 1.783 0.410 0.579 1.000 0.556 CB 1.080 10 residues pruned to eliminate duplicates Z: 22 13.958 1.788 0.457 0.574 0.857 0.524 CA 1.270 22 residues pruned to eliminate duplicates Z: 20 14.467 1.764 0.684 0.529 0.789 0.526 CB 1.375 22 residues pruned to eliminate duplicates Z: 6 2.368 1.132 0.538 0.283 1.000 0.400 CA 0.777 6 residues pruned to eliminate duplicates Z: 16 11.923 1.788 0.550 0.541 0.933 0.667 CB 1.144 16 residues pruned to eliminate duplicates Z: 27 12.852 1.738 0.349 0.437 0.923 0.346 CB 1.243 27 residues pruned to eliminate duplicates Z: 14 11.884 1.825 0.555 0.482 0.923 0.769 CB 1.282 14 residues pruned to eliminate duplicates Z: 17 14.771 1.861 0.283 0.847 1.000 0.812 CB 1.148 17 residues pruned to eliminate duplicates Z: 14 12.476 1.871 0.240 0.778 0.923 0.846 CB 1.265 14 residues pruned to eliminate duplicates Z: 20 11.334 1.725 0.369 0.521 0.842 0.579 N 1.281 17 residues pruned to eliminate duplicates Z: 9 10.683 1.589 0.622 0.875 1.000 0.875 N 1.065 9 residues pruned to eliminate duplicates Z: 13 15.275 1.878 0.557 0.840 0.917 0.833 CB 1.228 13 residues pruned to eliminate duplicates Z: 18 18.192 1.900 0.566 0.815 0.941 0.824 CA 1.198 18 residues pruned to eliminate duplicates Z: 18 12.812 1.750 0.289 0.775 0.941 0.824 CA 1.148 18 residues pruned to eliminate duplicates Z: 33 16.624 1.795 0.439 0.563 0.938 0.625 CB 1.142 33 residues pruned to eliminate duplicates Z: 33 17.448 1.814 0.478 0.581 0.906 0.688 CB 1.174 33 residues pruned to eliminate duplicates Z: 16 15.198 1.859 0.520 0.843 0.933 0.867 CB 1.108 16 residues pruned to eliminate duplicates Z: 40 20.434 1.775 0.563 0.542 0.923 0.590 CB 1.226 40 residues pruned to eliminate duplicates Z: 16 14.810 1.872 0.439 0.845 0.933 0.867 CB 1.132 16 residues pruned to eliminate duplicates Z: 17 14.878 1.852 0.565 0.781 0.938 0.750 CB 1.069 17 residues pruned to eliminate duplicates Z: 18 14.910 1.811 0.432 0.747 0.941 0.706 CB 1.188 18 residues pruned to eliminate duplicates Z: 16 15.967 1.901 0.544 0.830 0.933 0.800 CB 1.132 16 residues pruned to eliminate duplicates Z: 16 17.849 1.896 0.662 0.844 0.933 0.800 CB 1.165 16 residues pruned to eliminate duplicates Z: 38 24.017 1.893 0.614 0.611 0.892 0.676 CB 1.304 49 residues pruned to eliminate duplicates Z: 9 10.496 1.888 0.685 0.583 0.875 0.500 CA 1.230 9 residues pruned to eliminate duplicates Z: 43 23.178 1.846 0.612 0.581 0.929 0.524 CB 1.197 43 residues pruned to eliminate duplicates Z: 36 24.075 1.921 0.665 0.521 0.914 0.714 CB 1.363 36 residues pruned to eliminate duplicates Z: 49 24.256 1.845 0.548 0.573 0.896 0.625 CB 1.275 49 residues pruned to eliminate duplicates Z: 37 24.566 1.951 0.628 0.515 0.917 0.722 CB 1.386 37 residues pruned to eliminate duplicates Z: 23 16.880 1.939 0.483 0.527 0.909 0.636 CB 