++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:00:18 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: ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.phi -a -n -t20 Cell and symmetry only from ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.ins Phases from ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.phi Native data from ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.hkl Listing output to ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.lst Phases output to ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.phs Poly-Ala trace output to ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.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 21 21 21 Allowed origin shift code: 4 45394 Reflections read from file ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.phi 45394 Reflections read from file ./2f4l-2.5-parrot-mrncs/2f4l-2.5-parrot-mrncs.hkl 45394 Unique data, highest resolution = 2.500 Angstroms Anisotropic scaling: intensities multiplied by 0.000047h^2 -0.000143k^2 +0.000077l^2 +0.000000kl +0.000000hl +0.000000hk 54 Reflections with d > 2.700 and 0 in range 2.700 > d > 2.500 added Density sharpening factor set to 0.00 Fourier grid = 128 x 128 x 47 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.684 = 0.300, Contrast = 0.396, Connect. = 0.655 for dens.mod. cycle 1 = 0.300, Contrast = 0.470, Connect. = 0.670 for dens.mod. cycle 2 = 0.300, Contrast = 0.597, Connect. = 0.707 for dens.mod. cycle 3 = 0.300, Contrast = 0.635, Connect. = 0.720 for dens.mod. cycle 4 = 0.300, Contrast = 0.652, Connect. = 0.727 for dens.mod. cycle 5 = 0.300, Contrast = 0.661, Connect. = 0.732 for dens.mod. cycle 6 = 0.300, Contrast = 0.666, Connect. = 0.735 for dens.mod. cycle 7 = 0.300, Contrast = 0.669, Connect. = 0.737 for dens.mod. cycle 8 = 0.300, Contrast = 0.670, Connect. = 0.739 for dens.mod. cycle 9 = 0.300, Contrast = 0.671, Connect. = 0.740 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2771 peaks > 0.5 sigma used to seed fragment search Space for about 1420 unique residues taking solvent into account 916 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 28.101 1.786 0.665 0.917 1.000 0.909 CB 1.422 B: 23 23.911 1.861 0.664 0.729 1.000 1.000 CB 1.339 C: 23 25.545 1.778 0.852 0.925 1.000 0.909 CB 1.161 D: 19 30.918 1.944 0.840 0.901 0.944 0.611 CB 1.540 21 residues pruned to eliminate duplicates E: 10 8.397 1.771 0.746 0.659 0.778 0.667 CB 1.005 F: 23 24.605 1.778 0.673 0.917 1.000 0.864 CB 1.245 23 residues pruned to eliminate duplicates G: 22 23.237 1.782 0.759 0.920 1.000 0.762 CB 1.140 22 residues pruned to eliminate duplicates H: 39 19.077 1.783 0.612 0.510 0.895 0.526 CB 1.192 I: 14 5.443 1.697 0.147 0.367 0.923 0.462 CB 0.969 J: 6 5.574 1.761 0.514 0.612 0.800 0.600 CB 1.051 K: 18 25.770 1.812 0.664 0.870 1.000 0.765 CB 1.512 18 residues pruned to eliminate duplicates L: 22 27.030 1.814 0.758 0.911 0.952 0.952 CB 1.376 22 residues pruned to eliminate duplicates M: 21 30.995 1.871 0.871 0.953 1.000 1.000 CB 1.363 N: 22 24.502 1.796 0.720 0.904 1.000 0.857 CB 1.233 15 residues pruned to eliminate duplicates O: 23 32.578 1.781 0.765 0.892 1.000 0.864 CB 1.586 23 residues pruned to eliminate duplicates P: 20 28.598 1.884 0.678 0.936 1.000 1.000 CB 1.445 20 residues pruned to eliminate duplicates Q: 7 5.855 1.578 0.541 0.443 1.000 0.500 CB 1.042 R: 14 13.493 1.799 0.812 0.569 0.846 0.615 CB 1.269 6 residues pruned to eliminate duplicates S: 15 11.706 1.786 0.654 0.538 0.929 0.571 CB 1.099 T: 33 17.987 1.744 0.508 0.474 0.906 0.625 CB 1.370 5 residues pruned to eliminate duplicates U: 20 30.664 1.904 0.767 0.896 1.000 0.684 CB 1.498 20 residues pruned to eliminate duplicates V: 11 9.407 1.772 0.650 0.482 0.900 0.500 CB 1.152 W: 10 7.931 1.600 0.420 0.868 1.000 0.778 CB 0.850 X: 6 10.834 1.680 0.833 0.865 1.000 1.000 CB 1.152 6 residues pruned to eliminate duplicates Y: 15 7.108 1.640 0.226 0.339 0.929 0.357 CB 1.212 Z: 14 15.444 1.869 0.826 0.549 0.923 0.615 CB 1.296 Z: 15 14.973 1.794 0.672 0.524 0.929 0.786 CB 1.403 Z: 8 5.713 1.633 0.833 0.458 0.714 0.571 N 1.054 Z: 12 6.377 1.565 0.124 0.413 0.909 0.273 CB 1.317 Z: 23 26.613 1.754 0.818 0.914 1.000 0.818 CB 1.259 22 residues pruned to eliminate duplicates Z: 13 4.412 1.595 0.198 0.331 0.750 0.500 CB 1.069 Z: 14 9.782 1.707 0.347 0.531 1.000 0.538 CB 1.145 3 residues pruned to eliminate duplicates Z: 18 17.152 1.823 0.735 0.543 1.000 0.471 CB 1.262 22 residues pruned to eliminate duplicates Z: 23 24.431 1.761 0.694 0.901 0.955 0.864 CB 1.306 23 residues pruned to eliminate duplicates Z: 7 8.569 1.841 0.797 0.511 0.833 0.667 CB 1.255 Z: 20 26.304 1.844 0.936 0.856 0.895 0.579 CB 1.394 19 residues pruned to eliminate duplicates Z: 14 12.597 1.723 0.857 0.528 0.846 0.538 CB 1.255 14 residues pruned to eliminate duplicates Z: 22 29.212 1.809 0.951 0.950 1.000 0.952 CB 1.246 23 residues pruned to eliminate duplicates Z: 12 8.650 1.688 0.264 0.851 0.909 0.818 CB 0.996 10 residues pruned to eliminate duplicates Z: 6 13.832 1.946 0.692 0.815 1.000 1.000 CB 1.429 Z: 29 9.773 1.693 0.333 0.359 0.786 0.500 CB 1.213 Z: 6 10.428 1.722 0.479 0.848 1.000 0.800 CB 1.358 6 residues pruned to eliminate duplicates Z: 16 6.747 1.668 0.474 0.279 0.733 0.467 CB 1.241 Z: 22 24.267 1.784 0.774 0.913 1.000 0.762 CB 1.184 22 residues pruned to eliminate duplicates Z: 11 7.685 1.687 0.283 0.492 1.000 0.500 CB 1.131 Z: 16 7.122 1.748 0.399 0.402 0.867 0.467 CB 0.962 9 residues pruned to eliminate duplicates Z: 6 4.415 1.810 0.222 0.297 0.800 0.600 O 1.401 Z: 9 5.245 1.739 0.061 0.472 0.875 0.375 N 1.183 Z: 23 30.047 1.813 0.833 0.873 0.955 0.591 CB 1.471 23 residues pruned to eliminate duplicates Z: 65 35.623 1.808 0.804 0.561 0.938 0.672 CB 1.373 23 residues pruned to eliminate duplicates Z: 16 8.872 1.779 0.420 0.469 1.000 0.400 CB 0.936 Z: 17 14.275 1.600 0.261 0.814 1.000 0.750 N 1.346 Z: 17 13.813 1.786 0.557 0.541 0.875 0.750 CB 1.363 17 residues pruned to eliminate duplicates Z: 28 16.569 1.798 0.553 0.467 0.963 0.704 CB 1.226 24 residues pruned to eliminate duplicates Z: 21 30.498 1.889 0.667 0.913 1.000 0.950 CB 1.533 21 residues pruned to eliminate duplicates Z: 8 4.098 1.658 0.045 0.478 0.857 0.286 CB 1.066 8 residues pruned to eliminate duplicates Z: 11 15.943 1.878 0.597 0.886 1.000 0.700 CB 1.213 17 residues pruned to eliminate duplicates Z: 7 3.124 1.098 0.542 0.849 0.833 0.667 O 0.671 Z: 10 12.570 1.825 0.325 0.897 1.000 0.889 CB 1.241 10 residues pruned to eliminate duplicates Z: 22 34.099 1.835 0.828 0.930 1.000 0.905 CB 1.551 21 residues pruned to eliminate duplicates Z: 21 13.147 1.768 0.731 0.355 0.900 0.450 CB 1.249 Z: 28 14.730 1.757 0.604 0.455 0.926 0.556 CB 1.137 28 residues pruned to eliminate duplicates Z: 11 6.949 1.591 0.311 0.635 0.900 0.700 CB 1.031 Z: 8 6.705 1.545 0.855 0.424 0.857 0.429 CA 1.117 Z: 6 9.312 1.734 1.511 0.617 0.800 0.600 CB 1.071 6 residues pruned to eliminate duplicates Z: 12 9.760 1.697 0.620 0.437 0.818 0.455 CB 1.395 12 residues pruned to eliminate duplicates Z: 6 5.022 1.877 0.402 0.459 0.800 0.600 CB 1.113 5 residues pruned to eliminate duplicates Z: 7 2.412 1.423 0.787 0.307 0.667 0.500 CB 0.720 7 residues pruned to eliminate duplicates Z: 11 7.884 1.638 0.834 0.390 0.800 0.300 CB 1.165 Z: 20 13.738 1.784 0.619 0.494 1.000 0.789 CB 1.097 20 residues pruned to eliminate duplicates Z: 27 16.826 1.756 0.739 0.434 0.923 0.538 CB 1.254 27 residues pruned to eliminate duplicates Z: 10 5.357 1.715 0.201 0.472 0.889 0.556 CB 1.003 10 residues pruned to eliminate duplicates Z: 20 13.086 1.722 0.430 0.453 0.947 0.579 CB 1.351 19 residues pruned to eliminate duplicates Z: 28 14.374 1.736 0.546 0.369 0.889 0.519 CB 1.334 8 residues pruned to eliminate duplicates Z: 22 28.824 1.780 0.902 0.938 1.000 0.905 CB 1.292 22 residues pruned to eliminate duplicates Z: 22 23.500 1.773 0.545 0.932 1.000 0.905 CB 1.307 22 residues pruned to eliminate duplicates Z: 22 24.873 1.783 0.619 0.899 1.000 0.905 CB 1.344 22 residues pruned to eliminate duplicates Z: 22 17.004 1.853 0.524 0.456 0.952 0.667 CB 1.444 22 residues pruned to eliminate duplicates Z: 34 19.988 1.814 0.572 0.502 0.909 0.758 CB 1.339 31 residues pruned to eliminate duplicates Z: 22 29.797 1.816 0.810 0.910 1.000 0.714 CB 1.404 22 residues pruned to eliminate duplicates Z: 33 11.914 1.688 0.542 0.318 0.844 0.531 CB 1.172 33 residues pruned to eliminate duplicates Z: 7 3.502 1.449 -0.051 0.422 1.000 0.500 N 1.128 Z: 14 11.736 1.797 0.866 0.503 0.846 0.462 CB 1.144 Z: 11 16.238 1.836 0.475 0.903 1.000 0.900 CB 1.351 11 residues pruned to eliminate duplicates Z: 12 6.924 1.715 0.348 0.438 0.909 0.545 CB 1.059 Z: 64 31.091 1.814 0.524 0.610 0.937 0.683 CB 1.363 64 residues pruned to eliminate duplicates Z: 11 10.592 1.822 0.239 0.822 0.900 0.600 CB 1.247 11 residues pruned to eliminate duplicates Z: 16 10.984 1.710 0.690 0.399 0.867 0.533 CB 1.260 Z: 14 5.972 1.675 0.268 0.433 0.769 0.385 CB 1.087 Z: 22 10.641 1.669 0.440 0.475 0.857 0.619 CB 1.156 Z: 17 5.504 1.518 0.302 0.276 0.812 0.438 CB 1.105 Z: 11 15.544 1.889 0.542 0.918 1.000 1.000 CB 1.190 11 residues pruned to eliminate duplicates Z: 22 21.634 1.788 0.648 0.906 0.952 0.857 CB 1.196 22 residues pruned to eliminate duplicates Z: 21 11.445 1.680 0.498 0.451 0.850 0.600 CB 1.258 15 residues pruned to eliminate duplicates Z: 21 15.058 1.774 0.556 0.436 0.950 0.600 CB 1.373 21 residues pruned to eliminate duplicates Z: 15 8.153 1.765 0.342 0.334 0.929 0.571 CB 1.189 14 residues pruned to eliminate duplicates Z: 8 10.786 1.831 0.472 0.492 1.000 0.714 CB 1.524 8 residues pruned to eliminate duplicates Z: 70 37.893 1.842 0.724 0.608 0.928 0.667 CB 1.398 85 residues pruned to eliminate duplicates Z: 12 7.642 1.574 0.424 0.540 0.909 0.636 CB 1.087 11 residues pruned to eliminate duplicates Z: 11 4.780 1.616 0.269 0.254 1.000 0.600 CB 0.978 11 residues pruned to eliminate duplicates Z: 22 23.100 1.784 0.431 0.933 1.000 0.952 CB 1.378 22 residues pruned to eliminate duplicates Z: 23 29.922 1.759 0.716 0.929 1.000 0.955 CB 1.479 23 residues pruned to eliminate duplicates Z: 12 13.823 1.610 0.555 0.859 1.000 0.727 CB 1.225 12 residues pruned to eliminate duplicates Z: 11 11.776 1.795 0.398 0.877 1.000 0.800 CB 1.078 11 residues pruned to eliminate duplicates Z: 9 11.571 1.706 0.706 0.722 1.000 0.875 CB 1.150 Z: 49 28.734 1.772 0.773 0.563 0.917 0.688 CB 1.354 22 residues pruned to eliminate duplicates Z: 9 6.593 1.562 0.378 0.541 1.000 0.750 CB 1.040 Z: 22 33.002 1.826 1.015 0.934 1.000 0.762 CB 1.366 32 residues pruned to eliminate duplicates Z: 20 12.793 1.774 0.656 0.472 0.895 0.368 CB 1.149 20 residues pruned to eliminate duplicates Z: 10 15.179 1.829 0.510 0.885 1.000 0.889 CB 1.323 10 residues pruned to eliminate duplicates Z: 14 10.210 1.692 0.472 0.673 0.923 0.692 CB 1.049 14 residues pruned to eliminate duplicates Z: 64 31.196 1.820 0.541 0.642 0.937 0.746 CB 1.310 64 residues pruned to eliminate duplicates Z: 35 16.441 1.784 0.527 0.419 0.912 0.500 CB 1.235 35 residues pruned to eliminate duplicates Z: 10 5.694 1.648 0.456 0.443 0.889 0.222 CB 0.944 10 residues pruned to eliminate duplicates Z: 18 12.010 1.744 0.553 0.535 0.941 0.588 CB 1.104 18 residues pruned to eliminate duplicates Z: 19 10.435 1.706 0.411 0.479 0.833 0.500 CB 1.252 Z: 21 12.494 1.741 0.779 0.340 0.900 0.500 CB 1.193 21 residues pruned to eliminate duplicates Z: 22 30.169 1.829 0.925 0.939 1.000 1.000 CB 1.300 22 residues pruned to eliminate duplicates Z: 22 27.243 1.797 0.710 0.935 1.000 1.000 CB 1.348 22 residues pruned to eliminate duplicates Z: 22 9.785 1.772 0.597 0.377 0.857 0.571 CB 1.004 11 residues pruned to eliminate duplicates Z: 10 13.425 1.751 0.705 0.739 0.889 0.778 N 1.362 13 residues pruned to eliminate duplicates Z: 7 6.386 1.624 0.362 0.550 0.833 0.500 N 1.346 6 residues pruned to eliminate duplicates Z: 9 5.228 1.670 0.627 0.226 0.750 0.500 CB 1.249 6 residues pruned to eliminate duplicates Z: 6 9.494 1.652 1.165 0.659 0.800 0.400 N 1.280 Z: 7 5.776 1.774 0.270 0.676 0.833 0.833 CB 1.068 7 residues pruned to eliminate duplicates Z: 7 5.609 1.526 0.699 0.457 0.833 0.500 CB 1.107 Z: 22 9.456 1.669 0.300 0.392 0.857 0.429 CB 1.244 17 residues pruned to eliminate duplicates Z: 15 6.809 1.666 0.223 0.334 1.000 0.571 CB 1.071 Z: 8 6.261 1.694 0.588 0.447 0.857 0.714 CB 1.084 8 residues pruned to eliminate duplicates Z: 20 13.927 1.699 0.799 0.500 0.895 0.632 CB 1.169 14 residues pruned to eliminate duplicates Z: 23 27.406 1.755 0.837 0.923 1.000 0.773 CB 1.274 23 residues pruned to eliminate duplicates Z: 13 15.501 1.719 0.510 0.850 1.000 0.750 N 1.277 14 residues pruned to eliminate duplicates Z: 19 9.070 1.717 0.377 0.410 0.889 0.444 CB 1.119 19 residues pruned to eliminate duplicates Z: 21 13.909 1.792 0.410 0.461 0.950 0.500 CB 1.348 22 residues pruned to eliminate duplicates Z: 12 5.785 1.613 0.418 0.383 0.818 0.636 CB 1.056 12 residues pruned to eliminate duplicates Z: 7 9.499 1.788 0.580 0.682 0.833 0.833 CB 1.394 Z: 19 10.968 1.749 0.261 0.538 0.889 0.556 CB 1.271 19 residues pruned to eliminate duplicates Z: 7 13.315 1.872 0.895 0.686 1.000 0.833 CB 1.292 7 residues pruned to eliminate duplicates Z: 6 4.867 1.678 0.512 0.292 0.800 0.600 CA 1.353 Z: 15 9.562 1.598 0.205 0.728 0.929 0.857 CB 1.164 15 residues pruned to eliminate duplicates Z: 16 7.658 1.658 0.491 0.321 0.800 0.333 CB 1.218 16 residues pruned to eliminate duplicates Z: 62 32.402 1.811 0.674 0.566 0.951 0.705 CB 1.351 56 residues pruned to eliminate duplicates Z: 7 7.362 1.636 0.886 0.566 0.833 0.667 CB 1.097 8 residues pruned to eliminate duplicates Z: 6 5.511 1.568 0.597 0.672 0.800 0.800 CB 1.050 6 residues pruned to eliminate duplicates Z: 21 26.230 1.775 0.652 0.913 1.000 0.800 CB 1.416 21 residues pruned to eliminate duplicates Z: 11 13.956 1.848 0.781 0.450 0.900 0.700 CB 1.568 11 residues pruned to eliminate duplicates Z: 22 28.222 1.808 1.041 0.929 0.952 0.714 CB 1.226 21 residues pruned to eliminate duplicates Z: 13 10.961 1.722 0.686 0.483 0.917 0.667 CB 1.209 13 residues pruned to eliminate duplicates Z: 20 9.738 1.695 0.213 0.441 0.947 0.579 CB 1.220 Z: 12 7.972 1.715 0.184 0.409 0.909 0.545 N 1.433 12 residues pruned to eliminate duplicates Z: 27 12.699 1.749 0.751 0.351 0.808 0.538 CB 1.183 16 residues pruned to eliminate duplicates Z: 10 7.149 1.666 0.261 0.381 0.889 0.444 CB 1.448 Z: 22 22.869 1.806 0.531 0.886 0.952 0.810 CB 1.367 22 residues pruned to eliminate duplicates Z: 23 27.186 1.781 0.659 0.896 0.909 0.818 CB 1.546 23 residues pruned to eliminate duplicates Z: 13 7.947 1.605 0.443 0.365 0.833 0.583 CB 1.375 12 residues pruned to eliminate duplicates Z: 13 9.564 1.765 0.317 0.476 1.000 0.750 CB 1.216 13 residues pruned to eliminate duplicates Z: 6 3.626 1.304 1.172 0.280 0.800 0.400 N 0.918 Z: 18 9.964 1.660 0.350 0.581 0.941 0.471 CB 1.060 14 residues pruned to eliminate duplicates Z: 13 15.302 1.642 0.513 0.855 1.000 0.750 CB 1.312 11 residues pruned to eliminate duplicates Z: 22 32.198 1.814 0.808 0.924 1.000 0.857 CB 1.504 22 residues pruned to eliminate duplicates Z: 14 6.993 1.684 0.254 0.365 0.923 0.538 CB 1.150 14 residues pruned to eliminate duplicates 7 1.123 1.308 0.661 0.243 0.500 0.500 CB 0.568 ? Z: 15 7.157 1.751 0.178 0.421 0.857 0.643 CB 1.174 15 residues pruned to eliminate duplicates Z: 22 31.077 1.833 0.964 0.920 0.952 0.714 CB 1.393 22 residues pruned to eliminate duplicates Z: 9 4.188 1.542 0.307 0.445 0.750 0.750 CB 1.037 Z: 25 18.259 1.811 0.618 0.560 0.917 0.708 CB 1.309 25 residues pruned to eliminate duplicates Z: 13 10.639 1.661 0.409 0.748 1.000 0.833 CB 1.052 13 residues pruned to eliminate duplicates Z: 39 29.105 1.816 0.582 0.746 0.974 0.711 CB 1.355 37 residues pruned to eliminate duplicates Z: 6 10.890 1.591 0.706 0.825 1.000 1.000 O 1.354 Z: 7 7.247 1.747 0.271 0.502 1.000 0.667 CB 1.329 Z: 14 12.249 1.741 0.652 0.525 0.923 0.769 CB 1.249 14 residues pruned to eliminate duplicates Z: 18 15.482 1.770 0.864 0.514 0.941 0.647 CB 1.193 18 residues pruned to eliminate duplicates Z: 12 5.509 1.572 0.433 0.316 0.727 0.455 CB 1.243 8 residues pruned to eliminate duplicates Z: 8 12.248 1.854 0.364 0.876 1.000 0.857 CB 1.330 8 residues pruned to eliminate duplicates Z: 11 9.363 1.566 0.355 0.544 1.000 0.500 N 1.336 11 residues pruned to eliminate duplicates Z: 31 29.374 1.826 0.715 0.732 0.933 0.833 CB 1.490 31 residues pruned to eliminate duplicates Z: 15 7.647 1.662 0.109 0.406 0.929 0.500 CB 1.318 Z: 26 8.939 1.678 0.403 0.299 0.840 0.520 CB 1.131 16 residues pruned to eliminate duplicates Z: 8 6.785 1.776 0.465 0.639 1.000 0.571 CB 0.865 Z: 10 16.765 1.802 0.867 0.737 1.000 0.889 CB 1.343 10 residues pruned to eliminate duplicates Z: 17 6.736 1.723 0.301 0.403 0.875 0.250 CB 0.951 17 residues pruned to eliminate duplicates Z: 7 7.421 1.709 0.339 0.423 1.000 0.667 O 1.434 Z: 38 18.563 1.777 0.601 0.519 0.865 0.622 CB 1.217 25 residues pruned to eliminate duplicates Z: 9 16.255 1.803 0.801 0.667 1.000 0.625 CA 1.516 9 residues pruned to eliminate duplicates Z: 55 34.903 1.858 0.658 0.617 0.963 0.759 CB 1.433 55 residues pruned to eliminate duplicates Z: 24 12.064 1.687 0.422 0.465 0.870 0.652 CB 1.250 22 residues pruned to eliminate duplicates Z: 23 32.453 1.814 1.024 0.916 1.000 0.818 CB 1.332 23 residues pruned to eliminate duplicates Z: 20 31.126 1.892 1.005 0.925 0.947 0.842 CB 1.394 20 residues pruned to eliminate duplicates Z: 10 9.261 1.716 0.425 0.601 0.778 0.778 CB 1.474 10 residues pruned to eliminate duplicates Z: 17 8.338 1.688 0.440 0.401 0.812 0.500 CB 1.170 17 residues pruned to eliminate duplicates Z: 23 34.097 1.812 0.855 0.926 1.000 0.864 CB 1.517 23 residues pruned to eliminate duplicates Z: 23 30.619 1.812 0.615 0.934 1.000 0.909 CA 1.556 23 residues pruned to eliminate duplicates Z: 7 6.192 1.781 0.088 0.552 1.000 0.833 CB 1.240 Z: 7 6.384 1.722 0.785 0.636 1.000 1.000 CB 0.747 7 residues pruned to eliminate duplicates Z: 28 14.262 1.748 0.477 0.412 0.889 0.556 CB 1.311 28 residues pruned to eliminate duplicates Z: 7 6.970 1.824 0.342 0.546 0.833 0.667 CB 1.333 7 residues pruned to eliminate duplicates Z: 17 11.106 1.772 0.550 0.383 0.938 0.625 CB 1.222 17 residues pruned to eliminate duplicates Z: 23 30.211 1.787 0.772 0.920 1.000 0.773 CB 1.432 23 residues pruned to eliminate duplicates Z: 18 8.243 1.667 0.518 0.304 0.824 0.588 CB 1.193 18 residues pruned to eliminate duplicates Z: 11 5.283 1.510 0.894 0.367 0.700 0.500 CB 0.963 Z: 11 8.463 1.859 0.445 0.395 0.800 0.600 CB 1.392 11 residues pruned to eliminate duplicates Z: 37 17.096 1.764 0.651 0.405 0.806 0.556 CB 1.343 37 residues pruned to eliminate duplicates Z: 23 27.330 1.773 0.780 0.918 1.000 0.682 CB 1.302 23 residues pruned to eliminate duplicates Z: 10 5.530 1.576 0.152 0.499 0.889 0.667 CB 1.143 7 residues pruned to eliminate duplicates Z: 11 5.994 1.760 0.015 0.495 0.800 0.500 CB 1.333 11 residues pruned to eliminate duplicates Z: 11 6.572 1.637 0.460 0.458 0.800 0.600 CB 1.135 11 residues pruned to eliminate duplicates Z: 14 8.896 1.703 0.449 0.418 0.769 0.385 CB 1.416 14 residues pruned to eliminate duplicates Z: 25 13.441 1.736 0.862 0.368 0.833 0.583 CB 1.174 27 residues pruned to eliminate duplicates Z: 20 14.024 1.687 0.606 0.363 1.000 0.526 N 1.375 10 residues pruned to eliminate duplicates Z: 13 13.761 1.783 0.600 0.520 0.917 0.667 CB 1.489 Z: 9 7.538 1.667 0.533 0.491 0.875 0.875 CB 1.202 Z: 23 27.842 1.760 0.759 0.904 1.000 0.864 CB 1.365 23 residues pruned to eliminate duplicates Z: 20 22.271 1.775 0.776 0.923 1.000 0.895 CB 1.138 20 residues pruned to eliminate duplicates Z: 10 11.200 1.761 0.604 0.674 0.889 0.667 CB 1.266 Z: 18 9.442 1.662 0.683 0.387 0.882 0.529 CB 1.046 18 residues pruned to eliminate duplicates Z: 12 14.218 1.740 0.480 0.902 0.909 0.818 CA 1.306 12 residues pruned to eliminate duplicates Z: 21 25.973 1.824 0.547 0.887 1.000 0.850 CB 1.485 21 residues pruned to eliminate duplicates Z: 18 10.719 1.783 0.345 0.511 0.882 0.647 CB 1.215 18 residues pruned to eliminate duplicates Z: 18 10.483 1.775 0.618 0.382 0.824 0.529 CB 1.219 22 residues pruned to eliminate duplicates Z: 55 29.517 1.814 0.716 0.607 0.889 0.630 CB 1.311 55 residues pruned to eliminate duplicates Z: 8 5.138 1.704 0.502 0.455 0.714 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 13 10.475 1.724 0.751 0.509 0.917 0.583 CB 1.084 11 residues pruned to eliminate duplicates Z: 24 11.286 1.740 0.366 0.397 0.913 0.478 CB 1.209 24 residues pruned to eliminate duplicates Z: 12 11.446 1.715 0.763 0.566 0.818 0.455 N 1.308 6 residues pruned to eliminate duplicates Z: 8 2.708 1.362 -0.044 0.537 0.714 0.429 CB 1.061 Z: 13 13.608 1.743 0.753 0.662 0.917 0.750 CB 1.207 13 residues pruned to eliminate duplicates Z: 9 10.921 1.813 0.335 0.897 0.875 0.875 CB 1.305 11 residues pruned to eliminate duplicates Z: 7 3.700 1.604 0.386 0.437 0.833 0.500 CB 0.870 Z: 15 8.623 1.724 0.525 0.514 0.786 0.571 CB 1.100 15 residues pruned to eliminate duplicates Z: 19 15.328 1.766 0.709 0.517 0.833 0.778 CB 1.413 16 residues pruned to eliminate duplicates Z: 13 5.227 1.721 0.059 0.327 0.833 0.667 CB 1.201 13 residues pruned to eliminate duplicates Z: 14 6.703 1.484 0.429 0.458 0.846 0.385 CB 1.082 14 residues pruned to eliminate duplicates Z: 13 14.111 1.723 0.423 0.847 1.000 0.750 CB 1.234 13 residues pruned to eliminate duplicates 6 1.313 1.367 0.208 0.448 0.600 0.400 CB 0.625 ? Z: 13 15.569 1.835 0.977 0.510 0.917 0.667 CB 1.338 13 residues pruned to eliminate duplicates Z: 9 12.037 1.720 0.337 0.722 1.000 1.000 O 1.514 9 residues pruned to eliminate duplicates Z: 9 4.926 1.515 0.488 0.310 0.750 0.250 CB 1.272 Z: 6 2.048 1.502 0.720 0.584 0.600 0.600 CB 0.545 Z: 8 9.174 1.776 0.638 0.523 1.000 1.000 CB 1.165 8 residues pruned to eliminate duplicates Z: 13 6.482 1.734 0.074 0.373 0.833 0.333 CB 1.381 13 residues pruned to eliminate duplicates Z: 11 11.343 1.609 1.105 0.530 0.900 0.800 N 1.143 Z: 8 5.979 1.490 0.737 0.573 0.714 0.714 O 1.140 Z: 9 6.805 1.703 0.673 0.634 0.750 0.750 CB 0.993 9 residues pruned to eliminate duplicates Z: 8 5.962 1.556 0.467 0.488 0.857 0.714 N 1.165 7 residues pruned to eliminate duplicates Z: 23 15.853 1.764 0.550 0.468 0.955 0.409 CB 1.338 20 residues pruned to eliminate duplicates Z: 19 23.714 1.750 0.835 0.880 1.000 0.833 CB 1.262 19 residues pruned to eliminate duplicates Z: 13 5.772 1.476 0.545 0.383 0.833 0.750 CB 0.993 Z: 11 8.027 1.694 0.576 0.507 0.900 0.600 CB 1.049 Z: 21 30.126 1.834 0.726 0.936 1.000 0.950 CB 1.482 21 residues pruned to eliminate duplicates Z: 7 2.672 1.617 -0.133 0.339 0.833 0.500 CB 1.113 7 residues pruned to eliminate duplicates Z: 9 12.711 1.788 0.384 0.712 1.000 0.750 CB 1.498 9 residues pruned to eliminate duplicates Z: 12 7.863 1.665 0.544 0.304 0.909 0.455 CB 1.262 12 residues pruned to eliminate duplicates Z: 22 16.531 1.831 0.725 0.440 0.905 0.524 CB 1.343 22 residues pruned to eliminate duplicates Z: 21 34.557 1.900 0.952 0.950 1.000 0.800 CB 1.437 21 residues pruned to eliminate duplicates Z: 10 7.067 1.598 0.492 0.484 0.778 0.556 CB 1.292 10 residues pruned to eliminate duplicates Z: 38 20.504 1.825 0.619 0.413 0.946 0.622 CB 1.321 38 residues pruned to eliminate duplicates Z: 13 8.380 1.777 0.224 0.477 1.000 0.667 CB 1.138 20 residues pruned to eliminate duplicates Z: 10 6.992 1.562 0.479 0.395 0.889 0.333 N 1.268 Z: 21 10.198 1.757 0.725 0.365 0.850 0.550 CB 1.023 Z: 15 9.207 1.666 0.591 0.426 0.929 0.643 CB 1.080 15 residues pruned to eliminate duplicates Z: 10 9.742 1.651 0.661 0.466 0.889 0.556 O 1.378 Z: 15 11.226 1.753 0.617 0.681 0.857 0.643 CB 1.046 15 residues pruned to eliminate duplicates Z: 7 5.644 1.626 0.482 0.340 0.833 0.500 CB 1.366 Z: 6 2.824 1.600 0.091 0.358 0.800 0.400 CB 1.054 Z: 11 5.524 1.713 0.526 0.339 0.800 0.600 CB 0.996 Z: 12 9.665 1.723 0.803 0.380 0.727 0.545 CB 1.466 14 residues pruned to eliminate duplicates Z: 12 5.541 1.580 0.399 0.394 0.818 0.455 CB 1.034 Z: 12 11.648 1.770 0.869 0.527 0.909 0.727 CB 1.137 9 residues pruned to eliminate duplicates Z: 9 6.529 1.489 0.402 0.545 0.875 0.750 CB 1.210 Z: 11 15.831 1.792 0.867 0.890 0.900 0.700 CB 1.196 11 residues pruned to eliminate duplicates Z: 16 10.823 1.859 0.708 0.372 0.800 0.400 CB 1.261 4 residues pruned to eliminate duplicates Z: 14 9.553 1.722 0.585 0.381 0.846 0.385 CB 1.303 22 residues pruned to eliminate duplicates Z: 9 9.096 1.748 0.461 0.589 1.000 0.750 CB 1.157 19 residues pruned to eliminate duplicates Z: 11 5.015 1.591 0.039 0.415 0.900 0.400 CB 1.165 11 residues pruned to eliminate duplicates Z: 8 4.544 1.584 0.559 0.630 0.857 0.857 CB 0.718 8 residues pruned to eliminate duplicates Z: 6 4.361 1.614 0.469 0.391 0.800 0.400 N 1.154 6 residues pruned to eliminate duplicates Z: 13 8.732 1.740 0.271 0.455 0.917 0.417 CB 1.302 13 residues pruned to eliminate duplicates Z: 22 29.084 1.863 0.768 0.893 1.000 0.714 CB 1.383 22 residues pruned to eliminate duplicates Z: 11 4.446 1.768 0.323 0.383 0.800 0.300 CB 0.851 11 residues pruned to eliminate duplicates Z: 13 7.186 1.667 0.603 0.389 0.667 0.417 CB 1.310 13 residues pruned to eliminate duplicates Z: 18 7.133 1.629 0.574 0.394 0.765 0.412 CB 0.987 18 residues pruned to eliminate duplicates Z: 40 18.100 1.763 0.818 0.357 0.795 0.436 CB 1.327 40 residues pruned to eliminate duplicates Z: 7 3.904 1.736 0.146 0.523 1.000 0.333 CB 0.783 7 residues pruned to eliminate duplicates Z: 47 27.509 1.823 0.631 0.569 0.935 0.652 CB 1.365 47 residues pruned to eliminate duplicates Z: 12 4.970 1.654 0.636 0.329 0.636 0.364 CB 1.051 Z: 25 12.352 1.761 0.354 0.398 0.917 0.500 CB 1.285 10 residues pruned to eliminate duplicates Z: 11 5.824 1.403 0.504 0.472 0.900 0.700 CB 0.997 11 residues pruned to eliminate duplicates Z: 11 5.958 1.720 0.212 0.438 0.800 0.400 CB 1.204 13 residues pruned to eliminate duplicates Z: 15 8.321 1.761 0.429 0.450 0.786 0.643 CB 1.183 15 residues pruned to eliminate duplicates Z: 20 9.778 1.572 0.440 0.438 0.947 0.684 CB 1.115 20 residues pruned to eliminate duplicates Z: 9 8.604 1.710 0.501 0.511 0.875 0.750 CB 1.339 Z: 12 6.010 1.607 0.403 0.455 0.909 0.636 CB 0.926 Z: 11 7.008 1.631 0.490 0.490 0.800 0.500 CB 1.152 11 residues pruned to eliminate duplicates Z: 15 7.054 1.593 0.642 0.349 0.643 0.500 N 1.320 15 residues pruned to eliminate duplicates 6 1.336 1.474 0.793 0.444 0.800 0.400 CB 0.299 ? Z: 11 7.425 1.648 0.584 0.334 0.900 0.500 CB 1.198 11 residues pruned to eliminate duplicates Z: 22 6.620 1.635 0.184 0.357 0.905 0.524 CB 0.963 36 residues pruned to eliminate duplicates Z: 12 6.950 1.619 0.544 0.510 0.818 0.545 CB 1.014 Z: 9 6.932 1.625 0.862 0.307 0.875 0.500 CB 1.147 9 residues pruned to eliminate duplicates Z: 9 13.332 1.718 0.925 0.721 1.000 0.750 CB 1.168 12 residues pruned to eliminate duplicates Z: 7 4.467 1.676 0.092 0.475 0.833 0.667 CB 1.226 7 residues pruned to eliminate duplicates Z: 6 3.672 1.562 0.733 0.327 0.600 0.400 CB 1.222 Z: 8 4.738 1.705 0.472 0.377 0.714 0.429 CB 1.139 Z: 11 7.904 1.683 0.474 0.474 0.800 0.800 CB 1.293 11 residues pruned to eliminate duplicates Z: 15 10.672 1.831 0.480 0.364 0.929 0.429 CB 1.312 15 residues pruned to eliminate duplicates Z: 10 3.397 1.367 0.355 0.242 0.667 0.444 CB 1.236 6 residues pruned to eliminate duplicates Z: 10 7.848 1.647 0.567 0.526 0.778 0.444 N 1.271 9 residues pruned to eliminate duplicates Z: 6 2.221 1.413 0.116 0.371 0.800 0.800 CB 0.905 Z: 22 27.494 1.771 0.897 0.948 1.000 0.619 CB 1.233 22 residues pruned to eliminate duplicates Z: 20 12.196 1.648 0.605 0.462 0.895 0.526 CB 1.230 19 residues pruned to eliminate duplicates Z: 12 5.700 1.602 0.589 0.405 0.727 0.455 CB 1.026 13 residues pruned to eliminate duplicates Z: 7 5.812 1.655 0.265 0.657 0.833 0.667 CA 1.176 7 residues pruned to eliminate duplicates Z: 10 8.195 1.745 0.343 0.579 0.778 0.667 CB 1.389 10 residues pruned to eliminate duplicates Z: 44 20.378 1.754 0.529 0.534 0.907 0.651 CB 1.236 44 residues pruned to eliminate duplicates Z: 12 15.392 1.648 0.369 0.922 1.000 0.818 CB 1.446 12 residues pruned to eliminate duplicates Z: 23 8.433 1.646 0.196 0.424 0.909 0.500 CB 1.087 23 residues pruned to eliminate duplicates Z: 16 13.923 1.793 1.033 0.429 0.867 0.467 CB 1.225 16 residues pruned to eliminate duplicates Z: 46 23.331 1.822 0.666 0.537 0.867 0.778 CB 1.275 46 residues pruned to eliminate duplicates Z: 16 9.531 1.637 0.696 0.409 0.867 0.600 CB 1.125 17 residues pruned to eliminate duplicates Z: 8 4.976 1.698 0.502 0.469 0.714 0.429 CB 1.065 8 residues pruned to eliminate duplicates Z: 9 3.651 1.567 0.140 0.467 0.750 0.500 CB 0.996 Z: 10 9.143 1.813 0.535 0.563 1.000 0.444 CB 1.031 10 residues pruned to eliminate duplicates Z: 11 12.159 1.703 0.193 0.900 1.000 0.800 CA 1.352 11 residues pruned to eliminate duplicates Z: 6 8.150 1.776 0.425 0.719 1.000 1.000 CB 1.182 Z: 11 10.385 1.633 0.695 0.512 0.900 0.500 CB 1.303 11 residues pruned to eliminate duplicates Z: 12 8.593 1.661 0.735 0.545 0.818 0.636 CB 1.052 14 residues pruned to eliminate duplicates Z: 6 2.335 1.376 0.093 0.512 0.800 0.600 N 0.858 Z: 13 13.296 1.706 0.598 0.800 1.000 0.750 CB 1.083 13 residues pruned to eliminate duplicates Z: 6 2.529 1.313 0.823 0.401 0.800 0.600 CB 0.656 Z: 6 5.978 1.781 0.147 0.450 1.000 0.800 CB 1.379 Z: 12 6.177 1.601 0.497 0.414 0.818 0.545 CB 1.039 12 residues pruned to eliminate duplicates Z: 23 13.873 1.738 0.751 0.359 0.818 0.409 CB 1.383 22 residues pruned to eliminate duplicates Z: 6 4.675 1.545 0.509 0.439 0.800 0.400 N 1.194 Z: 6 11.860 1.569 0.906 0.785 1.000 0.800 CA 1.380 6 residues pruned to eliminate duplicates Z: 6 4.903 1.756 0.794 0.205 0.800 0.200 N 1.234 6 residues pruned to eliminate duplicates Z: 17 5.947 1.703 0.322 0.246 0.750 0.562 CB 1.180 17 residues pruned to eliminate duplicates Z: 14 11.364 1.764 0.302 0.799 0.846 0.769 CB 1.248 14 residues pruned to eliminate duplicates Z: 36 15.912 1.712 0.439 0.455 0.857 0.600 CB 1.333 36 residues pruned to eliminate duplicates Z: 14 9.993 1.767 0.704 0.523 0.769 0.462 CB 1.170 14 residues pruned to eliminate duplicates Z: 19 8.115 1.633 0.513 0.313 0.778 0.333 CB 1.224 19 residues pruned to eliminate duplicates Z: 11 4.117 1.553 0.191 0.428 0.800 0.500 CB 0.949 Z: 7 5.815 1.551 0.807 0.472 0.667 0.667 CA 1.306 Z: 8 13.240 1.707 0.873 0.855 1.000 0.857 CB 1.155 8 residues pruned to eliminate duplicates Z: 17 7.780 1.645 0.254 0.508 0.875 0.562 CB 1.068 17 residues pruned to eliminate duplicates Z: 23 20.244 1.719 0.611 0.862 1.000 0.727 CB 1.145 23 residues pruned to eliminate duplicates Z: 31 14.670 1.695 0.386 0.559 0.867 0.633 CB 1.243 40 residues pruned to eliminate duplicates Z: 11 15.197 1.836 0.717 0.863 0.900 0.900 CB 1.242 11 residues pruned to eliminate duplicates Z: 35 18.652 1.718 0.697 0.446 0.912 0.706 CB 1.272 35 residues pruned to eliminate duplicates Z: 6 7.721 1.563 0.658 0.712 1.000 0.800 CB 1.100 Z: 12 8.103 1.685 0.311 0.507 0.909 0.636 CB 1.208 12 residues pruned to eliminate duplicates Z: 22 24.227 1.805 0.839 0.908 0.952 0.810 CB 1.187 22 residues pruned to eliminate duplicates Z: 23 25.292 1.761 0.725 0.903 1.000 0.818 CB 1.265 23 residues pruned to eliminate duplicates Z: 21 15.982 1.698 0.332 0.908 0.900 0.850 CB 1.246 21 residues pruned to eliminate duplicates Z: 10 8.634 1.727 0.344 0.545 0.778 0.556 CB 1.525 10 residues pruned to eliminate duplicates Z: 11 12.755 1.669 0.436 0.836 1.000 0.800 CA 1.260 9 residues pruned to eliminate duplicates Z: 55 22.812 1.755 0.534 0.515 0.870 0.648 CB 1.306 79 residues pruned to eliminate duplicates Z: 10 7.003 1.616 0.419 0.488 0.778 0.667 CB 1.325 10 residues pruned to eliminate duplicates Z: 12 3.032 1.540 -0.096 0.282 0.909 0.455 CB 0.924 7 residues pruned to eliminate duplicates Z: 12 17.159 1.629 0.936 0.900 1.000 0.727 CB 1.172 12 residues pruned to eliminate duplicates Z: 7 4.419 1.552 0.472 0.618 0.833 0.500 CB 0.847 Z: 52 27.477 1.772 0.578 0.494 0.980 0.686 CB 1.413 52 residues pruned to eliminate duplicates Z: 21 28.065 1.829 0.812 0.917 0.950 0.700 CB 1.407 21 residues pruned to eliminate duplicates Z: 24 16.658 1.782 0.603 0.456 0.913 0.522 CB 1.393 24 residues pruned to eliminate duplicates Z: 6 6.649 1.533 0.234 0.660 1.000 0.400 CA 1.355 Z: 36 20.398 1.749 0.745 0.423 0.971 0.629 CB 1.260 36 residues pruned to eliminate duplicates Z: 23 23.477 1.750 0.828 0.883 0.955 0.727 CB 1.186 23 residues pruned to eliminate duplicates Z: 6 5.699 1.640 0.577 0.614 0.800 0.800 CB 1.106 Z: 13 9.280 1.705 0.274 0.594 1.000 0.583 CB 1.127 13 residues pruned to eliminate duplicates Z: 10 6.521 1.674 0.619 0.487 0.889 0.556 CB 0.914 11 residues pruned to eliminate duplicates Z: 10 4.979 1.615 0.356 0.437 0.667 0.667 N 1.213 10 residues pruned to eliminate duplicates Z: 8 6.012 1.579 0.672 0.462 0.714 0.429 CB 1.252 Z: 10 9.633 1.856 0.489 0.497 1.000 0.778 CB 1.166 11 residues pruned to eliminate duplicates Z: 10 4.760 1.522 0.619 0.412 0.667 0.556 CB 1.060 Z: 14 7.273 1.553 0.709 0.438 0.846 0.615 CB 0.957 14 residues pruned to eliminate duplicates Z: 6 5.855 1.556 0.569 0.652 1.000 0.800 CA 0.931 Z: 9 5.740 1.744 0.099 0.318 1.000 0.500 CB 1.295 9 residues pruned to eliminate duplicates Z: 6 3.668 1.491 0.452 0.369 1.000 0.600 CB 0.872 Z: 9 6.595 1.509 0.780 0.422 0.750 0.250 CB 1.257 Z: 11 10.916 1.799 0.429 0.902 0.900 0.900 CB 1.065 11 residues pruned to eliminate duplicates Z: 16 12.653 1.762 0.797 0.526 0.800 0.600 CB 1.257 16 residues pruned to eliminate duplicates Z: 10 8.905 1.541 0.623 0.593 1.000 0.778 O 1.086 10 residues pruned to eliminate duplicates Z: 35 19.786 1.793 0.600 0.412 0.971 0.559 CB 1.336 35 residues pruned to eliminate duplicates Z: 10 4.546 1.613 0.341 0.318 0.889 0.667 CB 0.963 Z: 14 5.578 1.577 0.386 0.505 0.846 0.462 CB 0.832 23 residues pruned to eliminate duplicates Z: 7 9.359 1.653 0.805 0.557 0.833 0.833 CB 1.454 Z: 19 8.085 1.609 0.327 0.335 0.889 0.556 CB 1.203 19 residues pruned to eliminate duplicates Z: 9 5.607 1.767 0.253 0.321 0.875 0.375 CB 1.246 9 residues pruned to eliminate duplicates Z: 27 14.088 1.731 0.636 0.470 0.923 0.654 CB 1.089 27 residues pruned to eliminate duplicates Z: 22 33.339 1.851 0.907 0.933 1.000 0.810 CB 1.439 22 residues pruned to eliminate duplicates Z: 12 4.889 1.596 0.269 0.386 0.818 0.636 CB 1.005 Z: 8 4.644 1.393 0.638 0.422 0.714 0.571 CB 1.168 5 residues pruned to eliminate duplicates Z: 11 12.354 1.663 0.592 0.621 1.000 0.600 CB 1.316 14 residues pruned to eliminate duplicates Z: 11 4.550 1.613 0.546 0.251 0.700 0.500 N 1.097 11 residues pruned to eliminate duplicates Z: 6 4.669 1.577 0.423 0.447 1.000 0.600 CB 0.982 6 residues pruned to eliminate duplicates Z: 22 23.786 1.765 0.970 0.922 0.952 0.762 CB 1.103 22 residues pruned to eliminate duplicates Z: 23 21.987 1.683 0.678 0.893 0.955 0.682 CB 1.248 23 residues pruned to eliminate duplicates Z: 6 5.319 1.675 -0.121 0.598 1.000 0.400 CA 1.470 Z: 10 13.423 1.791 0.462 0.886 1.000 0.889 CB 1.233 11 residues pruned to eliminate duplicates Z: 6 10.644 1.566 0.962 0.779 1.000 0.600 CB 1.211 5 residues pruned to eliminate duplicates Z: 13 20.560 1.765 0.656 0.908 1.000 0.917 CA 1.442 13 residues pruned to eliminate duplicates Z: 8 4.624 1.499 0.509 0.278 0.857 0.714 CB 1.158 Z: 6 3.009 1.557 0.490 0.432 0.600 0.600 CB 1.037 Z: 12 6.146 1.523 0.363 0.421 0.818 0.545 CB 1.185 Z: 9 5.376 1.598 0.587 0.524 0.625 0.250 CA 1.171 Z: 7 2.703 1.291 0.419 0.342 0.833 0.833 CB 0.859 Z: 7 3.685 1.475 0.258 0.314 0.833 0.500 N 1.195 5 residues pruned to eliminate duplicates Z: 12 11.118 1.596 0.406 0.853 1.000 0.909 CB 1.104 12 residues pruned to eliminate duplicates Z: 22 26.120 1.819 0.662 0.938 1.000 0.952 CB 1.311 22 residues pruned to eliminate duplicates Z: 11 13.496 1.693 0.287 0.872 1.000 0.800 CA 1.428 11 residues pruned to eliminate duplicates Z: 11 4.889 1.688 0.149 0.391 0.800 0.600 CB 1.119 11 residues pruned to eliminate duplicates Z: 7 3.757 1.715 -0.183 0.447 1.000 0.667 CB 1.156 7 residues pruned to eliminate duplicates Z: 35 15.731 1.712 0.550 0.444 0.882 0.529 CB 1.220 35 residues pruned to eliminate duplicates Z: 20 9.446 1.569 0.455 0.499 0.895 0.632 CB 1.063 10 residues pruned to eliminate duplicates Z: 7 3.968 1.752 0.216 0.381 1.000 0.667 CB 0.862 Z: 13 3.300 1.561 0.153 0.299 0.750 0.250 CB 0.883 13 residues pruned to eliminate duplicates Z: 7 3.705 1.703 0.386 0.379 0.667 0.667 CB 1.094 Z: 11 11.244 1.693 0.503 0.671 0.900 0.600 CB 1.325 9 residues pruned to eliminate duplicates Z: 19 15.120 1.853 0.685 0.524 0.889 0.722 CB 1.254 19 residues pruned to eliminate duplicates Z: 14 10.599 1.715 0.840 0.494 0.769 0.538 CB 1.219 14 residues pruned to eliminate duplicates Z: 20 14.592 1.789 0.850 0.342 0.842 0.579 CB 1.426 20 residues pruned to eliminate duplicates Z: 59 28.542 1.784 0.671 0.572 0.914 0.586 CB 1.284 59 residues pruned to eliminate duplicates Z: 6 3.508 1.596 0.703 0.297 0.800 0.400 N 0.905 Z: 14 8.938 1.619 0.575 0.370 0.923 0.538 CB 1.210 13 residues pruned to eliminate duplicates Z: 30 11.722 1.718 0.328 0.406 0.793 0.448 CB 1.328 30 residues pruned to eliminate duplicates Z: 8 3.879 1.415 0.682 0.269 0.714 0.571 N 1.122 Z: 17 8.266 1.678 0.373 0.374 0.812 0.562 CB 1.264 16 residues pruned to eliminate duplicates Z: 15 8.401 1.577 0.321 0.529 0.857 0.571 CB 1.222 15 residues pruned to eliminate duplicates Z: 7 11.463 1.709 0.995 0.701 0.833 0.833 CB 1.372 Z: 8 5.026 1.716 0.446 0.420 0.857 0.429 CB 0.972 8 residues pruned to eliminate duplicates Z: 14 7.908 1.707 0.553 0.367 0.846 0.462 CB 1.128 14 residues pruned to eliminate