1.341 23 residues pruned to eliminate duplicates Z: 29 17.870 1.902 0.493 0.549 0.964 0.786 CB 1.176 29 residues pruned to eliminate duplicates Z: 45 23.314 1.888 0.689 0.566 0.864 0.705 CB 1.196 45 residues pruned to eliminate duplicates Z: 25 18.760 1.994 0.553 0.497 0.958 0.667 CB 1.295 25 residues pruned to eliminate duplicates Z: 22 24.653 2.009 0.683 0.588 1.000 0.762 CB 1.462 22 residues pruned to eliminate duplicates Z: 27 17.531 1.888 0.540 0.490 0.923 0.654 CB 1.293 27 residues pruned to eliminate duplicates Z: 26 20.203 1.962 0.813 0.493 0.880 0.640 CB 1.300 26 residues pruned to eliminate duplicates Z: 6 8.634 1.879 0.966 0.572 0.800 0.600 CB 1.219 Z: 38 20.703 1.930 0.541 0.486 0.838 0.568 CB 1.385 44 residues pruned to eliminate duplicates Z: 24 15.416 1.851 0.452 0.594 0.870 0.783 CA 1.257 24 residues pruned to eliminate duplicates Z: 29 19.391 1.858 0.719 0.493 0.893 0.607 CB 1.294 29 residues pruned to eliminate duplicates Z: 36 14.840 1.857 0.602 0.336 0.829 0.514 CB 1.216 36 residues pruned to eliminate duplicates Z: 14 9.274 1.798 0.748 0.279 0.923 0.462 CB 1.138 14 residues pruned to eliminate duplicates Z: 41 20.360 1.847 0.532 0.558 0.900 0.575 CB 1.195 41 residues pruned to eliminate duplicates Z: 34 14.341 1.842 0.468 0.404 0.879 0.606 CB 1.162 34 residues pruned to eliminate duplicates Z: 36 18.296 1.921 0.463 0.491 0.914 0.743 CB 1.214 36 residues pruned to eliminate duplicates Z: 38 21.232 1.902 0.672 0.477 0.865 0.568 CB 1.300 38 residues pruned to eliminate duplicates Z: 25 14.790 1.821 0.553 0.415 0.833 0.667 CA 1.401 25 residues pruned to eliminate duplicates Z: 19 10.217 1.769 0.410 0.450 0.778 0.444 CB 1.307 19 residues pruned to eliminate duplicates Z: 35 21.732 1.957 0.518 0.491 0.882 0.676 CB 1.434 35 residues pruned to eliminate duplicates Z: 15 10.548 1.893 0.459 0.468 0.786 0.643 CB 1.342 15 residues pruned to eliminate duplicates Z: 13 12.326 1.892 0.668 0.549 0.750 0.667 CB 1.434 13 residues pruned to eliminate duplicates Z: 11 13.348 2.038 0.614 0.637 0.800 0.700 CB 1.411 11 residues pruned to eliminate duplicates Z: 15 12.075 1.840 0.618 0.478 0.786 0.643 CB 1.411 15 residues pruned to eliminate duplicates Z: 25 12.290 1.808 0.547 0.409 0.833 0.500 CB 1.184 25 residues pruned to eliminate duplicates Z: 18 10.002 1.836 0.530 0.389 0.706 0.588 N 1.377 18 residues pruned to eliminate duplicates Z: 25 12.834 1.808 0.576 0.377 0.792 0.625 CB 1.324 25 residues pruned to eliminate duplicates Z: 47 21.867 1.873 0.589 0.450 0.870 0.630 CB 1.310 47 residues pruned to eliminate duplicates Z: 11 7.546 1.775 0.361 0.444 0.800 0.600 CB 1.308 11 residues pruned to eliminate duplicates Z: 17 9.117 1.752 0.253 0.380 0.875 0.500 CB 1.347 17 residues pruned to eliminate duplicates Z: 15 6.213 1.720 0.155 0.324 