duplicates Z: 11 8.722 1.776 0.642 0.487 0.800 0.600 CB 1.198 18 residues pruned to eliminate duplicates Z: 12 13.809 1.620 0.352 0.884 1.000 0.727 CB 1.373 12 residues pruned to eliminate duplicates Z: 6 3.031 1.279 0.717 0.731 1.000 0.400 CB 0.502 Z: 6 4.699 1.565 0.196 0.533 1.000 0.600 O 1.087 Z: 22 22.646 1.758 0.918 0.879 0.952 0.524 CB 1.116 22 residues pruned to eliminate duplicates Z: 10 12.368 1.752 0.533 0.866 1.000 0.667 CB 1.124 9 residues pruned to eliminate duplicates Z: 45 22.957 1.697 0.681 0.591 0.932 0.591 CB 1.194 36 residues pruned to eliminate duplicates Z: 19 7.989 1.563 0.398 0.355 0.833 0.500 CB 1.209 19 residues pruned to eliminate duplicates Z: 20 18.919 1.769 0.732 0.890 0.895 0.684 CB 1.140 20 residues pruned to eliminate duplicates Z: 12 9.569 1.649 0.556 0.704 0.909 0.818 CB 1.028 8 residues pruned to eliminate duplicates Z: 6 2.576 1.065 0.444 0.756 1.000 0.800 CB 0.596 Z: 43 19.636 1.727 0.423 0.589 0.881 0.595 CB 1.285 43 residues pruned to eliminate duplicates Z: 12 12.060 1.678 0.553 0.683 0.818 0.636 CB 1.442 12 residues pruned to eliminate duplicates Z: 7 7.630 1.682 0.802 0.594 0.833 0.667 CB 1.128 Z: 37 29.514 1.896 0.487 0.718 0.972 0.806 CB 1.474 37 residues pruned to eliminate duplicates Z: 6 4.264 1.486 0.219 0.471 1.000 0.800 O 1.084 Z: 17 12.646 1.808 0.664 0.409 0.938 0.562 CB 1.233 17 residues pruned to eliminate duplicates Z: 9 3.990 1.365 0.284 0.352 0.875 0.375 N 1.080 9 residues pruned to eliminate duplicates Z: 6 4.850 1.585 0.530 0.802 0.800 0.800 CB 0.859 6 residues pruned to eliminate duplicates Z: 14 8.974 1.660 0.485 0.601 0.846 0.692 CB 1.084 14 residues pruned to eliminate duplicates Z: 27 17.185 1.746 0.662 0.511 0.923 0.769 CB 1.245 27 residues pruned to eliminate duplicates Z: 11 11.310 1.665 0.561 0.609 0.900 0.800 CB 1.378 11 residues pruned to eliminate duplicates Z: 11 7.825 1.782 0.195 0.400 0.900 0.600 N 1.434 Z: 10 4.045 1.472 0.591 0.291 0.667 0.556 N 1.091 Z: 6 2.907 1.046 0.840 0.653 1.000 0.800 N 0.586 Z: 17 8.286 1.664 0.525 0.396 0.875 0.625 CB 1.042 17 residues pruned to eliminate duplicates Z: 6 2.221 1.294 0.869 0.638 0.600 0.400 CB 0.601 Z: 11 2.353 1.399 0.602 0.326 0.600 0.400 CB 0.670 Z: 17 12.272 1.822 0.676 0.444 0.938 0.625 CB 1.134 18 residues pruned to eliminate duplicates Z: 65 28.706 1.788 0.553 0.538 0.953 0.625 CB 1.306 65 residues pruned to eliminate duplicates Z: 19 9.479 1.739 0.353 0.508 0.944 0.611 CB 0.997 19 residues pruned to eliminate duplicates Z: 6 5.660 1.565 0.531 0.674 1.000 0.600 N 0.900 Z: 18 7.202 1.631 0.297 0.405 0.882 0.294 CB 1.034 18 residues pruned to eliminate duplicates Z: 7 2.855 1.424 0.335 0.389 0.667 0.500 N 1.034 Z: 6 5.950 1.704 0.376 0.535 1.000 0.800 CB 1.096 Z: 8 2.352 1.312 0.688 0.327 0.571 0.429 CB 0.849 8 residues pruned to eliminate duplicates Z: 67 33.459 1.837 0.700 0.599 0.879 0.667 CB 1.366 67 residues pruned to eliminate duplicates Z: 17 7.363 1.652 0.530 0.316 0.812 0.438 CB 1.099 22 residues pruned to eliminate duplicates Z: 11 4.181 1.496 0.604 0.203 0.800 0.400 CB 0.981 Z: 7 5.779 1.495 0.398 0.664 0.833 0.833 O 1.164 Z: 10 5.314 1.608 0.343 0.460 0.778 0.778 CB 1.098 10 residues pruned to eliminate duplicates Z: 21 21.409 1.777 0.871 0.902 0.950 0.800 CB 1.081 21 residues pruned to eliminate duplicates Z: 13 6.716 1.632 0.410 0.404 0.917 0.750 CB 1.016 Z: 17 10.053 1.742 0.403 0.368 0.938 0.438 CB 1.264 17 residues pruned to eliminate duplicates Z: 15 5.465 1.650 0.424 0.285 0.786 0.571 CB 1.008 15 residues pruned to eliminate duplicates Z: 19 9.128 1.753 0.210 0.486 0.833 0.778 CB 1.234 22 residues pruned to eliminate duplicates Z: 19 7.962 1.545 0.357 0.415 0.833 0.556 CB 1.175 19 residues pruned to eliminate duplicates Z: 10 5.550 1.453 0.720 0.446 0.667 0.667 CB 1.173 Z: 14 4.151 1.690 0.052 0.373 0.769 0.538 CB 0.965 14 residues pruned to eliminate duplicates Z: 7 5.472 1.490 0.158 0.505 1.000 0.500 CA 1.289 7 residues pruned to eliminate duplicates Z: 18 13.302 1.770 0.658 0.494 0.941 0.706 CB 1.175 22 residues pruned to eliminate duplicates Z: 11 13.777 1.653 0.609 0.812 1.000 0.600 CB 1.249 11 residues pruned to eliminate duplicates Z: 22 23.956 1.767 0.756 0.884 1.000 0.571 CB 1.218 22 residues pruned to eliminate duplicates Z: 8 2.839 1.309 0.338 0.637 0.857 0.571 CB 0.629 Z: 22 26.420 1.754 0.862 0.915 0.952 0.667 CB 1.311 22 residues pruned to eliminate duplicates Z: 10 5.133 1.500 0.466 0.233 0.889 0.444 O 1.194 10 residues pruned to eliminate duplicates Z: 14 15.312 1.802 0.732 0.595 0.923 0.615 CB 1.347 24 residues pruned to eliminate duplicates Z: 6 4.150 1.435 0.999 0.428 0.800 0.400 CB 0.872 Z: 21 22.620 1.760 0.897 0.847 0.900 0.500 CB 1.250 21 residues pruned to eliminate duplicates Z: 42 17.872 1.788 0.596 0.391 0.854 0.610 CB 1.286 42 residues pruned to eliminate duplicates Z: 6 4.381 1.668 0.216 0.502 1.000 0.200 CB 0.965 6 residues pruned to eliminate duplicates Z: 47 28.406 1.864 0.530 0.613 0.935 0.696 CB 1.413 47 residues pruned to eliminate duplicates Z: 8 6.584 1.597 0.775 0.394 0.857 0.429 CB 1.146 8 residues pruned to eliminate duplicates Z: 21 13.568 1.662 0.558 0.563 0.900 0.700 CB 1.225 21 residues pruned to eliminate duplicates Z: 7 2.306 1.326 0.373 0.363 0.667 0.333 O 0.898 Z: 9 4.894 1.542 0.433 0.615 0.875 0.875 CB 0.802 Z: 6 6.213 1.332 0.630 0.576 1.000 1.000 O 1.189 Z: 10 14.139 1.727 0.609 0.682 1.000 0.889 CB 1.435 11 residues pruned to eliminate duplicates Z: 24 8.935 1.581 0.709 0.342 0.826 0.435 CB 0.991 24 residues pruned to eliminate duplicates Z: 21 12.198 1.706 0.567 0.421 0.900 0.500 CB 1.231 21 residues pruned to eliminate duplicates Z: 22 14.378 1.728 0.644 0.466 0.905 0.667 CB 1.264 22 residues pruned to eliminate duplicates Z: 19 10.027 1.646 0.462 0.390 0.944 0.500 CB 1.169 19 residues pruned to eliminate duplicates Z: 12 7.304 1.714 0.402 0.445 0.818 0.545 CB 1.185 12 residues pruned to eliminate duplicates Z: 7 4.405 1.376 0.861 0.491 0.833 0.667 CB 0.851 7 residues pruned to eliminate duplicates Z: 14 9.948 1.702 0.552 0.465 0.923 0.769 CB 1.172 14 residues pruned to eliminate duplicates Z: 6 4.009 1.617 -0.052 0.629 1.000 0.600 CB 1.035 Z: 7 4.075 1.591 0.263 0.538 0.833 0.500 CB 0.957 7 residues pruned to eliminate duplicates Z: 20 10.331 1.696 0.436 0.393 0.895 0.579 CB 1.219 15 residues pruned to eliminate duplicates Z: 11 3.420 1.383 0.156 0.555 0.900 0.600 CB 0.713 8 residues pruned to eliminate duplicates Z: 18 10.162 1.691 0.574 0.403 0.882 0.529 CB 1.162 22 residues pruned to eliminate duplicates Z: 13 5.188 1.488 0.361 0.377 0.667 0.583 O 1.264 11 residues pruned to eliminate duplicates Z: 8 7.103 1.664 0.709 0.723 1.000 0.857 CB 0.772 8 residues pruned to eliminate duplicates Z: 15 6.680 1.601 0.343 0.333 0.786 0.429 N 1.269 15 residues pruned to eliminate duplicates 6 1.675 1.503 0.829 0.153 0.400 0.200 CB 1.043 ? Z: 63 26.870 1.767 0.627 0.546 0.903 0.500 CB 1.257 63 residues pruned to eliminate duplicates Z: 9 5.454 1.738 0.177 0.441 0.875 0.750 CB 1.145 8 residues pruned to eliminate duplicates Z: 11 7.562 1.565 1.062 0.446 0.700 0.600 CB 1.120 11 residues pruned to eliminate duplicates Z: 23 11.593 1.617 0.619 0.506 0.955 0.545 CB 0.983 21 residues pruned to eliminate duplicates Z: 30 15.655 1.721 0.681 0.525 0.828 0.517 CB 1.184 30 residues pruned to eliminate duplicates Z: 21 8.471 1.612 0.417 0.495 0.850 0.600 CB 0.980 21 residues pruned to eliminate duplicates Z: 7 5.425 1.632 0.025 0.634 1.000 0.500 CB 1.168 7 residues pruned to eliminate duplicates Z: 22 17.483 1.818 0.581 0.605 0.952 0.667 CB 1.261 22 residues pruned to eliminate duplicates Z: 6 3.124 1.557 0.497 0.570 1.000 0.600 CB 0.560 Z: 9 2.932 1.598 0.056 0.502 0.750 0.250 CB 0.817 9 residues pruned to eliminate duplicates Z: 8 4.368 1.733 0.395 0.593 0.857 0.429 CB 0.729 8 residues pruned to eliminate duplicates Z: 23 24.475 1.697 0.966 0.877 0.955 0.500 CB 1.190 23 residues pruned to eliminate duplicates Z: 33 13.673 1.687 0.555 0.392 0.875 0.500 CB 1.181 33 residues pruned to eliminate duplicates Z: 9 4.132 1.583 0.228 0.471 0.750 0.500 CB 1.032 9 residues pruned to eliminate duplicates Z: 9 4.434 1.583 0.088 0.461 0.875 0.500 CB 1.083 9 residues pruned to eliminate duplicates Z: 6 5.226 1.628 0.050 0.735 0.800 0.600 CB 1.384 5 residues pruned to eliminate duplicates Z: 7 2.888 1.495 0.085 0.528 0.833 0.667 CB 0.848 Z: 10 6.047 1.440 0.786 0.503 0.778 0.556 CB 1.004 11 residues pruned to eliminate duplicates Z: 45 36.566 1.858 0.737 0.667 1.000 0.682 CB 1.464 45 residues pruned to eliminate duplicates Z: 10 9.716 1.652 0.555 0.662 1.000 0.889 CB 1.084 10 residues pruned to eliminate duplicates Z: 11 4.806 1.652 0.397 0.408 1.000 0.500 CB 0.726 Z: 18 13.367 1.697 0.874 0.650 0.941 0.412 CB 0.942 18 residues pruned to eliminate duplicates Z: 15 12.730 1.721 0.640 0.613 0.857 0.643 CB 1.263 15 residues pruned to eliminate duplicates Z: 27 10.228 1.654 0.293 0.354 0.923 0.423 CB 1.190 27 residues pruned to eliminate duplicates Z: 8 3.517 1.452 0.003 0.567 0.714 0.571 CA 1.197 6 residues pruned to eliminate duplicates 845 residues left after pruning, divided into chains as follows: A: 8 B: 34 C: 31 D: 33 E: 7 F: 16 G: 6 H: 15 I: 95 J: 100 K: 9 L: 13 M: 6 N: 6 O: 10 P: 75 Q: 17 R: 11 S: 17 T: 18 U: 34 V: 31 W: 32 X: 21 Y: 13 Z: 105 Z: 17 Z: 29 Z: 36 CC for partial structure against native data = 38.94 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.476, Connect. = 0.672 for dens.mod. cycle 1 = 0.300, Contrast = 0.551, Connect. = 0.700 for dens.mod. cycle 2 = 0.300, Contrast = 0.654, Connect. = 0.731 for dens.mod. cycle 3 = 0.300, Contrast = 0.664, Connect. = 0.734 for dens.mod. cycle 4 = 0.300, Contrast = 0.675, Connect. = 0.736 for dens.mod. cycle 5 = 0.300, Contrast = 0.677, Connect. = 0.737 for dens.mod. cycle 6 = 0.300, Contrast = 0.681, Connect. = 0.739 for dens.mod. cycle 7 = 0.300, Contrast = 0.682, Connect. = 0.740 for dens.mod. cycle 8 = 0.300, Contrast = 0.684, Connect. = 0.741 for dens.mod. cycle 9 = 0.300, Contrast = 0.683, Connect. = 0.742 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3027 peaks > 0.5 sigma used to seed fragment search Space for about 1420 unique residues taking solvent into account 825 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 26.464 1.910 0.548 0.895 1.000 0.950 CB 1.435 B: 11 8.510 1.557 0.844 0.433 0.900 0.500 CB 1.116 C: 21 10.417 1.922 0.384 0.373 0.800 0.300 CB 1.254 D: 12 16.199 1.792 0.455 0.857 1.000 0.818 CB 1.381 E: 6 9.419 1.881 0.439 0.729 1.000 0.800 CB 1.266 F: 12 12.878 1.834 0.878 0.520 0.909 0.545 CB 1.216 G: 9 14.666 1.843 0.669 0.722 1.000 0.875 CB 1.380 H: 6 9.412 1.808 0.454 0.776 0.800 0.600 N 1.569 I: 20 28.883 1.928 0.857 0.925 1.000 0.737 CB 1.298 6 residues pruned to eliminate duplicates J: 10 15.183 1.843 0.437 0.885 1.000 0.778 N 1.379 K: 10 7.880 1.707 0.494 0.391 0.889 0.667 N 1.301 10 residues pruned to eliminate duplicates L: 16 21.881 1.874 0.686 0.872 0.933 0.667 CB 1.397 M: 19 10.252 1.805 0.455 0.535 0.778 0.500 CB 1.142 N: 7 6.544 1.819 0.093 0.651 1.000 0.833 CB 1.167 O: 14 10.333 1.861 0.274 0.434 0.923 0.538 CB 1.402 P: 20 28.421 1.959 0.946 0.921 0.947 0.632 CB 1.271 20 residues pruned to eliminate duplicates Q: 8 5.822 1.829 0.068 0.423 0.857 0.429 CB 1.425 8 residues pruned to eliminate duplicates R: 21 22.408 1.885 0.796 0.889 0.900 0.700 CB 1.184 21 residues pruned to eliminate duplicates S: 9 7.405 1.956 0.378 0.446 0.750 0.625 CB 1.368 9 residues pruned to eliminate duplicates T: 12 12.936 1.770 0.419 0.769 0.909 0.364 CB 1.345 U: 35 17.861 1.911 0.489 0.429 0.912 0.588 CB 1.271 V: 21 29.423 1.914 0.666 0.910 1.000 0.900 CB 1.464 21 residues pruned to eliminate duplicates W: 9 8.245 1.739 0.937 0.420 0.750 0.500 CB 1.254 X: 13 12.604 1.840 0.461 0.433 0.917 0.667 O 1.583 13 residues pruned to eliminate duplicates Y: 13 6.444 1.822 0.547 0.475 0.667 0.417 CB 1.016 Z: 31 26.046 1.901 0.478 0.730 0.967 0.900 CB 1.423 16 residues pruned to eliminate duplicates Z: 11 8.031 1.643 0.598 0.394 0.800 0.500 CB 1.351 Z: 17 13.486 1.803 0.298 0.873 0.938 0.875 CB 1.119 Z: 25 10.333 1.805 0.418 0.354 0.792 0.542 CB 1.220 25 residues pruned to eliminate duplicates Z: 20 24.897 1.871 0.845 0.931 1.000 0.842 CB 1.156 20 residues pruned to eliminate duplicates Z: 21 12.004 1.871 0.381 0.406 0.900 0.500 CB 1.274 Z: 22 31.887 1.889 0.835 0.924 1.000 0.762 CB 1.410 21 residues pruned to eliminate duplicates Z: 13 13.340 1.943 0.678 0.437 1.000 0.583 CB 1.261 Z: 15 5.191 1.725 0.398 0.329 0.571 0.286 CB 1.215 13 residues pruned to eliminate duplicates Z: 15 7.778 1.716 0.427 0.350 0.857 0.571 CB 1.165 9 residues pruned to eliminate duplicates Z: 6 10.016 1.726 0.384 0.868 1.000 1.000 CB 1.371 6 residues pruned to eliminate duplicates Z: 14 11.725 1.883 0.427 0.385 0.923 0.615 CB 1.482 14 residues pruned to eliminate duplicates Z: 23 25.652 1.864 0.447 0.904 1.000 0.909 CB 1.444 23 residues pruned to eliminate duplicates Z: 13 4.853 1.710 0.302 0.398 0.750 0.500 CB 0.934 Z: 21 25.809 1.868 0.471 0.892 1.000 0.800 CB 1.509 22 residues pruned to eliminate duplicates Z: 8 12.185 1.830 0.418 0.725 1.000 0.857 CA 1.449 Z: 11 11.241 1.731 0.353 0.910 0.900 0.700 CB 1.196 12 residues pruned to eliminate duplicates Z: 13 6.872 1.648 0.330 0.466 0.833 0.583 CB 1.124 Z: 12 14.625 1.762 0.534 0.888 0.909 0.727 CB 1.293 10 residues pruned to eliminate duplicates Z: 17 9.310 1.727 0.599 0.308 0.812 0.438 N 1.284 14 residues pruned to eliminate duplicates Z: 28 14.372 1.808 0.612 0.351 0.889 0.593 CB 1.254 28 residues pruned to eliminate duplicates Z: 13 7.229 1.804 0.168 0.399 0.917 0.583 CB 1.201 13 residues pruned to eliminate duplicates Z: 12 11.406 1.822 0.695 0.614 0.818 0.545 CB 1.222 18 residues pruned to eliminate duplicates Z: 11 6.957 1.713 0.485 0.426 0.900 0.800 CB 1.038 Z: 9 6.258 1.838 0.055 0.544 0.875 0.625 CB 1.250 Z: 20 27.812 1.968 0.520 0.922 1.000 0.842 CB 1.500 20 residues pruned to eliminate duplicates Z: 7 8.747 1.811 0.592 0.864 0.833 0.833 CB 1.090 7 residues pruned to eliminate duplicates 6 1.908 1.601 0.331 0.442 0.600 0.600 CB 0.709 ? Z: 22 27.363 1.881 0.912 0.857 0.905 0.714 CB 1.352 22 residues pruned to eliminate duplicates Z: 9 12.110 1.902 0.485 0.709 1.000 0.875 CB 1.253 9 residues pruned to eliminate duplicates Z: 10 15.740 1.907 0.647 0.834 0.889 0.778 CB 1.408 10 residues pruned to eliminate duplicates Z: 6 8.294 2.033 0.251 0.673 1.000 0.600 CB 1.244 Z: 18 9.910 1.809 0.346 0.369 0.941 0.529 CB 1.207 18 residues pruned to eliminate duplicates Z: 18 26.598 1.967 0.806 0.911 1.000 0.941 CB 1.287 18 residues pruned to eliminate duplicates Z: 21 28.150 1.942 0.699 0.884 0.950 0.900 CB 1.452 21 residues pruned to eliminate duplicates Z: 20 29.014 1.956 0.628 0.917 1.000 0.632 CB 1.475 20 residues pruned to eliminate duplicates Z: 15 13.320 1.780 0.875 0.481 0.929 0.643 CB 1.171 19 residues pruned to eliminate duplicates Z: 11 11.726 1.875 0.294 0.866 0.900 0.900 CB 1.243 Z: 20 25.415 1.954 0.457 0.933 1.000 0.737 CB 1.429 20 residues pruned to eliminate duplicates Z: 17 17.982 1.754 0.613 0.902 1.000 0.688 CB 1.134 13 residues pruned to eliminate duplicates Z: 9 10.265 1.842 0.348 0.548 1.000 0.625 CB 1.396 Z: 19 24.855 1.921 0.735 0.925 1.000 1.000 CB 1.233 19 residues pruned to eliminate duplicates Z: 14 7.086 1.671 0.436 0.459 0.846 0.538 CB 1.009 14 residues pruned to eliminate duplicates Z: 17 7.657 1.816 0.322 0.361 0.750 0.562 CB 1.235 Z: 12 12.929 1.775 0.253 0.882 0.909 0.727 CB 1.396 11 residues pruned to eliminate duplicates Z: 7 6.749 1.707 0.196 0.564 1.000 0.667 CB 1.268 Z: 18 24.770 1.777 0.907 0.905 1.000 0.765 CB 1.262 21 residues pruned to eliminate duplicates Z: 42 16.485 1.890 0.389 0.466 0.829 0.439 CB 1.225 31 residues pruned to eliminate duplicates Z: 6 5.954 1.735 0.342 0.415 1.000 0.400 CB 1.250 Z: 7 11.530 1.853 0.620 0.631 1.000 0.500 CB 1.386 Z: 8 3.380 1.666 0.449 0.338 0.857 0.571 CB 0.737 Z: 22 11.024 1.789 0.384 0.441 0.857 0.524 CB 1.205 Z: 15 13.369 1.861 0.535 0.409 0.929 0.571 CB 1.482 16 residues pruned to eliminate duplicates Z: 13 5.091 1.534 0.297 0.501 0.917 0.583 CB 0.806 Z: 6 7.587 1.981 0.486 0.821 0.800 0.800 CB 1.090 6 residues pruned to eliminate duplicates Z: 6 7.021 1.802 0.473 0.564 0.800 0.800 CB 1.389 Z: 18 8.635 1.699 0.526 0.480 0.765 0.588 CB 1.078 10 residues pruned to eliminate duplicates Z: 9 8.971 1.509 0.840 0.613 0.875 0.500 CA 1.173 Z: 19 14.966 1.883 0.592 0.479 0.944 0.722 CB 1.273 Z: 17 18.584 1.806 0.505 0.892 0.938 0.812 CB 1.310 16 residues pruned to eliminate duplicates Z: 29 18.829 1.862 0.586 0.430 0.929 0.607 CB 1.395 21 residues pruned to eliminate duplicates Z: 54 32.036 1.885 0.637 0.671 0.906 0.698 CB 1.345 57 residues pruned to eliminate duplicates Z: 6 5.370 1.608 0.398 0.538 0.800 0.600 C 1.287 Z: 20 14.455 1.865 0.482 0.582 0.842 0.684 CB 1.317 19 residues pruned to eliminate duplicates Z: 18 10.576 1.774 0.576 0.426 0.824 0.647 CB 1.203 17 residues pruned to eliminate duplicates Z: 29 12.353 1.762 0.378 0.404 0.893 0.500 CB 1.191 Z: 21 22.338 1.820 0.470 0.889 1.000 0.800 CB 1.345 21 residues pruned to eliminate duplicates Z: 21 26.911 1.931 0.584 0.914 0.950 0.750 CB 1.464 21 residues pruned to eliminate duplicates Z: 22 27.650 1.909 0.600 0.876 1.000 0.857 CB 1.436 22 residues pruned to eliminate duplicates Z: 22 11.829 1.827 0.530 0.464 0.857 0.476 CB 1.117 12 residues pruned to eliminate duplicates Z: 20 13.214 1.836 0.638 0.570 0.895 0.684 CB 1.052 Z: 9 7.464 1.729 0.032 0.852 1.000 0.750 CB 1.093 9 residues pruned to eliminate duplicates Z: 11 7.831 1.731 0.557 0.523 0.800 0.700 CB 1.122 Z: 6 2.487 1.602 0.283 0.391 0.600 0.400 CB 1.012 Z: 10 5.683 1.754 0.582 0.523 0.778 0.556 CB 0.858 11 residues pruned to eliminate duplicates Z: 6 5.455 1.794 0.476 0.582 0.800 0.600 CB 1.064 Z: 22 24.377 1.833 0.677 0.890 1.000 0.810 CB 1.245 22 residues pruned to eliminate duplicates Z: 18 11.250 1.818 0.666 0.438 0.824 0.588 CB 1.166 9 residues pruned to eliminate duplicates Z: 13 8.570 1.634 0.202 0.678 0.917 0.500 CB 1.167 Z: 14 7.783 1.808 0.184 0.410 0.923 0.692 CB 1.200 14 residues pruned to eliminate duplicates Z: 13 8.916 1.831 0.137 0.432 0.917 0.500 CB 1.447 Z: 10 10.502 1.769 0.513 0.478 1.000 0.556 CB 1.337 Z: 11 13.079 1.791 0.292 0.903 1.000 0.900 CB 1.275 11 residues pruned to eliminate duplicates Z: 10 8.245 1.761 0.607 0.342 0.778 0.333 CB 1.483 Z: 10 9.319 1.780 0.600 0.547 0.889 0.444 CB 1.172 14 residues pruned to eliminate duplicates Z: 8 5.655 1.597 0.360 0.465 0.857 0.429 CB 1.190 Z: 23 11.529 1.814 0.406 0.443 0.955 0.591 CB 1.071 26 residues pruned to eliminate duplicates Z: 14 9.661 1.853 -0.096 0.886 1.000 0.769 CB 1.155 14 residues pruned to eliminate duplicates Z: 25 14.647 1.868 0.300 0.491 0.917 0.542 CB 1.355 25 residues pruned to eliminate duplicates Z: 18 12.340 1.843 0.324 0.533 0.941 0.647 CB 1.262 18 residues pruned to eliminate duplicates Z: 7 5.975 1.820 0.396 0.533 0.833 0.667 CB 1.115 Z: 14 5.506 1.694 0.259 0.327 0.923 0.615 CB 0.938 14 residues pruned to eliminate duplicates Z: 22 12.517 1.773 0.554 0.540 0.952 0.714 CB 1.001 21 residues pruned to eliminate duplicates Z: 6 3.406 1.721 -0.290 0.606 1.000 1.000 CB 1.128 Z: 9 4.543 1.523 0.542 0.438 0.750 0.625 CB 0.973 Z: 23 28.155 1.848 0.651 0.901 1.000 0.727 CB 1.404 22 residues pruned to eliminate duplicates Z: 21 25.118 1.841 0.596 0.917 1.000 0.950 CB 1.349 21 residues pruned to eliminate duplicates Z: 9 4.563 1.603 0.518 0.341 0.750 0.250 CB 1.051 7 residues pruned to eliminate duplicates Z: 10 7.873 1.777 0.429 0.519 0.778 0.556 CB 1.305 9 residues pruned to eliminate duplicates Z: 12 12.118 1.784 0.741 0.609 0.909 0.636 CB 1.167 Z: 20 24.377 1.898 0.585 0.939 1.000 1.000 CB 1.291 20 residues pruned to eliminate duplicates Z: 7 5.979 1.672 0.550 0.309 0.833 0.500 O 1.397 Z: 7 7.314 1.575 0.875 0.511 0.833 0.500 CA 1.201 7 residues pruned to eliminate duplicates Z: 7 6.019 1.648 0.424 0.469 1.000 0.500 CB 1.081 Z: 22 10.443 1.760 0.351 0.472 0.762 0.619 CB 1.295 22 residues pruned to eliminate duplicates Z: 12 7.766 1.834 0.220 0.389 1.000 0.455 CB 1.177 12 residues pruned to eliminate duplicates Z: 6 2.331 1.714 0.410 0.449 0.600 0.400 CB 0.758 5 residues pruned to eliminate duplicates Z: 8 5.757 1.475 0.491 0.563 1.000 0.857 CB 0.931 8 residues pruned to eliminate duplicates Z: 22 21.293 1.863 0.292 0.925 0.952 0.857 CB 1.422 22 residues pruned to eliminate duplicates Z: 33 12.623 1.753 0.418 0.477 0.875 0.594 CB 1.050 33 residues pruned to eliminate duplicates Z: 9 3.055 1.773 -0.144 0.553 0.875 0.750 CB 0.773 Z: 7 6.101 1.534 0.333 0.574 0.833 0.833 CB 1.361 Z: 8 2.709 1.680 0.032 0.429 0.714 0.429 CB 0.889 7 residues pruned to eliminate duplicates Z: 13 8.156 1.975 0.427 0.407 0.750 0.583 CB 1.228 13 residues pruned to eliminate duplicates Z: 19 21.340 1.774 0.637 0.930 1.000 0.722 CB 1.211 18 residues pruned to eliminate duplicates Z: 9 4.090 1.604 0.395 0.494 0.875 0.375 CB 0.743 7 residues pruned to eliminate duplicates Z: 7 5.286 1.583 0.265 0.601 1.000 0.667 CB 0.979 7 residues pruned to eliminate duplicates Z: 11 11.805 1.741 0.349 0.843 0.900 0.700 CB 1.315 11 residues pruned to eliminate duplicates Z: 12 12.191 1.761 0.945 0.438 0.818 0.545 N 1.399 12 residues pruned to eliminate duplicates Z: 22 13.999 1.880 0.659 0.402 0.905 0.667 CB 1.200 22 residues pruned to eliminate duplicates Z: 22 31.646 1.882 0.714 0.913 1.000 0.905 CB 1.515 22 residues pruned to eliminate duplicates Z: 12 12.999 1.902 0.205 0.822 1.000 0.727 CB 1.293 12 residues pruned to eliminate duplicates Z: 30 25.755 1.920 0.420 0.765 1.000 0.931 CB 1.387 30 residues pruned to eliminate duplicates Z: 7 9.236 1.871 0.562 0.615 0.833 0.667 CB 1.388 7 residues pruned to eliminate duplicates Z: 8 4.009 1.669 -0.090 0.645 0.857 0.571 CB 1.016 Z: 11 9.659 1.639 0.542 0.530 0.900 0.700 CB 1.303 Z: 21 10.885 1.762 0.443 0.368 0.950 0.550 CB 1.161 21 residues pruned to eliminate duplicates Z: 12 10.981 1.800 0.673 0.632 1.000 0.818 CB 0.971 13 residues pruned to eliminate duplicates Z: 16 9.427 1.801 0.334 0.512 0.867 0.533 CB 1.155 18 residues pruned to eliminate duplicates Z: 21 26.330 1.878 0.901 0.894 0.950 0.650 CB 1.246 21 residues pruned to eliminate duplicates Z: 52 32.053 1.934 0.478 0.644 0.961 0.765 CB 1.428 55 residues pruned to eliminate duplicates Z: 6 5.240 1.507 0.279 0.777 0.800 0.800 CA 1.190 Z: 36 19.794 1.861 0.506 0.446 0.943 0.600 CB 1.338 36 residues pruned to eliminate duplicates Z: 24 14.915 1.851 0.658 0.444 0.913 0.696 CB 1.176 24 residues pruned to eliminate duplicates Z: 24 12.136 1.777 0.557 0.468 0.870 0.478 CB 1.087 25 residues pruned to eliminate duplicates Z: 13 6.051 1.732 0.763 0.501 0.750 0.500 CB 0.762 13 residues pruned to eliminate duplicates Z: 19 12.861 1.786 0.605 0.577 0.944 0.611 CB 1.040 19 residues pruned to eliminate duplicates Z: 10 4.792 1.572 0.523 0.355 0.667 0.333 N 1.170 Z: 17 13.686 1.782 0.879 0.461 1.000 0.562 CB 1.064 Z: 21 16.430 1.778 0.679 0.512 0.900 0.600 CB 1.351 26 residues pruned to eliminate duplicates Z: 22 27.775 1.858 0.616 0.903 1.000 0.857 CB 1.439 22 residues pruned to eliminate duplicates Z: 14 7.302 1.618 0.541 0.403 0.846 0.462 CB 1.063 Z: 9 5.993 1.906 0.289 0.457 0.750 0.500 CB 1.202 9 residues pruned to eliminate duplicates Z: 22 15.200 1.870 0.400 0.608 0.905 0.619 CB 1.264 22 residues pruned to eliminate duplicates Z: 12 11.877 1.780 0.787 0.464 0.909 0.727 CB 1.284 10 residues pruned to eliminate duplicates Z: 6 2.615 1.591 0.732 0.289 0.600 0.400 CB 0.896 Z: 21 14.403 1.689 0.809 0.460 0.900 0.600 CB 1.220 18 residues pruned to eliminate duplicates Z: 6 8.538 1.739 0.162 0.840 1.000 0.800 CB 1.409 Z: 11 5.959 1.822 0.060 0.417 0.900 0.600 CB 1.183 9 residues pruned to eliminate duplicates Z: 24 16.478 1.927 0.610 0.389 1.000 0.609 CB 1.246 24 residues pruned to eliminate duplicates Z: 25 7.450 1.735 0.090 0.323 0.917 0.458 CB 1.066 25 residues pruned to eliminate duplicates Z: 7 2.724 1.438 0.167 0.302 0.833 0.500 O 0.992 Z: 21 30.086 1.929 0.801 0.920 1.000 0.850 CB 1.363 21 residues pruned to eliminate duplicates Z: 17 16.559 1.859 0.353 0.897 0.938 0.875 CB 1.256 17 residues pruned to eliminate duplicates Z: 11 15.514 1.909 0.584 0.897 1.000 0.700 CB 1.162 11 residues pruned to eliminate duplicates Z: 11 13.178 1.800 0.806 0.730 0.900 0.900 CB 1.158 11 residues pruned to eliminate duplicates Z: 7 7.352 1.773 0.561 0.407 0.833 0.500 CB 1.435 Z: 7 6.365 1.656 0.609 0.560 0.833 0.667 CB 1.104 Z: 17 22.069 1.844 0.721 0.914 1.000 0.688 CB 1.230 17 residues pruned to eliminate duplicates Z: 18 12.111 1.833 0.682 0.558 0.941 0.529 CB 0.957 18 residues pruned to eliminate duplicates Z: 7 5.980 1.357 0.490 0.625 1.000 0.667 N 1.073 6 residues pruned to eliminate duplicates Z: 14 14.263 1.854 0.544 0.546 0.846 0.538 N 1.563 14 residues pruned to eliminate duplicates Z: 21 28.390 1.909 0.865 0.898 0.900 0.800 CB 1.417 21 residues pruned to eliminate duplicates Z: 17 11.606 1.883 0.472 0.459 0.938 0.562 CB 1.164 17 residues pruned to eliminate duplicates Z: 8 7.215 1.815 0.797 0.304 0.857 0.571 CB 1.213 8 residues pruned to eliminate duplicates Z: 15 6.712 1.660 0.331 0.340 0.786 0.571 CB 1.230 Z: 14 7.699 1.823 0.392 0.546 0.846 0.385 CB 0.950 Z: 9 10.264 1.659 0.415 0.820 1.000 0.750 CB 1.171 7 residues pruned to eliminate duplicates Z: 8 4.359 1.807 0.215 0.419 1.000 0.571 CB 0.817 8 residues pruned to eliminate duplicates Z: 21 17.777 1.899 0.397 0.647 0.950 0.600 CB 1.374 23 residues pruned to eliminate duplicates Z: 19 10.397 1.829 0.380 0.421 0.944 0.333 CB 1.117 18 residues pruned to eliminate duplicates Z: 11 16.202 1.913 0.438 0.929 1.000 1.000 CB 1.303 11 residues pruned to eliminate duplicates Z: 19 8.487 1.732 0.355 0.371 0.833 0.500 CB 1.175 Z: 12 8.104 1.757 0.234 0.455 1.000 0.455 CB 1.180 11 residues pruned to eliminate duplicates Z: 7 8.340 1.800 0.816 0.606 0.833 0.500 CB 1.130 Z: 9 7.281 1.670 0.489 0.361 0.875 0.500 CB 1.373 Z: 19 5.371 1.732 0.144 0.359 0.722 0.389 CB 1.031 19 residues pruned to eliminate duplicates Z: 10 6.268 1.767 0.354 0.385 0.778 0.556 CB 1.268 7 residues pruned to eliminate duplicates Z: 6 5.532 1.668 0.118 0.778 1.000 1.000 CB 1.038 Z: 21 24.703 1.885 0.503 0.900 1.000 0.800 CB 1.392 21 residues pruned to eliminate duplicates Z: 7 6.585 1.768 0.284 0.497 0.833 0.667 CB 1.425 15 residues pruned to eliminate duplicates Z: 51 19.366 1.709 0.503 0.482 0.880 0.540 CB 1.233 39 residues pruned to eliminate duplicates Z: 18 7.845 1.522 0.531 0.417 0.824 0.471 CB 1.082 6 0.910 1.723 0.472 0.591 0.800 0.800 CB 0.184 ? Z: 26 9.598 1.683 0.408 0.461 0.800 0.440 CB 1.053 11 residues pruned to eliminate duplicates Z: 25 11.908 1.781 0.588 0.452 0.750 0.625 CB 1.204 25 residues pruned to eliminate duplicates Z: 6 7.428 1.817 0.102 0.817 1.000 0.800 CB 1.259 Z: 21 30.462 1.866 0.805 0.902 1.000 0.900 CB 1.443 21 residues pruned to eliminate duplicates Z: 7 2.955 1.582 0.139 0.500 0.833 0.500 CB 0.804 Z: 8 6.101 1.675 0.729 0.468 0.857 0.571 CB 0.960 8 residues pruned to eliminate duplicates Z: 12 7.298 1.532 0.545 0.497 0.818 0.455 CB 1.140 Z: 12 13.478 1.757 0.258 0.879 1.000 0.818 CB 1.332 11 residues pruned to eliminate duplicates Z: 32 14.784 1.776 0.522 0.480 0.903 0.452 CB 1.110 39 residues pruned to eliminate duplicates Z: 6 4.449 1.544 0.518 0.393 1.000 0.600 CB 0.951 Z: 11 9.352 1.738 0.396 0.557 0.900 0.600 CB 1.282 13 residues pruned to eliminate duplicates Z: 31 15.124 1.759 0.602 0.395 0.933 0.700 CB 1.173 30 residues pruned to eliminate duplicates Z: 12 9.502 1.761 0.408 0.795 0.818 0.636 CB 1.090 12 residues pruned to eliminate duplicates Z: 21 28.832 1.849 1.088 0.886 0.950 0.500 CB 1.269 21 residues pruned to eliminate duplicates Z: 6 15.231 1.834 1.012 0.818 1.000 0.800 CB 1.401 6 residues pruned to eliminate duplicates Z: 9 2.922 1.453 0.469 0.255 0.750 0.500 CB 0.855 Z: 17 9.031 1.782 0.324 0.385 0.812 0.500 CB 1.332 17 residues pruned to eliminate duplicates Z: 21 30.162 1.955 0.884 0.890 0.950 0.800 CB 1.387 21 residues pruned to eliminate duplicates Z: 32 19.698 1.945 0.453 0.444 1.000 0.613 CB 1.326 31 residues pruned to eliminate duplicates Z: 23 25.767 1.861 0.403 0.902 1.000 0.909 CB 1.500 23 residues pruned to eliminate duplicates Z: 6 5.303 1.597 0.060 0.807 1.000 1.000 CB 1.072 6 residues pruned to eliminate duplicates Z: 20 14.255 1.910 0.447 0.464 1.000 0.684 CB 1.228 20 residues pruned to eliminate duplicates Z: 14 5.725 1.645 0.247 0.350 0.769 0.538 CB 1.184 14 residues pruned to eliminate duplicates Z: 7 6.150 1.611 1.098 0.396 0.667 0.500 N 1.243 Z: 11 8.100 1.703 0.272 0.588 0.900 0.500 CB 1.207 5 residues pruned to eliminate duplicates Z: 28 14.085 1.770 0.422 0.443 0.963 0.667 CB 1.186 28 residues pruned to eliminate duplicates Z: 13 6.780 1.735 0.200 0.416 0.917 0.667 CB 1.120 6 residues pruned to eliminate duplicates Z: 40 15.535 1.727 0.630 0.386 0.821 0.564 CB 1.215 33 residues pruned to eliminate duplicates Z: 9 4.607 1.699 0.260 0.473 0.750 0.625 N 1.043 Z: 9 6.206 1.559 0.435 0.485 0.875 0.750 CB 1.138 Z: 9 7.919 1.798 0.309 0.362 1.000 0.625 CB 1.379 9 residues pruned to eliminate duplicates Z: 7 9.314 1.921 0.161 0.716 1.000 0.667 CA 1.402 7 residues pruned to eliminate duplicates Z: 20 30.986 1.977 0.826 0.924 1.000 0.789 CB 1.383 20 residues pruned to eliminate duplicates Z: 6 3.259 1.708 0.527 0.560 0.800 0.800 CB 0.659 Z: 36 20.441 1.917 0.462 0.473 0.943 0.600 CB 1.344 42 residues pruned to eliminate duplicates Z: 7 2.272 1.220 0.305 0.743 0.833 0.667 C 0.563 Z: 15 10.895 1.853 0.399 0.496 0.929 0.643 CB 1.215 15 residues pruned to eliminate duplicates Z: 10 10.417 1.803 0.561 0.587 0.889 0.667 CB 1.277 10 residues pruned to eliminate duplicates Z: 12 7.681 1.593 0.693 0.495 0.818 0.636 CB 1.055 11 residues pruned to eliminate duplicates Z: 8 4.274 1.615 0.370 0.613 0.857 0.714 CB 0.766 Z: 8 7.255 1.631 0.712 0.520 0.857 0.714 CB 1.124 Z: 8 8.927 1.894 0.360 0.668 0.857 0.714 N 1.309 Z: 12 7.330 1.667 0.572 0.381 0.818 0.727 CB 1.171 9 residues pruned to eliminate duplicates Z: 13 5.121 1.667 0.189 0.398 0.833 0.667 CB 0.997 13 residues pruned to eliminate duplicates Z: 7 3.851 1.377 0.708 0.419 0.833 0.500 N 0.873 Z: 14 6.000 1.537 0.460 0.332 0.846 0.385 CB 1.054 Z: 7 2.907 1.696 -0.066 0.409 0.667 0.500 O 1.235 Z: 15 9.188 1.714 0.362 0.428 0.929 0.500 CB 1.220 Z: 9 13.036 1.881 0.524 0.600 1.000 0.625 CB 1.462 9 residues pruned to eliminate duplicates Z: 6 2.881 1.649 0.658 0.703 1.000 0.600 CB 0.392 Z: 8 5.017 1.508 0.501 0.477 0.857 0.429 CB 1.000 Z: 7 6.017 1.876 0.256 0.382 1.000 0.500 CB 1.182 Z: 22 26.649 1.829 0.589 0.877 1.000 0.762 CB 1.453 22 residues pruned to eliminate duplicates Z: 13 21.646 1.808 0.743 0.869 1.000 0.833 CB 1.448 13 residues pruned to eliminate duplicates Z: 8 6.459 1.868 0.326 0.654 1.000 0.857 CB 0.854 Z: 8 4.839 1.696 0.376 0.431 0.714 0.714 CA 1.178 8 residues pruned to eliminate duplicates Z: 14 8.691 1.634 0.559 0.407 0.923 0.385 CB 1.130 13 residues pruned to eliminate duplicates Z: 12 16.450 2.053 0.306 0.921 1.000 0.818 CB 1.302 12 residues pruned to eliminate duplicates Z: 6 2.893 1.652 0.489 0.202 0.800 0.400 CB 0.937 Z: 6 9.568 1.486 0.966 0.668 1.000 1.000 N 1.253 Z: 13 12.065 1.942 0.533 0.354 1.000 0.500 CB 1.370 13 residues pruned to eliminate duplicates Z: 19 16.403 1.736 0.628 0.868 0.944 0.667 CB 1.059 19 residues pruned to eliminate duplicates Z: 9 4.678 1.425 0.322 0.365 0.875 0.375 O 1.160 Z: 15 5.088 1.617 0.136 0.402 0.714 0.357 CB 1.148 15 residues pruned to eliminate duplicates Z: 7 6.924 1.919 0.681 0.608 0.833 0.667 CB 0.950 7 residues pruned to eliminate duplicates Z: 7 3.785 1.749 0.313 0.519 0.667 0.500 CB 0.990 Z: 22 9.245 1.624 0.556 0.424 0.762 0.524 CB 1.134 24 residues pruned to eliminate duplicates Z: 11 3.369 1.637 0.323 0.279 0.700 0.300 CB 0.902 11 residues pruned to eliminate duplicates Z: 8 4.972 1.540 0.281 0.459 1.000 0.429 CB 0.994 8 residues pruned to eliminate duplicates Z: 7 12.001 1.792 0.939 0.743 0.833 0.667 CB 1.361 7 residues pruned to eliminate duplicates Z: 7 10.104 1.639 0.737 0.737 1.000 0.833 CB 1.171 Z: 11 7.663 1.777 0.121 0.536 0.900 0.700 CA 1.305 12 residues pruned to eliminate duplicates Z: 81 31.445 1.862 0.595 0.499 0.913 0.512 CB 1.298 81 residues pruned to eliminate duplicates Z: 21 9.619 1.830 0.454 0.420 0.850 0.550 CB 1.033 21 residues pruned to eliminate duplicates Z: 9 4.659 1.314 0.497 0.370 0.875 0.500 N 1.099 Z: 13 9.426 1.777 0.324 0.790 0.833 0.667 CB 1.075 13 residues pruned to eliminate duplicates Z: 13 7.837 1.769 0.451 0.444 0.917 0.750 CB 1.018 13 residues pruned to eliminate duplicates Z: 14 8.924 1.710 0.755 0.468 0.692 0.462 CB 1.230 10 residues pruned to eliminate duplicates Z: 38 17.410 1.817 0.521 0.607 0.838 0.622 CB 1.117 38 residues pruned to eliminate duplicates Z: 18 15.178 1.852 0.689 0.586 0.941 0.765 CB 1.151 18 residues pruned to eliminate duplicates Z: 8 7.444 1.639 0.981 0.599 0.714 0.429 CB 1.104 7 residues pruned to eliminate duplicates Z: 18 12.837 1.910 0.344 0.560 0.882 0.647 CB 1.296 18 residues pruned to eliminate duplicates Z: 10 8.261 2.025 0.057 0.427 1.000 0.444 CB 1.388 10 residues pruned to eliminate duplicates Z: 9 3.664 1.707 0.123 0.335 0.750 0.375 CB 1.080 7 residues pruned to eliminate duplicates Z: 21 28.211 1.894 0.880 0.928 1.000 0.900 CB 1.241 21 residues pruned to eliminate duplicates Z: 10 6.471 1.581 0.670 0.594 0.667 0.444 CB 1.120 10 residues pruned to eliminate duplicates Z: 29 11.015 1.687 0.577 0.408 0.750 0.500 CB 1.149 25 residues pruned to eliminate duplicates Z: 6 2.012 1.293 0.458 0.334 0.600 0.600 CB 0.955 6 residues pruned to eliminate duplicates Z: 19 22.511 1.940 0.404 0.917 1.000 0.944 CB 1.375 19 residues pruned to eliminate duplicates Z: 9 8.757 1.593 0.714 0.453 1.000 0.625 CB 1.190 6 residues pruned to eliminate duplicates Z: 9 3.279 1.723 0.241 0.308 0.625 0.375 CB 1.074 8 residues pruned to eliminate duplicates Z: 8 3.306 1.634 0.143 0.393 0.714 0.429 N 1.049 8 residues pruned to eliminate duplicates Z: 9 3.911 1.619 0.400 0.234 0.750 0.500 CB 1.109 Z: 26 14.902 1.770 0.693 0.445 1.000 0.600 CB 1.052 26 residues pruned to eliminate duplicates Z: 11 10.188 1.610 1.102 0.421 0.800 0.600 N 1.292 18 residues pruned to eliminate duplicates Z: 9 3.822 1.563 0.542 0.323 0.875 0.375 CB 0.779 Z: 56 16.987 1.681 0.492 0.527 0.818 0.309 CB 1.086 56 residues pruned to eliminate duplicates Z: 12 5.771 1.686 -0.005 0.527 0.818 0.182 CB 1.234 12 residues pruned to eliminate duplicates Z: 28 12.437 1.783 0.464 0.441 0.889 0.630 CB 1.096 32 residues pruned to eliminate duplicates Z: 15 9.661 1.905 0.447 0.317 0.857 0.500 CB 1.338 7 residues pruned to eliminate duplicates Z: 7 5.501 1.663 0.601 0.469 0.833 0.500 N 1.044 5 residues pruned to eliminate duplicates Z: 20 25.166 1.924 0.511 0.902 1.000 0.737 CB 1.417 20 residues pruned to eliminate duplicates Z: 10 5.966 1.634 0.352 0.585 0.889 0.667 CB 0.933 14 residues pruned to eliminate duplicates Z: 21 21.300 1.795 0.461 0.896 1.000 0.850 CB 1.301 21 residues pruned to eliminate duplicates 7 1.496 1.524 -0.089 0.237 0.500 0.333 CB 1.194 ? Z: 14 7.675 1.632 0.566 0.433 0.923 0.615 CB 0.967 14 residues pruned to eliminate duplicates Z: 10 9.759 1.685 0.986 0.755 0.889 0.667 CB 0.871 10 residues pruned to eliminate duplicates Z: 9 15.254 1.922 0.762 0.703 0.875 0.875 CB 1.513 9 residues pruned to eliminate duplicates Z: 20 14.858 1.849 0.510 0.499 0.895 0.632 CB 1.366 20 residues pruned to eliminate duplicates Z: 9 10.645 1.889 0.585 0.535 1.000 0.500 CB 1.214 9 residues pruned to eliminate duplicates Z: 16 7.605 1.630 0.423 0.239 0.867 0.400 N 1.321 12 residues pruned to eliminate duplicates Z: 12 8.993 1.782 0.298 0.579 0.909 0.818 CB 1.195 12 residues pruned to eliminate duplicates Z: 12 10.259 1.862 0.703 0.345 0.818 0.636 CB 1.411 11 residues pruned to eliminate duplicates Z: 11 7.606 1.872 0.217 0.389 1.000 0.600 CB 1.186 11 residues pruned to eliminate duplicates Z: 12 5.093 1.716 0.191 0.392 0.909 0.455 CB 0.927 9 residues pruned to eliminate duplicates Z: 14 9.825 1.779 0.246 0.506 0.923 0.769 CB 1.324 14 residues pruned to eliminate duplicates Z: 8 4.085 1.648 0.411 0.622 0.857 0.571 CB 0.690 8 residues pruned to eliminate duplicates Z: 20 22.463 1.897 0.601 0.899 1.000 0.895 CB 1.213 20 residues pruned to eliminate duplicates 6 1.716 1.802 0.195 0.869 1.000 1.000 CB 0.260 ? Z: 9 6.085 1.483 0.425 0.456 1.000 0.750 CB 1.066 8 1.808 1.482 0.214 0.256 0.714 0.286 CB 0.704 ? Z: 8 9.788 1.585 1.005 0.674 1.000 0.857 N 0.991 Z: 13 15.238 1.739 0.455 0.906 1.000 0.833 CB 1.237 12 residues pruned to eliminate duplicates Z: 21 26.312 1.903 0.468 0.915 1.000 0.850 CB 1.489 21 residues pruned to eliminate duplicates Z: 19 18.795 1.740 0.444 0.892 0.944 0.944 CB 1.341 19 residues pruned to eliminate duplicates Z: 21 9.576 1.729 0.471 0.428 0.850 0.600 CB 1.067 18 residues pruned to eliminate duplicates Z: 11 10.398 1.751 0.633 0.486 1.000 0.700 CB 1.167 11 residues pruned to eliminate duplicates Z: 7 3.769 1.570 0.344 0.354 1.000 0.500 CB 0.854 7 residues pruned to eliminate duplicates Z: 29 19.807 1.931 0.451 0.455 0.964 0.500 CB 1.451 29 residues pruned to eliminate duplicates Z: 10 9.080 1.702 0.701 0.638 0.889 0.667 CB 1.033 10 residues pruned to eliminate duplicates Z: 20 7.138 1.730 0.333 0.298 0.789 0.421 CB 1.128 20 residues pruned to eliminate duplicates Z: 7 3.742 1.406 0.601 0.344 1.000 0.500 CB 0.804 Z: 9 3.959 1.648 0.306 0.337 0.750 0.625 CB 1.036 Z: 9 5.693 1.769 0.199 