0.786 0.571 CA 1.291 15 residues pruned to eliminate duplicates Z: 13 8.057 1.729 0.397 0.577 0.833 0.667 CB 1.073 13 residues pruned to eliminate duplicates Z: 10 8.121 1.635 0.596 0.499 0.778 0.556 CB 1.335 10 residues pruned to eliminate duplicates Z: 32 19.759 1.939 0.409 0.575 0.903 0.742 CB 1.338 32 residues pruned to eliminate duplicates Z: 11 11.798 1.784 0.644 0.505 0.900 0.800 N 1.406 11 residues pruned to eliminate duplicates Z: 12 7.826 1.814 0.241 0.439 0.818 0.727 CB 1.365 12 residues pruned to eliminate duplicates Z: 44 22.500 1.902 0.456 0.535 0.884 0.558 CB 1.355 45 residues pruned to eliminate duplicates Z: 6 4.595 1.668 0.310 0.575 0.800 0.400 CA 1.094 Z: 34 23.815 1.967 0.482 0.577 0.939 0.667 CB 1.405 40 residues pruned to eliminate duplicates Z: 22 25.883 2.082 0.648 0.668 0.905 0.714 CB 1.557 22 residues pruned to eliminate duplicates Z: 23 24.851 2.040 0.656 0.612 0.909 0.682 CB 1.553 23 residues pruned to eliminate duplicates Z: 33 26.338 2.013 0.498 0.607 0.969 0.719 CB 1.440 33 residues pruned to eliminate duplicates Z: 34 26.154 1.976 0.646 0.579 0.909 0.667 CB 1.427 39 residues pruned to eliminate duplicates Z: 17 26.814 2.147 0.630 0.803 0.938 0.938 CB 1.567 17 residues pruned to eliminate duplicates Z: 23 24.632 2.049 0.633 0.637 0.955 0.727 CB 1.446 23 residues pruned to eliminate duplicates Z: 24 25.943 2.041 0.748 0.652 0.913 0.696 CB 1.441 24 residues pruned to eliminate duplicates Z: 26 21.246 1.962 0.577 0.616 0.920 0.640 CB 1.337 26 residues pruned to eliminate duplicates Z: 25 22.648 2.017 0.597 0.598 0.917 0.583 CB 1.426 25 residues pruned to eliminate duplicates Z: 32 28.792 2.003 0.659 0.644 0.968 0.710 CB 1.405 32 residues pruned to eliminate duplicates Z: 38 26.377 1.885 0.651 0.589 0.946 0.622 CB 1.353 38 residues pruned to eliminate duplicates Z: 24 25.732 2.014 0.772 0.621 0.870 0.609 CB 1.543 24 residues pruned to eliminate duplicates Z: 46 28.611 1.954 0.623 0.589 0.889 0.711 CB 1.390 32 residues pruned to eliminate duplicates Z: 18 24.972 2.050 0.507 0.790 0.941 0.824 CB 1.615 18 residues pruned to eliminate duplicates Z: 30 28.825 2.046 0.629 0.649 0.966 0.690 CB 1.448 30 residues pruned to eliminate duplicates Z: 21 25.066 2.095 0.653 0.668 0.900 0.700 CB 1.539 21 residues pruned to eliminate duplicates Z: 33 26.804 2.004 0.681 0.626 0.938 0.562 CB 1.332 33 residues pruned to eliminate duplicates Z: 27 21.171 1.967 0.418 0.615 0.923 0.615 CB 1.446 27 residues pruned to eliminate duplicates Z: 25 22.712 2.008 0.605 0.627 0.833 0.625 CB 1.532 25 residues pruned to eliminate duplicates Z: 29 23.198 1.972 0.607 0.589 0.893 0.536 CB 1.423 29 residues pruned to eliminate duplicates Z: 33 24.698 1.999 0.595 0.611 0.875 0.781 CB 1.408 33 residues pruned to eliminate duplicates Z: 12 8.695 