0.452 0.875 0.625 CB 1.139 9 residues pruned to eliminate duplicates Z: 6 2.037 1.397 0.178 0.359 0.600 0.400 CB 1.074 Z: 15 9.517 1.670 0.339 0.443 0.929 0.500 CB 1.299 15 residues pruned to eliminate duplicates Z: 15 9.857 1.767 0.588 0.480 0.857 0.643 CB 1.117 15 residues pruned to eliminate duplicates Z: 16 6.844 1.557 0.333 0.426 0.933 0.800 N 0.985 7 residues pruned to eliminate duplicates Z: 21 17.906 1.988 0.356 0.516 0.900 0.750 CB 1.626 21 residues pruned to eliminate duplicates Z: 9 9.822 1.771 0.728 0.644 0.875 0.750 CA 1.133 Z: 6 2.540 1.720 0.739 0.562 0.600 0.600 CB 0.596 Z: 17 15.729 1.789 0.436 0.872 1.000 0.938 CB 1.115 17 residues pruned to eliminate duplicates Z: 7 3.879 1.516 0.512 0.466 0.667 0.500 CB 1.073 Z: 17 6.937 1.595 0.295 0.422 0.812 0.562 CB 1.121 17 residues pruned to eliminate duplicates Z: 10 14.018 1.969 0.192 0.903 1.000 1.000 CB 1.419 10 residues pruned to eliminate duplicates Z: 12 14.402 1.799 0.372 0.892 1.000 0.636 CB 1.263 12 residues pruned to eliminate duplicates Z: 17 7.439 1.750 0.420 0.358 0.938 0.500 CB 0.930 17 residues pruned to eliminate duplicates Z: 34 15.839 1.826 0.559 0.466 0.939 0.485 CB 1.068 36 residues pruned to eliminate duplicates Z: 18 13.136 1.881 0.292 0.569 0.882 0.706 CB 1.390 18 residues pruned to eliminate duplicates Z: 28 11.239 1.810 0.245 0.428 0.926 0.444 CB 1.117 38 residues pruned to eliminate duplicates Z: 6 2.352 1.546 0.133 0.515 0.800 0.400 N 0.740 6 residues pruned to eliminate duplicates Z: 7 2.099 1.601 0.432 0.447 0.833 0.667 CB 0.474 7 residues pruned to eliminate duplicates Z: 10 7.520 1.801 0.294 0.587 0.889 0.667 CB 1.114 10 residues pruned to eliminate duplicates Z: 12 4.625 1.658 0.365 0.567 0.909 0.636 CB 0.636 12 residues pruned to eliminate duplicates Z: 40 14.698 1.697 0.452 0.461 0.846 0.615 CB 1.175 42 residues pruned to eliminate duplicates Z: 20 14.971 1.832 0.495 0.529 0.895 0.684 CB 1.361 19 residues pruned to eliminate duplicates Z: 21 8.174 1.762 0.358 0.315 0.900 0.550 CB 1.042 21 residues pruned to eliminate duplicates Z: 10 5.002 1.445 0.643 0.409 0.778 0.333 CB 0.993 9 residues pruned to eliminate duplicates Z: 7 12.456 1.854 0.589 0.704 1.000 0.833 CB 1.433 7 residues pruned to eliminate duplicates Z: 8 4.545 1.589 0.761 0.475 0.857 0.571 CB 0.735 8 residues pruned to eliminate duplicates Z: 11 7.902 1.563 0.512 0.505 0.900 0.600 CB 1.169 10 residues pruned to eliminate duplicates Z: 13 4.560 1.659 0.298 0.470 0.750 0.667 CB 0.840 13 residues pruned to eliminate duplicates Z: 14 3.352 1.581 -0.004 0.253 0.769 0.615 CB 1.019 14 residues pruned to eliminate duplicates Z: 30 10.664 1.804 0.276 0.346 0.897 0.483 CB 1.134 30 residues pruned to eliminate duplicates Z: 6 6.847 1.667 0.629 0.650 0.800 0.800 CB 1.226 6 residues pruned to eliminate duplicates Z: 7 3.061 1.554 -0.086 0.374 0.833 0.667 O 1.208 7 residues pruned to eliminate duplicates Z: 8 6.457 1.494 0.700 0.660 0.857 0.714 CB 0.966 8 residues pruned to eliminate duplicates Z: 8 3.164 1.560 0.324 0.388 0.714 0.429 CB 0.913 Z: 12 16.296 1.652 0.744 0.856 1.000 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 6 7.032 1.684 0.514 0.723 0.800 0.800 CB 1.261 Z: 10 7.393 1.789 0.266 0.539 1.000 0.556 CB 1.048 10 residues pruned to eliminate duplicates Z: 10 7.831 1.827 0.470 0.444 0.778 0.667 CB 1.324 9 residues pruned to eliminate duplicates Z: 41 12.799 1.696 0.412 0.384 0.875 0.550 CB 1.093 41 residues pruned to eliminate duplicates Z: 30 12.871 1.761 0.415 0.506 0.862 0.586 CB 1.106 30 residues pruned to eliminate duplicates Z: 19 22.690 1.920 0.553 0.920 1.000 0.833 CB 1.263 19 residues pruned to eliminate duplicates Z: 10 7.151 1.624 0.448 0.514 0.778 0.667 CB 1.285 Z: 11 9.357 1.777 0.380 0.441 1.000 0.700 CB 1.283 11 residues pruned to eliminate duplicates Z: 6 4.869 1.587 0.397 0.496 0.800 0.600 CB 1.233 Z: 9 3.814 1.564 0.065 0.547 0.750 0.750 CB 1.030 8 residues pruned to eliminate duplicates Z: 19 16.328 1.737 0.822 0.870 0.833 0.389 CB 1.065 19 residues pruned to eliminate duplicates Z: 36 18.893 1.912 0.470 0.482 0.943 0.686 CB 1.227 36 residues pruned to eliminate duplicates Z: 13 14.844 1.918 0.688 0.425 1.000 0.750 CA 1.431 13 residues pruned to eliminate duplicates Z: 12 4.454 1.689 0.112 0.432 0.818 0.455 CB 0.938 12 residues pruned to eliminate duplicates Z: 8 4.680 1.673 0.645 0.383 0.857 0.429 CB 0.849 6 residues pruned to eliminate duplicates Z: 22 13.417 1.853 0.529 0.445 0.905 0.524 CB 1.208 22 residues pruned to eliminate duplicates Z: 17 6.493 1.505 0.522 0.336 0.812 0.625 CB 1.043 10 residues pruned to eliminate duplicates Z: 6 2.436 1.466 0.670 0.343 0.600 0.600 CB 0.879 Z: 19 10.414 1.654 0.603 0.613 0.889 0.667 CB 0.936 18 residues pruned to eliminate duplicates Z: 7 4.480 1.490 0.478 0.481 0.833 0.333 O 1.016 Z: 8 5.529 1.508 0.570 0.346 0.857 0.714 N 1.217 Z: 12 7.174 1.668 0.419 0.628 0.818 0.364 CB 0.990 12 residues pruned to eliminate duplicates Z: 24 13.831 1.845 0.541 0.454 0.870 0.522 CB 1.223 21 residues pruned to eliminate duplicates Z: 16 8.814 1.743 0.468 0.360 0.867 0.600 CB 1.193 16 residues pruned to eliminate duplicates Z: 9 4.208 1.427 0.553 0.383 0.750 0.375 CB 1.014 9 residues pruned to eliminate duplicates Z: 8 7.470 1.757 0.681 0.503 0.857 0.714 CB 1.112 8 residues pruned to eliminate duplicates Z: 6 4.456 1.596 0.180 0.580 0.800 0.600 N 1.225 Z: 7 3.323 1.701 -0.126 0.386 0.833 0.500 CB 1.236 Z: 36 18.470 1.893 0.439 0.377 0.943 0.486 CB 1.386 36 residues pruned to eliminate duplicates Z: 8 6.306 1.558 0.801 0.594 0.714 0.714 N 1.087 8 residues pruned to eliminate duplicates Z: 6 4.954 1.553 0.134 0.608 1.000 0.800 O 1.136 Z: 21 26.511 1.896 0.515 0.875 1.000 0.800 CB 1.501 21 residues pruned to eliminate duplicates Z: 7 2.808 1.385 0.574 0.240 0.667 0.500 O 1.065 Z: 8 3.954 1.650 0.557 0.625 0.857 0.571 CB 0.604 Z: 9 4.937 1.561 0.435 0.490 0.875 0.625 CB 0.900 9 residues pruned to eliminate duplicates Z: 8 3.207 1.461 0.379 0.353 0.857 0.429 N 0.823 Z: 12 11.654 1.705 0.266 0.850 0.909 0.545 CB 1.326 12 residues pruned to eliminate duplicates Z: 9 7.451 1.724 0.527 0.286 1.000 0.125 N 1.273 Z: 17 6.023 1.737 0.060 0.403 0.812 0.625 CB 1.115 17 residues pruned to eliminate duplicates Z: 8 4.093 1.645 0.407 0.388 0.857 0.571 N 0.878 8 residues pruned to eliminate duplicates Z: 7 5.178 1.663 0.359 0.453 0.833 0.667 CB 1.177 Z: 23 15.351 1.685 0.724 0.566 0.955 0.682 CB 1.108 23 residues pruned to eliminate duplicates Z: 12 4.573 1.478 0.392 0.284 0.727 0.455 O 1.174 Z: 6 5.203 1.889 0.029 0.480 0.800 0.200 CB 1.528 9 residues pruned to eliminate duplicates Z: 17 9.642 1.729 0.396 0.370 0.812 0.375 CB 1.413 17 residues pruned to eliminate duplicates Z: 17 8.892 1.731 0.608 0.422 0.812 0.625 CB 1.066 17 residues pruned to eliminate duplicates Z: 24 9.275 1.784 0.281 0.334 1.000 0.478 CB 1.016 24 residues pruned to eliminate duplicates Z: 9 3.967 1.478 0.062 0.412 0.875 0.750 CB 1.120 9 residues pruned to eliminate duplicates Z: 12 6.857 1.659 0.323 0.514 0.818 0.364 CB 1.135 12 residues pruned to eliminate duplicates Z: 14 9.557 1.804 0.360 0.420 0.923 0.538 CB 1.273 14 residues pruned to eliminate duplicates Z: 15 8.702 1.701 0.231 0.455 0.857 0.500 CB 1.357 15 residues pruned to eliminate duplicates Z: 12 2.947 1.549 0.260 0.222 0.636 0.273 N 0.991 12 residues pruned to eliminate duplicates Z: 9 5.936 1.534 0.437 0.509 0.875 0.750 CB 1.079 9 residues pruned to eliminate duplicates Z: 25 12.794 1.793 0.342 0.447 0.833 0.417 CB 1.376 25 residues pruned to eliminate duplicates Z: 8 2.422 1.496 0.262 0.380 0.714 0.286 CB 0.771 Z: 6 3.478 1.557 0.211 0.474 0.800 0.600 CB 1.058 Z: 8 8.538 1.606 0.519 0.756 1.000 0.571 CB 1.053 8 residues pruned to eliminate duplicates Z: 21 12.027 1.791 0.356 0.477 0.900 0.600 CB 1.260 21 residues pruned to eliminate duplicates Z: 6 2.489 1.302 0.541 0.338 1.000 0.600 CB 0.662 Z: 7 2.003 1.406 0.297 0.282 0.667 0.167 CB 0.861 Z: 6 2.884 1.558 0.021 0.515 0.800 0.600 CB 0.999 Z: 16 8.152 1.770 0.216 0.446 0.867 0.533 CB 1.194 16 residues pruned to eliminate duplicates Z: 56 30.739 1.846 0.452 0.665 0.964 0.673 CB 1.377 56 residues pruned to eliminate duplicates Z: 11 14.993 1.803 0.503 0.831 1.000 0.600 CB 1.314 11 residues pruned to eliminate duplicates Z: 9 2.391 1.213 0.769 0.185 0.625 0.625 C 0.920 Z: 6 4.024 1.569 0.042 0.633 1.000 0.800 CB 0.972 6 residues pruned to eliminate duplicates Z: 6 3.431 1.496 0.678 0.507 0.800 0.800 CB 0.759 Z: 29 19.076 1.731 0.722 0.717 0.929 0.643 CB 1.070 29 residues pruned to eliminate duplicates Z: 16 9.257 1.793 0.211 0.398 0.933 0.467 CB 1.314 16 residues pruned to eliminate duplicates Z: 12 18.599 1.720 0.553 0.919 1.000 0.818 CA 1.479 12 residues pruned to eliminate duplicates Z: 14 4.916 1.609 0.164 0.286 0.846 0.385 CB 1.095 Z: 14 8.548 1.697 0.457 0.311 0.923 0.385 CB 1.280 14 residues pruned to eliminate duplicates Z: 6 2.168 1.348 0.652 0.225 0.800 0.400 N 0.751 Z: 8 5.189 1.474 0.330 0.432 1.000 0.429 N 1.074 8 residues pruned to eliminate duplicates Z: 18 12.206 1.733 0.530 0.451 0.941 0.588 CB 1.247 18 residues pruned to eliminate duplicates Z: 26 10.219 1.734 0.279 0.377 0.880 0.560 CB 1.193 26 residues pruned to eliminate duplicates 6 1.175 1.381 0.634 0.449 0.800 0.600 CB 0.307 ? Z: 10 13.289 1.826 0.828 0.695 0.889 0.778 CB 1.249 11 residues pruned to eliminate duplicates Z: 11 5.177 1.705 0.085 0.462 0.900 0.400 CB 1.022 Z: 11 8.758 1.962 0.408 0.394 0.800 0.300 CB 1.402 11 residues pruned to eliminate duplicates Z: 13 11.087 1.764 0.519 0.565 0.917 0.667 CB 1.224 16 residues pruned to eliminate duplicates Z: 12 4.091 1.734 0.184 0.550 0.727 0.545 CB 0.787 10 residues pruned to eliminate duplicates Z: 9 8.946 1.699 0.356 0.651 1.000 0.500 CB 1.193 Z: 27 8.390 1.670 0.207 0.360 0.885 0.538 CB 1.073 27 residues pruned to eliminate duplicates Z: 17 9.844 1.777 0.317 0.610 0.875 0.625 CB 1.083 17 residues pruned to eliminate duplicates Z: 6 6.544 1.645 0.482 0.715 0.800 0.600 CA 1.234 7 residues pruned to eliminate duplicates Z: 10 4.699 1.498 0.485 0.360 0.778 0.556 CB 1.053 Z: 29 11.377 1.674 0.575 0.323 0.893 0.500 CB 1.109 29 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 12 5.329 1.860 0.141 0.398 0.818 0.727 CB 1.031 12 residues pruned to eliminate duplicates Z: 11 5.213 1.845 0.005 0.406 0.800 0.600 CB 1.226 11 residues pruned to eliminate duplicates Z: 11 3.766 1.833 0.090 0.349 0.800 0.500 CB 0.877 11 residues pruned to eliminate duplicates Z: 13 5.531 1.688 0.292 0.383 0.833 0.500 CB 0.995 12 residues pruned to eliminate duplicates Z: 6 4.147 1.585 0.391 0.452 0.800 0.400 N 1.104 6 residues pruned to eliminate duplicates Z: 14 6.217 1.721 0.179 0.360 0.846 0.462 CB 1.168 14 residues pruned to eliminate duplicates Z: 14 5.862 1.661 0.209 0.290 0.846 0.385 CB 1.210 14 residues pruned to eliminate duplicates Z: 17 6.720 1.591 0.337 0.323 0.938 0.562 CB 1.025 17 residues pruned to eliminate duplicates Z: 14 8.875 1.727 0.400 0.337 0.923 0.538 CB 1.317 14 residues pruned to eliminate duplicates Z: 13 8.423 1.794 0.259 0.333 1.000 0.583 CB 1.293 13 residues pruned to eliminate duplicates Z: 14 7.669 1.710 0.196 0.370 0.923 0.692 CB 1.294 14 residues pruned to eliminate duplicates Z: 17 7.534 1.603 0.484 0.313 0.875 0.500 CB 1.114 17 residues pruned to eliminate duplicates Z: 13 11.070 1.762 0.467 0.466 1.000 0.583 CB 1.280 13 residues pruned to eliminate duplicates Z: 7 3.181 1.360 0.512 0.308 0.667 0.167 O 1.172 7 residues pruned to eliminate duplicates Z: 34 13.569 1.787 0.494 0.446 0.909 0.667 CB 1.029 34 residues pruned to eliminate duplicates Z: 24 11.790 1.805 0.498 0.486 0.870 0.652 CB 1.060 24 residues pruned to eliminate duplicates Z: 9 8.781 1.905 0.629 0.499 0.875 0.750 CB 1.144 9 residues pruned to eliminate duplicates Z: 33 16.093 1.788 0.531 0.454 0.906 0.656 CB 1.202 40 residues pruned to eliminate duplicates Z: 6 3.552 1.306 0.398 0.439 1.000 1.000 CA 0.926 6 residues pruned to eliminate duplicates Z: 21 12.398 1.706 0.593 0.552 0.900 0.700 CB 1.077 21 residues pruned to eliminate duplicates Z: 6 5.216 1.497 0.608 0.418 1.000 0.800 N 1.055 6 residues pruned to eliminate duplicates Z: 17 14.349 1.871 0.581 0.571 0.875 0.688 CB 1.294 17 residues pruned to eliminate duplicates Z: 9 15.547 1.889 0.675 0.662 1.000 0.500 CB 1.496 9 residues pruned to eliminate duplicates Z: 26 12.418 1.903 0.378 0.411 0.840 0.480 CB 1.237 26 residues pruned to eliminate duplicates Z: 13 8.007 1.821 0.458 0.583 0.833 0.583 CB 0.965 13 residues pruned to eliminate duplicates Z: 28 14.941 1.891 0.562 0.508 0.852 0.593 CB 1.134 62 residues pruned to eliminate duplicates Z: 6 5.443 1.590 0.628 0.247 1.000 0.400 CB 1.259 Z: 10 6.976 1.292 0.813 0.596 0.889 0.222 N 1.019 16 residues pruned to eliminate duplicates Z: 12 9.114 1.942 0.288 0.530 0.818 0.455 CB 1.304 12 residues pruned to eliminate duplicates Z: 12 8.375 1.979 0.198 0.416 0.909 0.455 CB 1.279 12 residues pruned to eliminate duplicates Z: 12 9.140 1.934 0.285 0.463 0.909 0.455 CB 1.267 12 residues pruned to eliminate duplicates Z: 16 7.224 1.890 0.099 0.310 0.867 0.333 CB 1.279 16 residues pruned to eliminate duplicates Z: 11 11.749 2.024 0.369 0.489 0.900 0.500 CB 1.507 15 residues pruned to eliminate duplicates Z: 7 4.174 1.454 0.397 0.362 0.833 0.500 CB 1.167 7 residues pruned to eliminate duplicates Z: 22 13.087 1.770 0.568 0.386 0.857 0.524 CB 1.355 22 residues pruned to eliminate duplicates Z: 22 15.071 1.818 0.507 0.518 0.952 0.667 CB 1.238 22 residues pruned to eliminate duplicates Z: 22 14.026 1.849 0.449 0.488 0.905 0.619 CB 1.277 22 residues pruned to eliminate duplicates Z: 18 14.993 1.903 0.613 0.537 0.941 0.647 CB 1.213 18 residues pruned to eliminate duplicates Z: 31 14.515 1.789 0.529 0.398 0.933 0.500 CB 1.156 60 residues pruned to eliminate duplicates Z: 20 17.921 1.858 0.636 0.493 1.000 0.579 CB 1.362 Z: 6 2.993 1.438 0.860 0.228 0.800 0.400 CB 0.859 4 residues pruned to eliminate duplicates Z: 6 3.051 1.322 0.323 0.430 1.000 1.000 CB 0.839 Z: 6 4.819 1.380 0.558 0.465 1.000 0.600 N 1.038 Z: 6 2.264 1.587 0.479 0.187 0.800 0.400 CB 0.785 6 residues pruned to eliminate duplicates Z: 12 8.118 1.648 0.451 0.330 0.909 0.455 O 1.356 10 residues pruned to eliminate duplicates Z: 6 5.539 1.852 0.439 0.371 0.800 0.600 N 1.335 6 residues pruned to eliminate duplicates Z: 9 6.736 1.843 0.326 0.427 0.750 0.500 CB 1.402 11 residues pruned to eliminate duplicates Z: 7 6.617 1.422 0.821 0.439 1.000 0.500 CA 1.111 Z: 9 4.706 1.321 0.665 0.462 0.875 0.625 CB 0.898 5 residues pruned to eliminate duplicates Z: 6 2.587 1.484 0.914 0.184 0.600 0.200 N 0.993 6 residues pruned to eliminate duplicates Z: 28 15.737 1.823 0.578 0.444 0.926 0.630 CB 1.204 26 residues pruned to eliminate duplicates Z: 6 2.491 1.448 1.262 0.227 0.600 0.200 N 0.780 6 residues pruned to eliminate duplicates Z: 27 18.875 1.842 0.749 0.422 0.962 0.423 CB 1.296 27 residues pruned to eliminate duplicates Z: 25 19.177 1.904 0.534 0.539 1.000 0.667 CB 1.289 26 residues pruned to eliminate duplicates Z: 6 3.506 1.415 0.393 0.421 1.000 0.200 N 0.864 6 residues pruned to eliminate duplicates Z: 25 12.668 1.816 0.416 0.383 0.875 0.542 CB 1.301 25 residues pruned to eliminate duplicates Z: 23 12.590 1.854 0.363 0.395 0.909 0.773 CB 1.306 23 residues pruned to eliminate duplicates Z: 12 5.664 1.670 0.000 0.396 0.909 0.636 CB 1.255 12 residues pruned to eliminate duplicates Z: 22 14.571 1.892 0.424 0.469 0.952 0.667 CB 1.278 22 residues pruned to eliminate duplicates Z: 27 15.492 1.818 0.626 0.415 0.885 0.654 CB 1.269 27 residues pruned to eliminate duplicates Z: 26 12.031 1.788 0.330 0.387 0.920 0.560 CB 1.241 26 residues pruned to eliminate duplicates Z: 20 10.521 1.824 0.207 0.447 0.947 0.789 CB 1.222 20 residues pruned to eliminate duplicates Z: 21 14.718 1.947 0.460 0.426 0.900 0.700 CB 1.390 21 residues pruned to eliminate duplicates Z: 24 12.481 1.806 0.476 0.443 0.870 0.609 CB 1.190 24 residues pruned to eliminate duplicates Z: 21 12.370 1.882 0.494 0.343 0.900 0.550 CB 1.297 21 residues pruned to eliminate duplicates Z: 12 9.275 1.918 0.480 0.293 0.818 0.636 CB 1.519 12 residues pruned to eliminate duplicates Z: 23 16.833 1.891 0.639 0.371 0.955 0.409 CB 1.393 23 residues pruned to eliminate duplicates Z: 23 14.431 1.883 0.380 0.389 0.909 0.455 CB 1.465 23 residues pruned to eliminate duplicates Z: 24 10.164 1.792 0.312 0.346 0.870 0.435 CB 1.225 24 residues pruned to eliminate duplicates Z: 51 34.239 1.931 0.644 0.599 0.940 0.680 CB 1.477 51 residues pruned to eliminate duplicates Z: 50 30.926 1.918 0.677 0.556 0.939 0.633 CB 1.385 50 residues pruned to eliminate duplicates Z: 40 20.312 1.845 0.474 0.445 0.949 0.590 CB 1.334 40 residues pruned to eliminate duplicates Z: 36 17.412 1.878 0.445 0.375 0.886 0.457 CB 1.400 36 residues pruned to eliminate duplicates Z: 18 11.663 1.803 0.440 0.424 0.882 0.471 CB 1.336 18 residues pruned to eliminate duplicates Z: 22 12.087 1.871 0.497 0.305 0.857 0.524 CB 1.365 22 residues pruned to eliminate duplicates Z: 38 17.703 1.843 0.466 0.374 0.919 0.541 CB 1.342 38 residues pruned to eliminate duplicates Z: 19 14.878 1.969 0.545 0.448 0.889 0.556 CB 1.367 19 residues pruned to eliminate duplicates Z: 48 28.989 1.924 0.518 0.577 1.000 0.681 CB 1.344 48 residues pruned to eliminate duplicates Z: 37 17.317 1.896 0.423 0.395 0.889 0.556 CB 1.345 37 residues pruned to eliminate duplicates Z: 35 18.690 1.893 0.526 0.407 0.941 0.500 CB 1.300 35 residues pruned to eliminate duplicates Z: 30 18.412 1.853 0.664 0.457 0.897 0.621 CB 1.293 30 residues pruned to eliminate duplicates Z: 34 30.829 1.964 0.612 0.703 1.000 0.727 CB 1.409 34 residues pruned to eliminate duplicates Z: 37 26.877 1.916 0.601 0.595 0.944 0.722 CB 1.413 37 residues pruned to eliminate duplicates Z: 22 22.304 1.869 0.730 0.681 0.952 0.762 CB 1.338 22 residues pruned to eliminate duplicates Z: 48 29.384 1.904 0.680 0.553 0.915 0.638 CB 1.391 48 residues pruned to eliminate duplicates Z: 34 29.406 1.970 0.694 0.631 0.970 0.697 CB 1.399 34 residues pruned to eliminate duplicates Z: 24 29.084 1.874 0.923 0.686 0.957 0.696 CB 1.483 24 residues pruned to eliminate duplicates Z: 34 32.555 1.985 0.796 0.655 0.939 0.727 CB 1.465 34 residues pruned to eliminate duplicates Z: 50 36.081 1.948 0.718 0.614 0.959 0.653 CB 1.442 54 residues pruned to eliminate duplicates Z: 20 28.770 1.879 1.005 0.818 0.947 0.895 CB 1.403 20 residues pruned to eliminate duplicates Z: 50 30.690 1.916 0.655 0.566 0.939 0.612 CB 1.382 50 residues pruned to eliminate duplicates Z: 51 32.553 1.898 0.728 0.580 0.940 0.640 CB 1.383 51 residues pruned to eliminate duplicates Z: 48 29.580 1.923 0.742 0.554 0.872 0.681 CB 1.402 48 residues pruned to eliminate duplicates Z: 35 31.036 1.929 0.722 0.670 0.971 0.618 CB 1.411 35 residues pruned to eliminate duplicates Z: 53 31.725 1.898 0.714 0.517 0.942 0.481 CB 1.411 53 residues pruned to eliminate duplicates Z: 31 30.209 1.895 0.788 0.698 0.933 0.667 CB 1.456 31 residues pruned to eliminate duplicates Z: 41 31.080 1.927 0.747 0.619 0.975 0.650 CB 1.338 41 residues pruned to eliminate duplicates Z: 34 32.166 1.952 0.779 0.679 0.970 0.758 CB 1.411 34 residues pruned to eliminate duplicates Z: 38 31.736 1.910 0.712 0.663 0.946 0.730 CB 1.451 38 residues pruned to eliminate duplicates Z: 95 29.630 1.839 0.477 0.479 0.904 0.489 CB 1.271 98 residues pruned to eliminate duplicates Z: 22 29.851 1.915 0.937 0.863 0.952 0.571 CB 1.352 22 residues pruned to eliminate duplicates Z: 74 31.486 1.853 0.603 0.577 0.932 0.644 CB 1.236 74 residues pruned to eliminate duplicates Z: 16 13.511 1.859 0.248 0.699 0.933 0.733 CB 1.344 16 residues pruned to eliminate duplicates Z: 56 31.226 1.883 0.639 0.579 0.927 0.618 CB 1.363 56 residues pruned to eliminate duplicates Z: 14 9.585 1.815 0.134 0.709 1.000 0.769 CB 1.069 14 residues pruned to eliminate duplicates Z: 75 33.485 1.885 0.534 0.577 0.959 0.568 CB 1.302 75 residues pruned to eliminate duplicates Z: 20 12.606 1.863 0.304 0.566 0.947 0.579 CB 1.179 20 residues pruned to eliminate duplicates Z: 20 13.169 1.857 0.429 0.654 0.842 0.737 CB 1.172 20 residues pruned to eliminate duplicates Z: 32 15.057 1.852 0.319 0.474 0.903 0.581 CB 1.258 32 residues pruned to eliminate duplicates Z: 60 35.917 1.939 0.633 0.634 0.949 0.644 CB 1.372 60 residues pruned to eliminate duplicates Z: 36 20.048 1.771 0.621 0.595 0.886 0.543 CB 1.217 36 residues pruned to eliminate duplicates Z: 39 22.276 1.905 0.508 0.529 0.921 0.658 CB 1.328 39 residues pruned to eliminate duplicates Z: 13 17.565 2.045 0.266 0.834 1.000 0.750 CB 1.469 13 residues pruned to eliminate duplicates Z: 73 34.196 1.911 0.555 0.573 0.903 0.667 CB 1.401 73 residues pruned to eliminate duplicates Z: 21 13.383 1.937 0.391 0.575 0.850 0.550 CB 1.216 21 residues pruned to eliminate duplicates Z: 28 10.345 1.743 0.494 0.364 0.778 0.370 CB 1.138 28 residues pruned to eliminate duplicates Z: 21 16.643 1.928 0.372 0.648 0.950 0.600 CB 1.289 21 residues pruned to eliminate duplicates Z: 70 31.910 1.926 0.544 0.596 0.928 0.609 CB 1.271 70 residues pruned to eliminate duplicates Z: 28 12.855 1.825 0.547 0.482 0.852 0.333 CB 1.048 28 residues pruned to eliminate duplicates Z: 41 17.792 1.819 0.424 0.441 0.950 0.550 CB 1.215 41 residues pruned to eliminate duplicates Z: 89 37.855 1.915 0.572 0.557 0.932 0.648 CB 1.360 89 residues pruned to eliminate duplicates Z: 27 12.100 1.717 0.479 0.373 0.885 0.423 CB 1.210 22 residues pruned to eliminate duplicates Z: 9 5.069 1.483 0.171 0.473 0.875 0.250 CB 1.212 9 residues pruned to eliminate duplicates Z: 37 17.478 1.887 0.445 0.507 0.861 0.611 CB 1.232 37 residues pruned to eliminate duplicates Z: 40 18.644 1.874 0.471 0.463 0.846 0.487 CB 1.329 40 residues pruned to eliminate duplicates Z: 86 31.801 1.917 0.534 0.539 0.859 0.565 CB 1.314 86 residues pruned to eliminate duplicates Z: 85 29.556 1.884 0.556 0.475 0.857 0.560 CB 1.317 85 residues pruned to eliminate duplicates Z: 40 17.952 1.878 0.381 0.507 0.846 0.487 CB 1.301 40 residues pruned to eliminate duplicates Z: 40 22.823 1.890 0.516 0.534 0.949 0.538 CB 1.300 45 residues pruned to eliminate duplicates Z: 6 5.924 1.454 0.968 0.415 1.000 0.800 O 1.011 6 residues pruned to eliminate duplicates Z: 10 15.659 1.940 0.753 0.743 0.889 0.889 N 1.390 11 residues pruned to eliminate duplicates Z: 7 7.611 1.878 0.449 0.569 0.833 0.833 N 1.282 7 residues pruned to eliminate duplicates Z: 11 14.922 1.872 0.774 0.648 0.900 0.700 CB 1.375 10 residues pruned to eliminate duplicates Z: 7 5.323 1.448 0.675 0.622 0.833 0.667 N 0.958 7 residues pruned to eliminate duplicates Z: 37 16.376 1.833 0.660 0.486 0.750 0.444 CB 1.213 37 residues pruned to eliminate duplicates Z: 90 38.059 1.915 0.625 0.540 0.899 0.584 CB 1.387 90 residues pruned to eliminate duplicates Z: 38 22.425 1.939 0.541 0.556 0.892 0.568 CB 1.310 39 residues pruned to eliminate duplicates Z: 6 5.673 1.664 0.456 0.386 1.000 0.600 CA 1.182 6 residues pruned to eliminate duplicates Z: 30 13.378 1.823 0.472 0.411 0.897 0.448 CB 1.134 30 residues pruned to eliminate duplicates Z: 24 18.367 1.935 0.871 0.440 0.913 0.565 CB 1.231 23 residues pruned to eliminate duplicates Z: 7 3.951 1.212 0.920 0.463 0.833 0.667 N 0.864 7 residues pruned to eliminate duplicates Z: 27 13.297 1.808 0.667 0.298 0.808 0.423 CB 1.342 27 residues pruned to eliminate duplicates Z: 24 14.704 1.919 0.536 0.400 0.913 0.609 CB 1.266 24 residues pruned to eliminate duplicates Z: 24 14.971 1.843 0.839 0.408 0.870 0.478 CB 1.167 24 residues pruned to eliminate duplicates Z: 44 27.633 1.963 0.419 0.581 0.930 0.721 CB 1.505 44 residues pruned to eliminate duplicates Z: 22 14.205 1.888 0.638 0.407 0.952 0.619 CB 1.161 22 residues pruned to eliminate duplicates Z: 22 15.480 1.921 0.660 0.414 0.905 0.571 CB 1.281 22 residues pruned to eliminate duplicates Z: 28 12.629 1.834 0.522 0.323 0.815 0.481 CB 1.299 28 residues pruned to eliminate duplicates Z: 15 13.175 1.946 0.495 0.461 0.929 0.714 CB 1.356 15 residues pruned to eliminate duplicates Z: 23 14.721 1.931 0.654 0.391 0.909 0.636 CB 1.214 23 residues pruned to eliminate duplicates Z: 21 14.573 1.959 0.571 0.461 0.900 0.550 CB 1.224 21 residues pruned to eliminate duplicates Z: 28 16.930 1.861 0.681 0.428 0.926 0.704 CB 1.212 28 residues pruned to eliminate duplicates Z: 52 28.032 1.931 0.503 0.558 0.922 0.824 CB 1.386 52 residues pruned to eliminate duplicates Z: 22 17.921 1.945 0.788 0.427 0.905 0.619 CB 1.341 22 residues pruned to eliminate duplicates Z: 20 15.134 1.923 0.741 0.420 0.947 0.684 CB 1.189 20 residues pruned to eliminate duplicates Z: 32 18.027 1.903 0.455 0.428 0.935 0.645 CB 1.346 32 residues pruned to eliminate duplicates Z: 46 31.326 1.951 0.605 0.548 0.978 0.689 CB 1.455 46 residues pruned to eliminate duplicates Z: 51 31.548 1.966 0.556 0.598 0.940 0.660 CB 1.413 51 residues pruned to eliminate duplicates Z: 14 14.776 1.976 0.388 0.465 1.000 0.692 CB 1.549 14 residues pruned to eliminate duplicates Z: 33 32.834 1.951 0.588 0.751 0.969 0.844 CB 1.547 33 residues pruned to eliminate duplicates Z: 30 25.330 1.896 0.490 0.628 0.966 0.724 CB 1.529 30 residues pruned to eliminate duplicates Z: 29 25.354 1.874 0.591 0.614 0.964 0.643 CB 1.496 29 residues pruned to eliminate duplicates Z: 34 21.456 1.943 0.549 0.455 1.000 0.636 CB 1.299 34 residues pruned to eliminate duplicates Z: 53 35.612 1.966 0.670 0.594 0.981 0.692 CB 1.402 53 residues pruned to eliminate duplicates Z: 27 23.748 1.947 0.654 0.608 0.846 0.731 CB 1.543 27 residues pruned to eliminate duplicates Z: 32 31.723 2.003 0.504 0.775 0.935 0.839 CB 1.586 32 residues pruned to eliminate duplicates Z: 53 31.737 1.966 0.559 0.618 0.942 0.731 CB 1.363 53 residues pruned to eliminate duplicates Z: 52 32.981 1.951 0.626 0.592 0.941 0.706 CB 1.417 52 residues pruned to eliminate duplicates Z: 26 25.688 1.970 0.505 0.654 0.920 0.840 CB 1.631 26 residues pruned to eliminate duplicates Z: 26 24.660 1.967 0.526 0.605 0.920 0.720 CB 1.616 26 residues pruned to eliminate duplicates Z: 21 24.110 1.996 0.672 0.557 0.950 0.600 CB 1.608 21 residues pruned to eliminate duplicates Z: 51 35.291 1.962 0.599 0.621 1.000 0.780 CB 1.418 51 residues pruned to eliminate duplicates Z: 54 31.078 1.959 0.494 0.592 0.943 0.811 CB 1.417 54 residues pruned to eliminate duplicates Z: 54 33.065 1.937 0.575 0.548 1.000 0.585 CB 1.421 54 residues pruned to eliminate duplicates Z: 44 36.765 1.991 0.686 0.634 0.930 0.767 CB 1.583 44 residues pruned to eliminate duplicates Z: 32 29.219 1.955 0.631 0.722 0.903 0.839 CB 1.491 32 residues pruned to eliminate duplicates Z: 36 32.839 1.938 0.768 0.680 0.914 0.629 CB 1.502 36 residues pruned to eliminate duplicates Z: 34 36.797 1.960 0.839 0.744 0.970 0.758 CB 1.474 35 residues pruned to eliminate duplicates Z: 21 30.772 1.900 0.947 0.894 0.950 0.800 CB 1.404 21 residues pruned to eliminate duplicates Z: 17 31.434 1.978 0.982 0.950 1.000 1.000 CB 1.382 17 residues pruned to eliminate duplicates Z: 31 39.258 1.992 0.789 0.769 1.000 0.833 CB 1.586 31 residues pruned to eliminate duplicates Z: 35 29.808 1.924 0.585 0.702 0.941 0.706 CB 1.483 35 residues pruned to eliminate duplicates Z: 32 36.977 1.976 0.699 0.781 1.000 0.774 CB 1.543 32 residues pruned to eliminate duplicates Z: 32 34.722 1.982 0.723 0.699 0.968 0.742 CB 1.574 33 residues pruned to eliminate duplicates Z: 20 34.509 1.993 0.831 0.951 1.000 0.895 CB 1.495 20 residues pruned to eliminate duplicates Z: 33 33.890 2.001 0.583 0.733 1.000 0.750 CB 1.534 33 residues pruned to eliminate duplicates Z: 36 33.796 1.941 0.583 0.739 0.971 0.771 CB 1.545 36 residues pruned to eliminate duplicates Z: 59 32.670 1.897 0.469 0.605 0.966 0.655 CB 1.443 56 residues pruned to eliminate duplicates Z: 25 28.056 1.858 0.645 0.788 1.000 0.750 CB 1.455 25 residues pruned to eliminate duplicates Z: 40 30.504 1.875 0.601 0.633 0.974 0.744 CB 1.474 40 residues pruned to eliminate duplicates Z: 37 27.001 1.836 0.659 0.613 0.917 0.639 CB 1.448 37 residues pruned to eliminate duplicates Z: 91 40.047 1.915 0.531 0.598 0.944 0.689 CB 1.389 95 residues pruned to eliminate duplicates Z: 13 14.590 1.654 0.356 0.831 1.000 0.917 CB 1.411 13 residues pruned to eliminate duplicates Z: 25 13.629 1.822 0.274 0.543 0.875 0.458 CB 1.313 25 residues pruned to eliminate duplicates Z: 23 14.918 1.840 0.408 0.562 0.909 0.545 CB 1.271 23 residues pruned to eliminate duplicates Z: 62 31.902 1.902 0.551 0.484 0.967 0.623 CB 1.454 62 residues pruned to eliminate duplicates Z: 21 15.517 1.869 0.367 0.603 0.900 0.650 CB 1.368 21 residues pruned to eliminate duplicates Z: 33 15.353 1.772 0.434 0.508 0.875 0.531 CB 1.212 33 residues pruned to eliminate duplicates Z: 72 30.429 1.903 0.548 0.535 0.873 0.676 CB 1.355 72 residues pruned to eliminate duplicates Z: 22 16.647 1.860 0.385 0.591 0.952 0.667 CB 1.358 22 residues pruned to eliminate duplicates Z: 39 19.880 1.787 0.525 0.562 0.921 0.579 CB 1.210 39 residues pruned to eliminate duplicates Z: 17 20.431 1.837 0.723 0.755 0.938 0.625 CB 1.372 17 residues pruned to eliminate duplicates Z: 23 12.511 1.835 0.369 0.505 0.818 0.545 CB 1.291 23 residues pruned to eliminate duplicates Z: 23 11.627 1.826 0.556 0.500 0.773 0.455 CB 1.130 23 residues pruned to eliminate duplicates Z: 21 17.776 1.906 0.405 0.611 0.950 0.700 CB 1.406 21 residues pruned to eliminate duplicates Z: 22 12.926 1.869 0.482 0.463 0.857 0.429 CB 1.235 22 residues pruned to eliminate duplicates Z: 24 14.469 1.845 0.305 0.547 0.870 0.652 CB 1.375 24 residues pruned to eliminate duplicates Z: 23 15.128 1.852 0.373 0.546 0.864 0.500 CB 1.404 23 residues pruned to eliminate duplicates Z: 62 30.484 1.893 0.502 0.601 0.885 0.639 CB 1.410 62 residues pruned to eliminate duplicates Z: 24 18.283 1.839 0.466 0.570 0.913 0.522 CB 1.447 24 residues pruned to eliminate duplicates Z: 13 9.267 1.792 0.767 0.494 0.750 0.333 CB 1.134 13 residues pruned to eliminate duplicates Z: 15 7.508 1.787 0.258 0.417 0.929 0.357 CB 1.049 15 residues pruned to eliminate duplicates Z: 13 8.129 1.761 0.885 0.451 0.750 0.333 CB 0.990 13 residues pruned to eliminate duplicates Z: 23 8.300 1.620 0.497 0.363 0.818 0.455 CB 1.034 23 residues pruned to eliminate duplicates Z: 11 7.015 1.684 0.582 0.379 0.900 0.600 CB 1.052 11 residues pruned to eliminate duplicates Z: 29 20.309 1.850 0.825 0.496 0.929 0.500 CB 1.229 29 residues pruned to eliminate duplicates Z: 20 10.800 1.725 0.602 0.435 0.842 0.579 CB 1.138 20 residues pruned to eliminate duplicates Z: 12 14.244 1.821 0.538 0.648 1.000 0.818 CB 1.337 12 residues pruned to eliminate duplicates Z: 25 12.503 1.830 0.491 0.401 0.917 0.500 CB 1.132 25 residues pruned to eliminate duplicates Z: 18 11.758 1.765 0.578 0.474 0.824 0.706 CB 1.276 18 residues pruned to eliminate duplicates Z: 12 11.944 1.830 0.657 0.674 0.818 0.727 CB 1.236 12 residues pruned to eliminate duplicates Z: 14 16.554 1.841 0.844 0.621 0.923 0.615 CB 1.306 14 residues pruned to eliminate duplicates Z: 13 13.394 1.650 0.782 0.599 0.917 0.417 CB 1.305 13 residues pruned to eliminate duplicates Z: 10 9.341 1.805 0.670 0.590 0.778 0.444 CB 1.218 10 residues pruned to eliminate duplicates Z: 32 12.719 1.745 0.587 0.299 0.839 0.452 CB 1.231 32 residues pruned to eliminate duplicates 6 1.879 1.144 0.579 0.340 0.800 0.400 N 0.692 ? Z: 11 8.831 1.650 0.356 0.444 1.000 0.600 CB 1.323 11 residues pruned to eliminate duplicates Z: 7 3.084 1.438 0.911 0.515 0.667 0.167 CB 0.677 6 residues pruned to eliminate duplicates Z: 6 2.931 1.314 0.356 0.583 0.800 0.400 CB 0.849 6 residues pruned to eliminate duplicates Z: 9 3.241 1.614 0.364 0.288 0.625 0.500 CB 1.057 9 residues pruned to eliminate duplicates 6 1.650 1.252 0.560 0.230 0.600 0.400 CA 0.862 ? Z: 6 4.449 1.670 0.284 0.546 1.000 0.600 CB 0.887 6 residues pruned to eliminate duplicates Z: 20 13.329 1.817 0.472 0.352 1.000 0.579 CB 1.342 20 residues pruned to eliminate duplicates Z: 17 13.538 1.830 0.645 0.373 0.938 0.562 CB 1.373 17 residues pruned to eliminate duplicates Z: 24 12.578 1.678 0.643 0.384 0.913 0.696 CB 1.178 24 residues pruned to eliminate duplicates Z: 22 10.881 1.744 0.456 0.372 0.952 0.571 CB 1.126 22 residues pruned to eliminate duplicates Z: 19 12.105 1.832 0.540 0.426 0.944 0.667 CB 1.155 19 residues pruned to eliminate duplicates Z: 19 11.871 1.827 0.478 0.383 0.889 0.611 CB 1.320 19 residues pruned to eliminate duplicates Z: 19 11.380 1.815 0.359 0.370 0.944 0.611 CB 1.324 19 residues pruned to eliminate duplicates Z: 17 9.000 1.775 0.305 0.342 0.875 0.562 CB 1.319 17 residues pruned to eliminate duplicates Z: 12 16.622 1.829 0.798 0.521 1.000 0.545 CB 1.492 12 residues pruned to eliminate duplicates Z: 40 16.548 1.756 0.523 0.452 0.897 0.667 CB 1.159 40 residues pruned to eliminate duplicates Z: 23 16.166 1.813 0.636 0.450 1.000 0.682 CB 1.223 23 residues pruned to eliminate duplicates Z: 25 13.395 1.805 0.416 0.413 0.917 0.583 CB 1.277 25 residues pruned to eliminate duplicates Z: 10 9.234 1.776 0.698 0.504 0.889 0.667 CB 1.144 10 residues pruned to eliminate duplicates Z: 8 13.134 1.815 0.759 0.652 1.000 0.714 CB 1.349 8 residues pruned to eliminate duplicates Z: 18 10.597 1.801 0.488 0.419 0.824 0.647 CB 1.266 18 residues pruned to eliminate duplicates Z: 19 13.970 1.761 0.490 0.538 0.944 0.611 CB 1.280 19 residues pruned to eliminate duplicates Z: 17 11.401 1.771 0.599 0.486 0.875 0.750 CB 1.167 17 residues pruned to eliminate duplicates Z: 28 23.374 1.803 0.528 0.763 0.963 0.815 CB 1.342 28 residues pruned to eliminate duplicates Z: 23 17.359 1.784 0.561 0.624 0.955 0.818 CB 1.239 23 residues pruned to eliminate duplicates Z: 16 15.799 1.803 0.704 0.518 1.000 0.800 CB 1.305 16 residues pruned to eliminate duplicates Z: 20 15.195 1.776 0.434 0.691 0.895 0.579 CB 1.284 21 residues pruned to eliminate duplicates Z: 20 19.134 1.726 0.498 0.889 1.000 0.842 CB 1.223 20 residues pruned to eliminate duplicates Z: 30 16.590 1.748 0.409 0.664 0.897 0.655 CB 1.199 30 residues pruned to eliminate duplicates Z: 15 17.580 1.849 0.705 0.880 0.857 0.714 CB 1.260 15 residues pruned to eliminate duplicates Z: 19 22.412 1.835 0.678 0.845 1.000 0.722 CB 1.276 19 residues pruned to eliminate duplicates Z: 28 23.018 1.833 0.590 0.739 0.963 0.778 CB 1.274 28 residues pruned to eliminate duplicates Z: 21 16.953 1.791 0.543 0.733 0.850 0.700 CB 1.310 21 residues pruned to eliminate duplicates Z: 21 17.284 1.812 0.561 0.736 0.900 0.650 CB 1.228 21 residues pruned to eliminate duplicates Z: 20 18.924 1.824 0.666 0.748 0.895 0.684 CB 1.279 20 residues pruned to eliminate duplicates Z: 18 18.042 1.828 0.679 0.815 0.941 0.588 CB 1.152 18 residues pruned to eliminate duplicates Z: 15 19.887 1.832 0.797 0.795 1.000 0.929 CB 1.247 15 residues pruned to eliminate duplicates Z: 45 22.158 1.795 0.637 0.587 0.886 0.523 CB 1.180 45 residues pruned to eliminate duplicates Z: 51 25.617 1.824 0.570 0.597 0.940 0.740 CB 1.226 51 residues pruned to eliminate duplicates Z: 24 17.885 1.818 0.658 0.680 0.826 0.565 CB 1.269 24 residues pruned to eliminate duplicates Z: 44 18.702 1.785 0.491 0.600 0.884 0.628 CB 1.103 44 residues pruned to eliminate duplicates Z: 43 24.059 1.803 0.744 0.591 0.976 0.714 CB 1.109 43 residues pruned to eliminate duplicates Z: 13 8.489 1.599 0.275 0.675 0.917 0.500 CB 1.115 13 residues pruned to eliminate duplicates Z: 12 6.134 1.604 0.253 0.483 0.909 0.455 CB 1.030 10 residues pruned to eliminate duplicates Z: 15 11.060 1.654 0.295 0.746 0.857 0.786 CB 1.293 15 residues pruned to eliminate duplicates Z: 12 9.793 1.694 0.238 0.696 0.909 0.455 CB 1.294 13 residues pruned to eliminate duplicates Z: 12 15.164 1.768 0.401 0.845 1.000 0.636 CB 1.371 12 residues pruned to eliminate duplicates Z: 11 8.777 1.725 0.330 0.717 0.800 0.600 CB 1.242 11 residues pruned to eliminate duplicates Z: 15 11.689 1.650 0.510 0.605 0.857 0.429 CB 1.324 10 residues pruned to eliminate duplicates Z: 9 9.171 1.818 0.213 0.893 1.000 0.750 CB 1.055 9 residues pruned to eliminate duplicates Z: 17 15.491 1.726 0.660 0.705 0.875 0.438 CB 1.282 14 residues pruned to eliminate duplicates Z: 13 17.167 1.723 0.497 0.879 1.000 0.917 CB 1.393 13 residues pruned to eliminate duplicates Z: 18 13.104 1.712 0.585 0.593 0.824 0.412 CB 1.301 18 residues pruned to eliminate duplicates Z: 26 12.377 1.596 0.528 0.592 0.920 0.440 CB 1.010 26 residues pruned to eliminate duplicates Z: 47 25.091 1.740 0.557 0.627 0.935 0.630 CB 1.296 52 residues pruned to eliminate duplicates Z: 14 12.115 1.695 0.302 0.847 0.923 0.462 CB 1.225 14 residues pruned to eliminate duplicates Z: 13 8.526 1.623 0.904 0.391 0.917 0.333 CB 0.975 8 residues pruned to eliminate duplicates Z: 9 5.212 1.541 0.738 0.352 0.750 0.500 CB 1.076 Z: 7 3.881 1.411 0.803 0.231 0.833 0.667 CA 1.023 7 residues pruned to eliminate duplicates Z: 13 6.967 1.815 0.266 0.374 0.833 0.583 CB 1.201 13 residues pruned to eliminate duplicates Z: 19 9.743 1.751 0.465 0.388 0.944 0.611 CB 1.067 19 residues pruned to eliminate duplicates Z: 7 5.568 1.551 0.585 0.201 1.000 0.333 O 1.320 Z: 9 3.691 1.328 0.337 0.334 0.875 0.500 CA 1.007 9 residues pruned to eliminate duplicates Z: 24 8.379 1.704 0.213 0.418 0.870 0.478 CB 1.059 24 residues pruned to eliminate duplicates Z: 21 8.177 1.696 0.272 0.438 0.850 0.450 CB 1.063 20 residues pruned to eliminate duplicates Z: 6 4.240 1.298 0.553 0.400 1.000 0.600 N 1.045 6 residues pruned to eliminate duplicates Z: 6 4.311 1.826 0.435 0.375 0.800 0.200 CB 1.051 6 residues pruned to eliminate duplicates Z: 18 9.794 1.791 0.419 0.423 0.824 0.647 CB 