1.824 0.480 0.410 0.909 0.545 CB 1.173 12 residues pruned to eliminate duplicates Z: 12 10.151 1.803 0.387 0.516 1.000 0.727 CB 1.205 12 residues pruned to eliminate duplicates Z: 13 10.379 1.819 0.474 0.466 1.000 0.667 CB 1.157 13 residues pruned to eliminate duplicates Z: 34 23.163 1.989 0.530 0.584 0.939 0.545 CB 1.301 34 residues pruned to eliminate duplicates Z: 10 11.317 1.933 0.374 0.519 1.000 0.778 CB 1.393 10 residues pruned to eliminate duplicates Z: 26 12.238 1.789 0.366 0.498 0.920 0.680 CB 1.091 26 residues pruned to eliminate duplicates Z: 37 14.139 1.748 0.458 0.442 0.833 0.556 CB 1.178 26 residues pruned to eliminate duplicates Z: 7 3.440 1.657 -0.098 0.384 1.000 0.333 CB 1.063 7 residues pruned to eliminate duplicates Z: 14 9.293 1.727 0.472 0.488 1.000 0.615 CB 1.026 14 residues pruned to eliminate duplicates Z: 25 13.843 1.823 0.419 0.469 0.875 0.708 CB 1.289 25 residues pruned to eliminate duplicates Z: 12 12.286 1.851 0.522 0.640 1.000 0.818 CB 1.154 12 residues pruned to eliminate duplicates Z: 10 10.579 1.840 0.648 0.797 0.889 0.778 CB 1.009 10 residues pruned to eliminate duplicates Z: 9 11.307 1.885 0.614 0.748 1.000 1.000 CB 1.053 9 residues pruned to eliminate duplicates Z: 16 10.687 1.769 0.416 0.522 1.000 0.467 CB 1.078 16 residues pruned to eliminate duplicates Z: 17 11.370 1.694 0.354 0.644 0.938 0.750 CB 1.156 17 residues pruned to eliminate duplicates Z: 11 11.962 1.726 0.554 0.812 1.000 0.700 CB 1.075 11 residues pruned to eliminate duplicates Z: 17 12.313 1.830 0.574 0.609 0.938 0.625 CB 1.028 16 residues pruned to eliminate duplicates Z: 10 13.555 1.931 0.830 0.853 0.889 0.667 CB 1.063 10 residues pruned to eliminate duplicates Z: 13 13.267 1.854 0.589 0.709 1.000 0.500 CB 1.075 13 residues pruned to eliminate duplicates Z: 16 13.574 1.802 0.531 0.655 1.000 0.600 CB 1.100 17 residues pruned to eliminate duplicates 833 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 8 D: 11 E: 21 F: 45 G: 22 H: 7 I: 12 J: 16 K: 6 L: 25 M: 6 N: 36 O: 9 P: 103 Q: 29 R: 13 S: 32 T: 23 U: 64 V: 15 W: 75 X: 7 Y: 12 Z: 8 Z: 29 Z: 168 Z: 16 CC for partial structure against native data = 31.30 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.446, Connect. = 0.701 for dens.mod. cycle 1 = 0.300, Contrast = 0.507, Connect. = 0.724 for dens.mod. cycle 2 = 0.300, Contrast = 0.597, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.602, Connect. = 0.759 for dens.mod. cycle 4 = 0.300, Contrast = 0.611, Connect. = 0.761 for dens.mod. cycle 5 = 0.300, Contrast = 0.615, Connect. = 0.763 for dens.mod. cycle 6 = 0.300, Contrast = 0.619, Connect. = 0.764 for dens.mod. cycle 7 = 0.300, Contrast = 0.621, Connect. = 0.766 for dens.mod. cycle 8 = 0.300, Contrast = 0.623, Connect. = 0.767 for dens.mod. cycle 9 TimeTaking 177.3