1.230 17 residues pruned to eliminate duplicates Z: 6 3.496 1.284 0.847 0.279 0.800 0.200 CA 1.057 6 residues pruned to eliminate duplicates Z: 16 10.346 1.805 0.352 0.389 0.933 0.600 CB 1.318 17 residues pruned to eliminate duplicates Z: 6 4.699 1.837 0.466 0.468 0.800 0.400 CB 1.007 6 residues pruned to eliminate duplicates Z: 13 10.417 1.901 0.377 0.396 1.000 0.500 CB 1.282 13 residues pruned to eliminate duplicates Z: 19 6.530 1.758 0.229 0.272 0.778 0.500 CB 1.186 19 residues pruned to eliminate duplicates Z: 12 8.614 1.850 0.245 0.392 0.909 0.545 CB 1.391 12 residues pruned to eliminate duplicates Z: 19 6.441 1.738 0.103 0.246 0.944 0.444 CB 1.124 19 residues pruned to eliminate duplicates Z: 17 8.563 1.841 0.198 0.286 0.938 0.500 CB 1.318 17 residues pruned to eliminate duplicates Z: 25 11.184 1.869 0.176 0.394 0.958 0.458 CB 1.213 25 residues pruned to eliminate duplicates Z: 28 11.092 1.788 0.177 0.368 0.926 0.593 CB 1.262 28 residues pruned to eliminate duplicates Z: 28 10.258 1.801 0.249 0.329 0.889 0.481 CB 1.191 28 residues pruned to eliminate duplicates Z: 21 9.332 1.807 0.250 0.332 0.950 0.450 CB 1.168 21 residues pruned to eliminate duplicates Z: 38 14.070 1.782 0.433 0.360 0.946 0.459 CB 1.114 38 residues pruned to eliminate duplicates Z: 28 9.444 1.784 0.124 0.350 0.926 0.333 CB 1.153 28 residues pruned to eliminate duplicates Z: 10 6.483 1.736 0.381 0.492 0.889 0.444 CB 1.023 10 residues pruned to eliminate duplicates Z: 17 7.078 1.755 0.380 0.380 0.812 0.500 CB 1.021 17 residues pruned to eliminate duplicates Z: 31 11.127 1.772 0.233 0.326 0.933 0.600 CB 1.207 31 residues pruned to eliminate duplicates Z: 33 10.036 1.743 0.270 0.325 0.875 0.594 CB 1.111 33 residues pruned to eliminate duplicates Z: 35 15.573 1.815 0.389 0.438 0.971 0.529 CB 1.163 35 residues pruned to eliminate duplicates Z: 35 14.578 1.822 0.419 0.433 0.912 0.588 CB 1.137 35 residues pruned to eliminate duplicates Z: 36 15.917 1.791 0.445 0.446 0.971 0.543 CB 1.131 36 residues pruned to eliminate duplicates Z: 37 15.775 1.848 0.423 0.415 0.917 0.667 CB 1.192 37 residues pruned to eliminate duplicates Z: 10 16.225 1.828 1.033 0.682 1.000 0.667 CB 1.231 10 residues pruned to eliminate duplicates Z: 37 16.931 1.853 0.417 0.456 0.944 0.583 CB 1.190 37 residues pruned to eliminate duplicates Z: 61 20.342 1.851 0.414 0.391 0.933 0.517 CB 1.207 61 residues pruned to eliminate duplicates Z: 13 8.446 1.814 0.238 0.488 0.917 0.500 CB 1.199 13 residues pruned to eliminate duplicates Z: 10 15.238 1.834 0.719 0.697 1.000 0.778 CB 1.346 10 residues pruned to eliminate duplicates Z: 8 6.962 1.844 0.393 0.545 1.000 0.429 CB 0.980 6 1.866 1.446 0.139 0.412 0.800 0.000 CB 0.694 ? Z: 6 3.509 1.432 1.091 0.303 0.800 0.400 CB 0.816 6 residues pruned to eliminate duplicates Z: 19 12.698 1.838 0.624 0.583 0.778 0.500 CB 1.191 27 residues pruned to eliminate duplicates Z: 12 15.751 1.932 0.825 0.573 0.909 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 13 10.090 1.835 0.682 0.496 0.750 0.750 CB 1.263 21 residues pruned to eliminate duplicates Z: 9 15.103 2.058 0.766 0.628 1.000 0.750 CB 1.303 9 residues pruned to eliminate duplicates Z: 44 15.371 1.777 0.620 0.406 0.791 0.512 CB 1.137 48 residues pruned to eliminate duplicates Z: 7 4.167 1.250 0.650 0.381 1.000 0.500 CA 0.935 Z: 7 5.300 1.574 0.565 0.350 1.000 0.500 CB 1.033 Z: 6 4.178 1.745 0.517 0.270 0.800 0.800 CB 1.146 Z: 7 5.000 1.421 0.480 0.519 1.000 0.333 CB 0.953 7 residues pruned to eliminate duplicates Z: 12 13.515 1.973 0.786 0.432 0.909 0.727 CA 1.365 18 residues pruned to eliminate duplicates Z: 15 12.598 1.931 0.563 0.413 0.929 0.857 CB 1.316 13 residues pruned to eliminate duplicates Z: 6 4.145 1.270 0.519 0.462 1.000 0.800 CA 0.998 6 residues pruned to eliminate duplicates Z: 11 5.535 1.477 0.330 0.425 0.800 0.700 N 1.204 11 residues pruned to eliminate duplicates Z: 7 3.072 1.474 0.259 0.494 1.000 0.833 CB 0.680 Z: 6 3.785 1.377 0.246 0.301 1.000 0.600 CA 1.232 6 residues pruned to eliminate duplicates Z: 28 10.329 1.660 0.352 0.345 0.852 0.407 CB 1.230 28 residues pruned to eliminate duplicates Z: 23 13.725 1.747 0.504 0.436 0.955 0.545 CB 1.246 23 residues pruned to eliminate duplicates Z: 27 11.507 1.668 0.518 0.357 0.846 0.615 CB 1.229 27 residues pruned to eliminate duplicates Z: 24 10.243 1.672 0.556 0.373 0.870 0.565 CB 1.082 24 residues pruned to eliminate duplicates Z: 25 12.755 1.681 0.712 0.425 0.833 0.625 CB 1.174 25 residues pruned to eliminate duplicates Z: 16 12.113 1.761 0.606 0.434 1.000 0.800 CB 1.185 16 residues pruned to eliminate duplicates Z: 37 15.774 1.816 0.507 0.446 0.833 0.528 CB 1.218 37 residues pruned to eliminate duplicates Z: 20 12.450 1.684 0.726 0.439 0.895 0.632 CB 1.170 20 residues pruned to eliminate duplicates Z: 32 16.476 1.829 0.465 0.454 0.903 0.645 CB 1.282 32 residues pruned to eliminate duplicates Z: 22 12.018 1.779 0.454 0.472 0.810 0.619 CB 1.289 22 residues pruned to eliminate duplicates Z: 17 14.719 1.946 0.390 0.591 0.875 0.688 CB 1.425 17 residues pruned to eliminate duplicates Z: 19 16.600 1.947 0.404 0.618 0.944 0.833 CB 1.356 19 residues pruned to eliminate duplicates Z: 46 22.992 1.804 0.618 0.584 0.911 0.711 CB 1.189 42 residues pruned to eliminate duplicates Z: 7 2.914 1.502 -0.141 0.446 1.000 0.500 CA 0.975 7 residues pruned to eliminate duplicates Z: 34 24.242 1.877 0.511 0.691 0.939 0.697 CB 1.330 34 residues pruned to eliminate duplicates Z: 20 14.567 1.837 0.511 0.575 0.895 0.737 CB 1.251 20 residues pruned to eliminate duplicates Z: 19 14.573 1.928 0.464 0.536 0.944 0.556 CB 1.245 19 residues pruned to eliminate duplicates Z: 29 24.951 1.923 0.459 0.700 1.000 0.714 CB 1.401 29 residues pruned to eliminate duplicates Z: 20 15.119 1.939 0.514 0.557 0.895 0.684 CB 1.250 20 residues pruned to eliminate duplicates Z: 55 24.826 1.808 0.526 0.553 0.907 0.630 CB 1.282 55 residues pruned to eliminate duplicates Z: 31 24.156 1.905 0.479 0.642 0.933 0.700 CB 1.467 31 residues pruned to eliminate duplicates Z: 29 29.220 1.937 0.522 0.716 1.000 0.786 CB 1.540 29 residues pruned to eliminate duplicates Z: 32 24.854 1.918 0.339 0.729 0.935 0.774 CB 1.511 32 residues pruned to eliminate duplicates Z: 29 30.475 1.978 0.459 0.794 1.000 0.821 CB 1.543 29 residues pruned to eliminate duplicates Z: 36 25.261 1.896 0.520 0.655 0.857 0.657 CB 1.496 36 residues pruned to eliminate duplicates Z: 30 26.730 1.939 0.526 0.741 0.931 0.862 CB 1.452 30 residues pruned to eliminate duplicates Z: 31 25.854 1.885 0.621 0.706 0.967 0.767 CB 1.325 31 residues pruned to eliminate duplicates Z: 30 28.985 1.948 0.487 0.760 0.966 0.793 CB 1.528 30 residues pruned to eliminate duplicates Z: 31 24.911 1.926 0.385 0.757 0.900 0.800 CB 1.507 31 residues pruned to eliminate duplicates Z: 31 28.107 1.965 0.488 0.768 0.967 0.833 CB 1.432 31 residues pruned to eliminate duplicates Z: 33 26.750 1.906 0.562 0.650 0.938 0.750 CB 1.474 33 residues pruned to eliminate duplicates Z: 30 26.324 1.936 0.400 0.719 0.966 0.724 CB 1.532 30 residues pruned to eliminate duplicates Z: 30 31.587 1.970 0.569 0.780 1.000 0.862 CB 1.483 30 residues pruned to eliminate duplicates Z: 30 30.930 1.951 0.587 0.789 1.000 0.724 CB 1.439 30 residues pruned to eliminate duplicates Z: 31 25.910 1.894 0.506 0.735 0.933 0.600 CB 1.439 31 residues pruned to eliminate duplicates Z: 56 28.660 1.859 0.564 0.610 0.891 0.655 CB 1.345 56 residues pruned to eliminate duplicates Z: 42 30.637 1.920 0.529 0.731 0.976 0.780 CB 1.357 42 residues pruned to eliminate duplicates Z: 38 31.097 1.934 0.466 0.752 1.000 0.676 CB 1.440 38 residues pruned to eliminate duplicates Z: 62 27.301 1.812 0.558 0.613 0.902 0.623 CB 1.233 62 residues pruned to eliminate duplicates Z: 47 30.121 1.879 0.386 0.731 0.978 0.804 CB 1.416 47 residues pruned to eliminate duplicates Z: 17 14.869 1.794 0.572 0.707 0.938 0.812 CB 1.165 17 residues pruned to eliminate duplicates Z: 19 11.365 1.766 0.481 0.563 0.778 0.500 CB 1.239 19 residues pruned to eliminate duplicates Z: 49 31.673 1.879 0.491 0.710 0.958 0.729 CB 1.407 49 residues pruned to eliminate duplicates Z: 17 10.015 1.711 0.509 0.607 0.688 0.500 CB 1.274 17 residues pruned to eliminate duplicates Z: 41 27.791 1.910 0.526 0.720 0.900 0.650 CB 1.373 41 residues pruned to eliminate duplicates Z: 24 14.236 1.844 0.616 0.501 0.826 0.478 CB 1.204 24 residues pruned to eliminate duplicates Z: 23 16.662 1.876 0.712 0.524 0.864 0.364 CB 1.251 23 residues pruned to eliminate duplicates Z: 17 11.753 1.846 0.491 0.633 0.812 0.375 CB 1.160 17 residues pruned to eliminate duplicates Z: 18 15.433 1.799 0.621 0.658 0.941 0.353 CB 1.178 18 residues pruned to eliminate duplicates Z: 25 15.213 1.831 0.495 0.489 0.875 0.375 CB 1.311 25 residues pruned to eliminate duplicates Z: 29 14.017 1.773 0.538 0.393 0.893 0.500 CB 1.218 29 residues pruned to eliminate duplicates Z: 56 30.748 1.907 0.453 0.656 0.927 0.655 CB 1.395 56 residues pruned to eliminate duplicates Z: 12 7.236 1.845 0.518 0.248 0.909 0.364 CB 1.146 12 residues pruned to eliminate duplicates Z: 24 16.874 1.834 0.749 0.570 0.913 0.348 CB 1.123 24 residues pruned to eliminate duplicates Z: 70 33.517 1.878 0.619 0.593 0.942 0.565 CB 1.289 86 residues pruned to eliminate duplicates Z: 7 7.192 1.784 0.783 0.311 0.833 0.167 CA 1.366 7 residues pruned to eliminate duplicates Z: 38 21.236 1.836 0.636 0.545 0.892 0.622 CB 1.248 38 residues pruned to eliminate duplicates Z: 31 14.700 1.823 0.494 0.420 0.867 0.500 CB 1.236 31 residues pruned to eliminate duplicates Z: 39 20.104 1.868 0.482 0.449 0.921 0.421 CB 1.347 39 residues pruned to eliminate duplicates 6 1.767 1.342 0.230 0.377 0.800 0.400 N 0.682 ? Z: 6 4.063 1.601 0.497 0.384 1.000 0.400 CA 0.858 6 residues pruned to eliminate duplicates Z: 14 10.485 1.743 0.537 0.536 0.846 0.385 N 1.238 14 residues pruned to eliminate duplicates Z: 13 11.050 1.832 0.462 0.499 0.833 0.417 CB 1.431 13 residues pruned to eliminate duplicates Z: 15 11.901 1.727 0.657 0.539 0.929 0.500 CB 1.152 15 residues pruned to eliminate duplicates Z: 13 10.902 1.851 0.430 0.515 0.833 0.417 N 1.405 13 residues pruned to eliminate duplicates Z: 13 12.038 1.743 0.663 0.604 0.917 0.750 CB 1.185 13 residues pruned to eliminate duplicates Z: 13 12.006 1.839 0.688 0.577 0.833 0.583 CB 1.244 13 residues pruned to eliminate duplicates Z: 14 11.396 1.762 0.552 0.547 0.923 0.385 CB 1.196 14 residues pruned to eliminate duplicates Z: 6 2.226 1.758 -0.127 0.397 0.600 0.600 CB 1.205 Z: 8 3.805 1.488 0.411 0.443 0.714 0.286 CB 1.017 8 residues pruned to eliminate duplicates Z: 15 3.551 1.555 0.509 0.139 0.643 0.214 CB 0.984 15 residues pruned to eliminate duplicates Z: 9 2.066 1.590 0.500 0.205 0.500 0.250 CB 0.869 9 residues pruned to eliminate duplicates Z: 20 11.877 1.742 0.695 0.416 0.895 0.421 CB 1.126 21 residues pruned to eliminate duplicates Z: 8 6.099 1.560 0.587 0.349 0.857 0.714 O 1.278 Z: 7 4.025 1.364 0.882 0.531 0.667 0.667 CB 0.932 7 residues pruned to eliminate duplicates Z: 15 9.580 1.706 0.702 0.380 0.929 0.500 CB 1.080 23 residues pruned to eliminate duplicates Z: 10 12.940 1.848 1.198 0.579 0.889 0.667 CB 1.107 10 residues pruned to eliminate duplicates Z: 15 11.666 1.817 1.051 0.430 0.786 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 16 11.289 1.829 0.678 0.512 0.867 0.733 CB 1.083 16 residues pruned to eliminate duplicates Z: 13 9.856 1.824 0.878 0.419 0.833 0.583 CB 1.085 13 residues pruned to eliminate duplicates Z: 12 12.842 1.850 1.095 0.513 1.000 0.455 CB 0.986 12 residues pruned to eliminate duplicates Z: 11 14.668 1.888 0.978 0.553 1.000 0.600 CB 1.180 11 residues pruned to eliminate duplicates Z: 7 2.505 1.674 0.408 0.273 0.667 0.500 CB 0.841 7 residues pruned to eliminate duplicates Z: 6 4.213 1.471 0.750 0.711 1.000 0.800 CB 0.605 6 residues pruned to eliminate duplicates Z: 8 5.899 1.526 0.400 0.493 0.857 0.571 O 1.225 Z: 6 3.113 1.418 0.526 0.393 0.600 0.200 O 1.200 6 residues pruned to eliminate duplicates Z: 10 8.309 1.971 0.146 0.464 0.889 0.444 CB 1.431 10 residues pruned to eliminate duplicates Z: 14 10.266 1.836 0.367 0.424 0.846 0.615 CB 1.451 14 residues pruned to eliminate duplicates Z: 13 8.458 1.803 0.017 0.432 1.000 0.667 CB 1.428 13 residues pruned to eliminate duplicates Z: 15 10.742 1.769 0.442 0.384 1.000 0.643 CB 1.273 22 residues pruned to eliminate duplicates Z: 6 2.803 1.199 0.302 0.577 0.800 0.800 N 0.932 6 residues pruned to eliminate duplicates Z: 13 10.008 1.825 0.400 0.425 0.917 0.667 CB 1.333 14 residues pruned to eliminate duplicates Z: 6 4.218 1.503 0.432 0.499 0.800 0.600 CB 1.097 6 residues pruned to eliminate duplicates Z: 8 5.114 1.736 0.371 0.399 0.857 0.714 CB 1.053 8 residues pruned to eliminate duplicates Z: 10 5.619 1.375 0.609 0.421 0.889 0.667 N 1.034 8 residues pruned to eliminate duplicates 7 1.932 1.284 0.171 0.275 0.667 0.167 N 1.015 ? Z: 7 3.591 1.544 0.299 0.211 0.833 0.333 CB 1.234 11 residues pruned to eliminate duplicates Z: 6 2.637 1.204 0.305 0.360 0.800 0.600 CB 1.091 6 residues pruned to eliminate duplicates Z: 14 9.232 1.655 0.531 0.487 0.846 0.538 CB 1.211 11 residues pruned to eliminate duplicates Z: 6 3.408 1.479 0.296 0.630 1.000 0.400 CB 0.704 752 residues left after pruning, divided into chains as follows: A: 6 B: 8 C: 9 D: 22 E: 28 F: 7 G: 7 H: 6 I: 13 J: 6 K: 28 L: 44 M: 22 N: 10 O: 122 P: 94 Q: 9 R: 9 S: 18 T: 17 U: 9 V: 11 W: 92 X: 7 Y: 11 Z: 87 Z: 50 CC for partial structure against native data = 35.81 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.495, Connect. = 0.670 for dens.mod. cycle 1 = 0.300, Contrast = 0.570, Connect. = 0.698 for dens.mod. cycle 2 = 0.300, Contrast = 0.670, Connect. = 0.732 for dens.mod. cycle 3 = 0.300, Contrast = 0.678, Connect. = 0.734 for dens.mod. cycle 4 = 0.300, Contrast = 0.687, Connect. = 0.737 for dens.mod. cycle 5 = 0.300, Contrast = 0.689, Connect. = 0.738 for dens.mod. cycle 6 = 0.300, Contrast = 0.692, Connect. = 0.739 for dens.mod. cycle 7 = 0.300, Contrast = 0.691, Connect. = 0.740 for dens.mod. cycle 8 = 0.300, Contrast = 0.693, Connect. = 0.741 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.742 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3100 peaks > 0.5 sigma used to seed fragment search Space for about 1420 unique residues taking solvent into account 815 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 21 30.939 2.007 0.552 0.939 1.000 0.800 CB 1.544 B: 12 17.970 2.095 0.402 0.802 1.000 0.909 CB 1.417 C: 12 16.831 1.901 0.531 0.815 0.909 0.636 CB 1.459 11 residues pruned to eliminate duplicates D: 24 9.244 1.820 0.297 0.357 0.739 0.478 CB 1.289 E: 10 7.496 1.923 0.325 0.496 0.889 0.556 CB 1.107 F: 21 27.115 2.036 0.610 0.894 0.900 0.700 CB 1.473 21 residues pruned to eliminate duplicates G: 11 10.880 1.793 0.484 0.654 1.000 0.500 CB 1.121 10 residues pruned to eliminate duplicates H: 21 29.156 1.996 0.467 0.895 1.000 0.850 CB 1.597 21 residues pruned to eliminate duplicates I: 8 7.353 1.722 0.271 0.750 0.857 0.857 CB 1.186 J: 21 33.003 2.031 0.618 0.926 1.000 0.800 CB 1.575 21 residues pruned to eliminate duplicates K: 13 18.029 1.896 0.399 0.893 1.000 0.750 CB 1.408 13 residues pruned to eliminate duplicates L: 18 8.968 1.923 0.404 0.365 0.706 0.353 CB 1.321 17 residues pruned to eliminate duplicates M: 19 26.785 1.925 0.658 0.924 1.000 0.722 CB 1.389 N: 11 14.171 1.978 0.625 0.830 0.900 0.700 CB 1.165 11 residues pruned to eliminate duplicates O: 20 22.894 1.822 0.698 0.914 1.000 0.789 CB 1.200 P: 14 16.215 1.772 0.483 0.812 0.923 0.615 CB 1.413 Q: 23 26.295 1.966 0.403 0.906 1.000 0.909 CB 1.446 21 residues pruned to eliminate duplicates R: 15 7.265 1.757 0.449 0.360 0.714 0.500 CB 1.241 S: 18 22.534 1.879 0.757 0.900 0.941 0.647 CB 1.257 18 residues pruned to eliminate duplicates T: 20 27.907 1.983 0.546 0.911 1.000 0.789 CB 1.480 20 residues pruned to eliminate duplicates U: 14 26.537 2.061 0.962 0.877 0.923 0.538 CB 1.432 14 residues pruned to eliminate duplicates V: 19 24.736 1.831 0.767 0.923 1.000 0.500 CB 1.266 20 residues pruned to eliminate duplicates W: 14 7.430 1.755 0.581 0.435 0.923 0.692 CB 0.860 X: 19 26.967 1.923 0.783 0.929 1.000 0.889 CB 1.297 19 residues pruned to eliminate duplicates Y: 9 9.499 1.805 0.535 0.661 0.875 0.625 CB 1.193 Z: 19 15.003 1.921 0.534 0.434 0.944 0.611 CB 1.360 Z: 8 7.047 1.789 0.540 0.596 0.857 0.571 CB 1.029 Z: 22 26.753 1.962 0.669 0.880 0.952 0.762 CB 1.357 22 residues pruned to eliminate duplicates Z: 12 5.814 1.812 -0.009 0.329 0.818 0.545 CB 1.439 Z: 16 12.179 1.927 0.363 0.434 0.867 0.600 CB 1.480 17 residues pruned to eliminate duplicates Z: 21 24.356 1.953 0.272 0.900 1.000 0.900 CB 1.566 21 residues pruned to eliminate duplicates Z: 31 31.123 2.078 0.291 0.780 1.000 0.933 CB 1.655 21 residues pruned to eliminate duplicates Z: 21 25.436 2.003 0.315 0.910 1.000 0.950 CB 1.532 21 residues pruned to eliminate duplicates Z: 21 17.840 1.794 0.282 0.870 1.000 0.800 CB 1.266 Z: 18 25.515 1.943 0.906 0.912 0.941 0.882 CB 1.257 17 residues pruned to eliminate duplicates Z: 20 13.336 1.895 0.516 0.459 0.895 0.632 CB 1.241 15 residues pruned to eliminate duplicates Z: 14 15.937 1.693 0.560 0.850 1.000 0.923 CB 1.239 14 residues pruned to eliminate duplicates Z: 11 9.690 1.861 0.165 0.441 1.000 0.600 CB 1.502 12 residues pruned to eliminate duplicates Z: 12 6.836 1.774 0.146 0.416 0.818 0.364 CB 1.353 12 residues pruned to eliminate duplicates Z: 18 25.861 1.866 0.742 0.918 1.000 0.824 CB 1.360 18 residues pruned to eliminate duplicates Z: 16 8.143 1.886 0.189 0.504 0.867 0.533 CB 1.078 Z: 21 26.086 1.879 0.926 0.938 0.950 0.850 CB 1.180 21 residues pruned to eliminate duplicates Z: 10 13.534 1.759 0.868 0.652 0.889 0.778 CB 1.340 Z: 6 11.572 1.847 0.404 0.863 1.000 0.800 CB 1.463 6 residues pruned to eliminate duplicates Z: 12 10.575 1.728 0.597 0.539 0.818 0.455 CB 1.360 Z: 11 9.929 1.869 0.354 0.672 1.000 0.900 CB 1.059 11 residues pruned to eliminate duplicates Z: 20 8.539 1.741 0.276 0.320 0.842 0.474 CB 1.277 Z: 25 15.705 1.875 0.467 0.333 0.958 0.500 N 1.460 18 residues pruned to eliminate duplicates Z: 22 16.068 1.931 0.578 0.440 0.905 0.571 CB 1.353 24 residues pruned to eliminate duplicates Z: 34 25.948 1.994 0.422 0.665 0.939 0.788 CB 1.455 34 residues pruned to eliminate duplicates Z: 13 5.590 1.775 0.077 0.386 0.750 0.417 CB 1.271 13 residues pruned to eliminate duplicates Z: 21 21.943 1.828 0.486 0.900 1.000 1.000 CB 1.290 20 residues pruned to eliminate duplicates Z: 10 5.512 1.645 0.477 0.334 0.778 0.444 N 1.166 10 residues pruned to eliminate duplicates Z: 13 13.790 1.964 0.788 0.543 0.917 0.583 CB 1.186 6 residues pruned to eliminate duplicates Z: 21 24.270 2.035 0.305 0.918 1.000 0.900 CB 1.441 21 residues pruned to eliminate duplicates Z: 16 22.908 1.953 0.621 0.902 1.000 0.867 CB 1.333 16 residues pruned to eliminate duplicates Z: 27 14.993 1.921 0.520 0.341 0.923 0.538 CB 1.297 24 residues pruned to eliminate duplicates Z: 7 3.368 1.679 -0.021 0.426 1.000 0.333 CB 0.904 Z: 13 6.560 1.894 0.118 0.459 0.833 0.583 CB 1.119 13 residues pruned to eliminate duplicates Z: 21 24.321 1.947 0.326 0.890 1.000 0.950 CB 1.515 21 residues pruned to eliminate duplicates Z: 22 24.268 1.843 0.495 0.885 1.000 0.905 CB 1.387 22 residues pruned to eliminate duplicates Z: 6 5.423 1.723 0.765 0.629 0.800 0.800 CB 0.883 Z: 20 24.160 1.829 0.715 0.936 0.947 0.842 CB 1.298 19 residues pruned to eliminate duplicates Z: 20 26.377 1.959 0.779 0.847 0.947 0.842 CB 1.361 20 residues pruned to eliminate duplicates Z: 12 9.987 1.938 0.373 0.465 0.909 0.545 CB 1.291 12 residues pruned to eliminate duplicates Z: 16 6.409 1.827 0.129 0.304 0.867 0.467 CB 1.151 Z: 11 7.800 1.629 0.422 0.448 0.900 0.500 CB 1.247 Z: 7 6.444 1.729 0.075 0.475 1.000 0.667 CB 1.452 7 residues pruned to eliminate duplicates Z: 11 6.466 1.704 0.546 0.254 0.800 0.700 CB 1.286 Z: 21 23.176 1.845 0.688 0.911 1.000 0.700 CB 1.179 21 residues pruned to eliminate duplicates Z: 7 3.548 1.765 0.478 0.642 0.833 0.667 CB 0.584 Z: 8 11.926 1.786 0.995 0.652 0.857 0.571 CB 1.281 Z: 26 14.228 1.830 0.471 0.450 0.920 0.520 CB 1.209 Z: 19 18.092 1.791 0.521 0.883 0.889 0.778 CB 1.273 19 residues pruned to eliminate duplicates Z: 8 2.393 1.501 0.467 0.282 0.571 0.286 CB 0.919 Z: 21 22.859 1.867 0.455 0.917 1.000 0.950 CB 1.329 21 residues pruned to eliminate duplicates Z: 8 4.071 1.724 0.347 0.393 0.857 0.429 CB 0.866 8 residues pruned to eliminate duplicates Z: 14 17.817 1.885 0.684 0.781 0.923 0.615 CB 1.317 14 residues pruned to eliminate duplicates Z: 20 16.405 1.685 0.856 0.850 0.895 0.421 CB 0.996 19 residues pruned to eliminate duplicates Z: 18 25.559 1.991 0.710 0.904 1.000 0.824 CB 1.298 18 residues pruned to eliminate duplicates Z: 9 4.535 1.803 0.313 0.427 0.750 0.500 CB 0.974 Z: 18 14.138 1.765 0.226 0.903 1.000 1.000 CB 1.129 18 residues pruned to eliminate duplicates Z: 35 35.148 2.042 0.453 0.760 1.000 0.765 CB 1.613 39 residues pruned to eliminate duplicates Z: 8 4.963 1.776 0.154 0.584 1.000 0.571 CB 0.845 Z: 15 10.107 1.816 0.401 0.463 0.857 0.571 CB 1.287 Z: 13 6.122 1.772 0.259 0.444 0.917 0.667 CB 0.915 Z: 14 11.713 1.951 0.728 0.476 0.692 0.462 CB 1.426 10 residues pruned to eliminate duplicates Z: 15 21.555 1.785 0.741 0.900 1.000 0.786 CB 1.324 15 residues pruned to eliminate duplicates Z: 22 28.290 1.989 0.619 0.922 0.952 0.857 CB 1.415 22 residues pruned to eliminate duplicates Z: 21 27.169 1.863 1.022 0.931 1.000 0.800 CB 1.127 21 residues pruned to eliminate duplicates Z: 21 23.439 1.832 0.742 0.884 1.000 0.800 CB 1.186 21 residues pruned to eliminate duplicates Z: 7 6.478 1.770 0.294 0.658 0.833 0.833 CB 1.196 Z: 6 10.408 1.769 0.962 0.664 1.000 1.000 CB 1.152 Z: 25 5.929 1.603 0.333 0.285 0.708 0.417 CB 1.019 10 residues pruned to eliminate duplicates Z: 9 5.752 1.696 0.017 0.433 1.000 0.750 CB 1.264 8 residues pruned to eliminate duplicates Z: 11 3.230 1.529 0.247 0.203 0.700 0.400 CB 1.088 Z: 9 6.316 1.757 0.346 0.532 0.875 0.500 CB 1.046 9 residues pruned to eliminate duplicates Z: 14 15.951 1.772 0.315 0.822 1.000 0.769 CB 1.436 14 residues pruned to eliminate duplicates Z: 20 19.321 1.929 0.562 0.526 1.000 0.632 N 1.435 19 residues pruned to eliminate duplicates Z: 21 30.985 2.011 0.608 0.915 1.000 0.850 CB 1.514 23 residues pruned to eliminate duplicates Z: 6 11.531 1.808 0.485 0.803 1.000 0.800 N 1.474 Z: 12 11.825 1.869 0.427 0.621 0.909 0.636 CB 1.311 6 residues pruned to eliminate duplicates Z: 10 9.599 1.708 0.191 0.917 1.000 1.000 CB 1.111 Z: 6 5.259 1.733 0.634 0.553 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 12 5.285 1.583 0.407 0.387 0.818 0.455 CB 0.986 Z: 11 8.334 1.803 0.516 0.463 0.800 0.400 CB 1.252 8 residues pruned to eliminate duplicates Z: 22 9.225 1.863 0.204 0.440 0.857 0.667 CB 1.115 15 residues pruned to eliminate duplicates Z: 17 12.640 1.817 0.730 0.576 0.938 0.625 CB 0.997 6 residues pruned to eliminate duplicates Z: 10 7.087 1.634 0.637 0.330 0.778 0.444 N 1.367 Z: 19 14.499 1.912 0.422 0.477 0.889 0.611 CB 1.448 19 residues pruned to eliminate duplicates Z: 7 4.850 1.485 0.421 0.796 1.000 1.000 CB 0.723 7 residues pruned to eliminate duplicates Z: 15 9.926 1.827 0.524 0.372 0.786 0.429 CB 1.391 16 residues pruned to eliminate duplicates Z: 17 15.447 1.873 0.492 0.614 1.000 0.812 CB 1.241 8 residues pruned to eliminate duplicates Z: 10 15.831 1.786 0.547 0.848 1.000 0.667 CA 1.417 10 residues pruned to eliminate duplicates Z: 20 11.206 1.956 0.260 0.405 0.895 0.632 CB 1.289 12 residues pruned to eliminate duplicates Z: 25 13.700 1.846 0.386 0.429 0.917 0.542 CB 1.282 25 residues pruned to eliminate duplicates Z: 7 8.025 1.608 0.924 0.546 0.833 0.500 N 1.215 7 residues pruned to eliminate duplicates Z: 22 16.715 1.937 0.632 0.460 0.952 0.571 CB 1.262 22 residues pruned to eliminate duplicates Z: 6 6.024 1.713 0.391 0.568 1.000 0.600 N 1.059 8 residues pruned to eliminate duplicates Z: 22 30.485 1.998 0.767 0.909 1.000 0.857 CB 1.338 21 residues pruned to eliminate duplicates Z: 10 10.632 1.875 0.483 0.521 0.889 0.556 CB 1.404 10 residues pruned to eliminate duplicates Z: 37 11.463 1.799 0.338 0.421 0.806 0.417 CB 1.070 31 residues pruned to eliminate duplicates Z: 8 5.120 1.489 0.509 0.610 0.857 0.714 CB 0.906 Z: 21 8.223 1.705 0.404 0.324 0.850 0.400 CB 1.096 17 residues pruned to eliminate duplicates Z: 6 3.333 1.563 0.155 0.518 0.800 0.400 O 1.013 Z: 8 10.924 1.798 0.641 0.810 1.000 0.857 CB 1.068 8 residues pruned to eliminate duplicates Z: 12 11.631 1.764 0.236 0.883 0.818 0.818 CB 1.422 12 residues pruned to eliminate duplicates Z: 9 5.610 1.694 0.261 0.437 0.750 0.625 CB 1.321 Z: 26 12.053 1.838 0.381 0.387 0.880 0.600 CB 1.216 26 residues pruned to eliminate duplicates Z: 15 14.243 1.651 0.663 0.798 0.929 0.643 CB 1.150 15 residues pruned to eliminate duplicates Z: 22 10.676 1.835 0.229 0.392 0.857 0.524 CB 1.352 22 residues pruned to eliminate duplicates Z: 9 6.877 1.713 0.523 0.464 0.875 0.625 CB 1.104 Z: 11 3.112 1.799 0.249 0.247 0.700 0.400 CB 0.838 10 residues pruned to eliminate duplicates Z: 26 17.243 1.834 0.549 0.527 0.920 0.560 CB 1.284 28 residues pruned to eliminate duplicates Z: 13 6.743 1.809 0.627 0.371 0.750 0.750 CB 1.013 17 residues pruned to eliminate duplicates Z: 25 19.595 1.919 0.599 0.496 0.917 0.583 CB 1.428 25 residues pruned to eliminate duplicates Z: 8 3.407 1.561 0.309 0.480 0.714 0.429 CB 0.900 Z: 6 4.291 1.671 0.318 0.297 0.800 0.600 CB 1.366 6 residues pruned to eliminate duplicates Z: 22 8.131 1.677 0.368 0.381 0.762 0.571 CB 1.153 20 residues pruned to eliminate duplicates Z: 14 9.819 1.903 0.337 0.512 0.846 0.385 CB 1.249 14 residues pruned to eliminate duplicates Z: 6 11.744 2.008 0.401 0.666 1.000 1.000 CB 1.602 6 residues pruned to eliminate duplicates Z: 21 31.336 1.959 0.967 0.888 1.000 0.750 CB 1.310 19 residues pruned to eliminate duplicates Z: 9 9.843 1.871 0.549 0.672 0.875 0.500 CB 1.170 Z: 41 26.618 1.991 0.518 0.569 0.900 0.700 CB 1.447 41 residues pruned to eliminate duplicates Z: 6 4.229 1.781 0.676 0.636 0.800 0.600 CB 0.697 9 residues pruned to eliminate duplicates Z: 15 8.927 1.745 0.657 0.465 0.857 0.429 CB 0.998 15 residues pruned to eliminate duplicates Z: 19 11.510 1.817 0.370 0.546 0.944 0.611 CB 1.104 19 residues pruned to eliminate duplicates Z: 9 6.149 1.635 0.416 0.811 1.000 0.750 CB 0.716 Z: 11 8.601 1.814 0.616 0.548 0.900 0.500 CB 0.984 25 residues pruned to eliminate duplicates Z: 8 3.919 1.663 0.321 0.367 0.714 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 13 7.933 1.717 0.682 0.491 0.750 0.333 CB 1.066 Z: 6 7.203 1.651 0.536 0.595 0.800 0.600 CB 1.450 Z: 9 7.012 1.682 0.423 0.639 0.875 0.625 CB 1.039 19 residues pruned to eliminate duplicates Z: 48 29.976 1.947 0.605 0.566 0.936 0.681 CB 1.402 48 residues pruned to eliminate duplicates Z: 10 6.145 1.700 -0.080 0.624 1.000 0.778 CB 1.165 10 residues pruned to eliminate duplicates Z: 7 6.381 1.614 0.513 0.385 1.000 0.333 O 1.205 7 residues pruned to eliminate duplicates Z: 10 8.686 1.745 0.611 0.746 1.000 0.778 CB 0.827 Z: 8 6.820 1.622 0.360 0.663 1.000 1.000 CB 1.004 5 residues pruned to eliminate duplicates Z: 16 9.553 1.710 0.613 0.550 0.800 0.667 CB 1.065 16 residues pruned to eliminate duplicates Z: 10 4.722 1.646 0.523 0.255 0.778 0.333 N 1.070 Z: 12 15.880 1.704 0.512 0.874 1.000 1.000 CA 1.352 10 residues pruned to eliminate duplicates Z: 7 2.932 1.576 0.114 0.377 0.667 0.500 CB 1.166 8 residues pruned to eliminate duplicates Z: 9 3.744 1.559 0.114 0.367 0.750 0.625 CB 1.173 6 0.593 1.273 1.008 0.347 1.000 0.600 CB 0.123 ? Z: 9 6.489 1.559 0.909 0.386 0.750 0.500 CB 1.160 9 residues pruned to eliminate duplicates Z: 15 4.574 1.793 0.103 0.259 0.857 0.643 CB 0.950 15 residues pruned to eliminate duplicates Z: 13 6.250 1.551 0.245 0.412 0.917 0.583 CB 1.118 13 residues pruned to eliminate duplicates Z: 6 3.415 1.694 0.141 0.677 0.800 0.800 CB 0.839 Z: 13 7.886 1.584 0.579 0.487 0.917 0.583 N 1.006 13 residues pruned to eliminate duplicates Z: 8 5.516 1.544 0.905 0.214 0.857 0.571 CB 1.158 Z: 27 9.459 1.712 0.657 0.316 0.846 0.538 CB 0.948 Z: 9 11.850 1.920 0.572 0.533 1.000 0.750 CB 1.343 9 residues pruned to eliminate duplicates Z: 21 20.927 1.852 0.309 0.906 1.000 0.950 CB 1.374 21 residues pruned to eliminate duplicates Z: 14 5.503 1.693 0.520 0.455 0.769 0.615 CB 0.807 14 residues pruned to eliminate duplicates Z: 7 6.864 1.785 0.323 0.510 0.833 0.500 CB 1.410 Z: 6 8.203 1.661 0.762 0.800 1.000 0.800 CB 0.964 6 residues pruned to eliminate duplicates Z: 11 5.842 1.594 0.183 0.400 0.900 0.600 CB 1.209 9 residues pruned to eliminate duplicates Z: 16 7.875 1.693 0.579 0.482 0.800 0.800 CB 0.968 18 residues pruned to eliminate duplicates Z: 9 3.442 1.478 0.575 0.324 0.625 0.375 O 1.016 Z: 7 4.132 1.469 0.773 0.449 0.667 0.500 N 1.023 Z: 6 6.615 1.585 0.350 0.673 1.000 0.800 CB 1.178 Z: 22 11.459 1.750 0.637 0.383 0.952 0.619 CB 1.039 21 residues pruned to eliminate duplicates Z: 9 8.072 1.880 0.439 0.580 0.875 0.875 CB 1.116 9 residues pruned to eliminate duplicates Z: 6 2.793 1.470 0.392 0.436 0.600 0.600 CB 1.087 5 residues pruned to eliminate duplicates Z: 13 12.562 1.929 0.547 0.320 1.000 0.667 CB 1.481 13 residues pruned to eliminate duplicates Z: 20 26.869 2.007 0.727 0.863 0.895 0.579 CB 1.458 20 residues pruned to eliminate duplicates Z: 10 8.578 1.877 0.163 0.712 1.000 0.778 CB 1.081 Z: 7 8.651 1.743 0.584 0.756 0.833 0.833 CB 1.223 7 residues pruned to eliminate duplicates Z: 24 15.670 1.823 0.556 0.445 0.957 0.609 CB 1.274 29 residues pruned to eliminate duplicates Z: 15 6.442 1.552 0.252 0.393 0.786 0.643 O 1.262 Z: 10 6.108 1.678 0.398 0.620 0.778 0.667 CB 0.996 Z: 6 4.832 1.581 0.666 0.487 0.800 0.600 N 1.039 7 1.815 1.370 0.433 0.248 0.500 0.500 O 1.009 ? Z: 10 6.912 1.560 0.373 0.533 0.889 0.667 CB 1.172 6 1.668 1.349 0.464 0.284 0.600 0.600 CA 0.802 ? Z: 14 9.073 1.793 0.629 0.363 0.846 0.538 CB 1.179 14 residues pruned to eliminate duplicates Z: 8 2.287 1.656 0.499 0.335 0.571 0.571 CB 0.730 Z: 6 4.610 1.352 0.627 0.535 1.000 0.400 N 0.905 Z: 18 9.493 1.826 0.606 0.395 0.824 0.529 CB 1.065 18 residues pruned to eliminate duplicates Z: 8 8.753 1.722 0.535 0.734 0.857 0.857 CB 1.183 8 residues pruned to eliminate duplicates Z: 23 26.670 1.823 0.669 0.872 0.955 0.773 CB 1.427 23 residues pruned to eliminate duplicates Z: 20 15.093 1.844 0.573 0.489 0.895 0.474 CB 1.349 14 residues pruned to eliminate duplicates Z: 10 7.272 1.743 0.523 0.298 0.889 0.444 CB 1.287 Z: 24 13.119 1.737 0.526 0.439 0.870 0.522 CB 1.264 23 residues pruned to eliminate duplicates Z: 9 7.336 1.773 0.406 0.603 1.000 0.625 CB 0.943 Z: 6 3.179 1.383 0.474 0.508 0.800 0.600 CA 0.865 Z: 9 9.709 1.760 0.507 0.666 1.000 0.750 CB 1.110 9 residues pruned to eliminate duplicates Z: 7 9.159 1.701 0.425 0.590 1.000 0.833 CB 1.416 Z: 12 5.517 1.790 0.305 0.380 0.818 0.455 CB 0.990 12 residues pruned to eliminate duplicates Z: 12 13.443 2.004 0.174 0.918 1.000 0.818 CB 1.215 12 residues pruned to eliminate duplicates Z: 13 9.096 1.913 0.255 0.518 0.833 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 13 15.586 1.883 0.398 0.854 0.917 0.750 CB 1.378 13 residues pruned to eliminate duplicates Z: 7 3.462 1.472 0.434 0.317 0.833 0.500 O 0.984 Z: 21 8.839 1.683 0.505 0.318 0.850 0.600 CB 1.121 21 residues pruned to eliminate duplicates Z: 6 9.092 1.666 0.786 0.869 0.800 0.400 CA 1.247 14 residues pruned to eliminate duplicates Z: 20 19.447 1.815 0.469 0.871 0.947 0.789 CB 1.289 20 residues pruned to eliminate duplicates Z: 10 11.715 1.642 0.833 0.615 0.889 0.667 N 1.309 10 residues pruned to eliminate duplicates Z: 7 10.395 1.870 0.579 0.772 1.000 0.833 CB 1.130 7 residues pruned to eliminate duplicates Z: 22 10.227 1.722 0.523 0.556 0.857 0.429 CB 0.940 19 residues pruned to eliminate duplicates Z: 10 5.416 1.651 0.599 0.296 0.778 0.444 CB 1.105 10 residues pruned to eliminate duplicates Z: 14 15.107 1.720 0.436 0.819 0.923 0.538 CB 1.393 14 residues pruned to eliminate duplicates Z: 15 10.016 1.644 0.344 0.797 0.929 0.714 CB 1.006 15 residues pruned to eliminate duplicates Z: 9 3.987 1.542 -0.014 0.451 0.875 0.500 CB 1.113 Z: 13 6.029 1.631 0.054 0.342 0.917 0.417 CB 1.312 13 residues pruned to eliminate duplicates Z: 40 18.547 1.847 0.448 0.499 0.872 0.564 CB 1.275 32 residues pruned to eliminate duplicates Z: 21 10.212 1.858 0.324 0.493 0.800 0.650 CB 1.169 21 residues pruned to eliminate duplicates Z: 10 12.623 1.864 0.476 0.883 1.000 0.778 CB 1.106 10 residues pruned to eliminate duplicates Z: 11 10.951 1.918 0.373 0.843 0.900 0.700 CB 1.087 11 residues pruned to eliminate duplicates Z: 8 3.956 1.658 0.552 0.421 0.857 0.571 CB 0.736 Z: 7 3.443 1.639 0.038 0.543 1.000 0.667 CB 0.792 Z: 7 3.669 1.592 1.224 0.782 1.000 1.000 CB 0.330 Z: 13 5.080 1.603 0.248 0.265 0.750 0.333 CB 1.277 Z: 10 4.311 1.680 0.141 0.327 0.889 0.333 N 1.020 Z: 23 20.729 1.783 0.449 0.818 0.955 0.818 CB 1.360 23 residues pruned to eliminate duplicates Z: 36 16.646 1.777 0.623 0.493 0.914 0.600 CB 1.075 38 residues pruned to eliminate duplicates Z: 7 3.202 1.573 0.696 0.542 0.833 0.667 CB 0.564 Z: 11 13.185 1.810 0.910 0.527 0.900 0.800 N 1.304 11 residues pruned to eliminate duplicates Z: 12 20.879 2.015 0.577 0.655 1.000 0.727 CA 1.714 12 residues pruned to eliminate duplicates Z: 9 3.887 1.439 0.449 0.428 0.750 0.375 CB 0.947 9 residues pruned to eliminate duplicates Z: 7 3.806 1.477 0.712 0.447 0.667 0.333 CB 0.973 Z: 9 7.158 1.688 0.115 0.756 1.000 0.875 CB 1.071 9 residues pruned to eliminate duplicates Z: 63 21.497 1.875 0.398 0.505 0.903 0.613 CB 1.146 63 residues pruned to eliminate duplicates Z: 6 4.507 1.657 0.678 0.496 0.800 0.600 N 0.910 7 residues pruned to eliminate duplicates Z: 23 10.568 1.734 0.345 0.328 0.864 0.545 CB 1.351 23 residues pruned to eliminate duplicates Z: 8 11.833 1.719 0.602 0.867 1.000 0.857 CB 1.188 9 residues pruned to eliminate duplicates Z: 21 28.494 1.875 1.056 0.884 0.900 0.450 CB 1.328 21 residues pruned to eliminate duplicates Z: 6 6.237 1.507 0.741 0.598 1.000 0.800 CB 0.968 Z: 13 5.854 1.721 0.379 0.460 0.750 0.417 CB 0.989 13 residues pruned to eliminate duplicates Z: 14 15.368 1.755 0.313 0.853 1.000 0.846 CB 1.367 14 residues pruned to eliminate duplicates Z: 20 18.729 1.869 0.411 0.875 0.895 0.789 CB 1.324 20 residues pruned to eliminate duplicates Z: 14 8.345 1.761 0.611 0.497 0.692 0.692 N 1.181 12 residues pruned to eliminate duplicates Z: 12 10.622 1.723 0.721 0.624 0.818 0.727 CB 1.174 9 residues pruned to eliminate duplicates Z: 7 5.312 1.508 0.543 0.486 0.833 0.500 CB 1.134 Z: 24 30.837 1.908 0.652 0.888 1.000 0.870 CB 1.470 22 residues pruned to eliminate duplicates Z: 27 15.745 1.746 0.378 0.584 0.962 0.654 CB 1.232 27 residues pruned to eliminate duplicates Z: 7 6.211 1.715 0.676 0.668 0.833 0.667 CB 0.907 Z: 16 8.587 1.669 0.436 0.480 0.800 0.667 CB 1.179 23 residues pruned to eliminate duplicates Z: 27 11.992 1.709 0.411 0.429 0.885 0.654 CB 1.187 42 residues pruned to eliminate duplicates Z: 16 4.980 1.593 0.161 0.328 1.000 0.400 CB 0.840 Z: 16 15.927 1.838 0.386 0.901 1.000 0.867 CB 1.152 16 residues pruned to eliminate duplicates Z: 8 7.609 1.801 0.444 0.525 0.857 0.571 CB 1.258 Z: 41 15.172 1.799 0.490 0.409 0.850 0.500 CB 1.158 37 residues pruned to eliminate duplicates Z: 8 5.062 1.402 0.492 0.411 0.857 0.714 CB 1.171 Z: 12 5.209 1.745 0.663 0.218 0.727 0.273 CB 1.036 Z: 9 4.974 1.496 0.205 0.497 1.000 0.625 CB 0.978 9 residues pruned to eliminate duplicates Z: 6 7.833 1.481 0.572 0.868 1.000 0.800 CA 1.100 6 residues pruned to eliminate duplicates Z: 7 4.436 1.633 0.148 0.461 0.833 0.500 CB 1.206 Z: 6 3.901 1.709 0.948 0.592 0.800 0.600 CB 0.599 6 residues pruned to eliminate duplicates Z: 35 21.340 1.955 0.458 0.560 0.971 0.618 CB 1.248 38 residues pruned to eliminate duplicates Z: 7 2.149 1.481 0.004 0.473 1.000 0.500 CB 0.607 Z: 6 4.872 1.470 0.482 0.580 0.800 0.400 N 1.157 Z: 11 8.601 1.835 0.234 0.576 0.900 0.600 CB 1.241 11 residues pruned to eliminate duplicates Z: 24 14.995 1.873 0.614 0.435 0.870 0.522 CB 1.272 24 residues pruned to eliminate duplicates Z: 25 15.769 1.812 0.494 0.587 0.958 0.625 CB 1.141 25 residues pruned to eliminate duplicates Z: 11 7.672 1.649 0.167 0.740 0.800 0.400 CB 1.271 11 residues pruned to eliminate duplicates Z: 6 5.580 1.580 0.628 0.430 0.800 0.400 N 1.304 Z: 9 3.803 1.550 0.312 0.406 0.875 0.250 CB 0.834 Z: 10 12.242 1.692 0.535 0.782 1.000 0.889 CB 1.225 10 residues pruned to eliminate duplicates Z: 69 31.974 1.922 0.661 0.564 0.912 0.544 CB 1.251 77 residues pruned to eliminate duplicates Z: 7 4.476 1.772 0.045 0.495 0.667 0.333 O 1.487 7 residues pruned to eliminate duplicates Z: 55 33.719 1.934 0.500 0.683 0.944 0.722 CB 1.417 55 residues pruned to eliminate duplicates Z: 8 2.809 1.634 0.268 0.442 0.714 0.429 CB 0.761 Z: 21 21.199 1.819 0.551 0.870 1.000 0.700 CB 1.227 21 residues pruned to eliminate duplicates Z: 6 2.724 1.641 0.197 0.371 0.600 0.400 CB 1.186 Z: 6 4.298 1.518 0.359 0.450 0.800 0.200 CB 1.226 Z: 13 15.457 1.810 0.333 0.836 1.000 0.917 CB 1.384 13 residues pruned to eliminate duplicates Z: 10 3.217 1.644 -0.168 0.535 1.000 0.778 CB 0.757 Z: 16 8.329 1.663 0.343 0.441 0.867 0.600 CB 1.181 16 residues pruned to eliminate duplicates Z: 21 23.227 1.840 0.682 0.866 1.000 0.800 CB 1.229 21 residues pruned to eliminate duplicates Z: 9 5.335 1.735 0.321 0.299 0.750 0.625 N 1.373 Z: 11 4.669 1.422 0.219 0.439 0.900 0.400 CB 1.008 9 residues pruned to eliminate duplicates Z: 22 15.530 1.757 0.549 0.600 0.905 0.524 CB 1.251 22 residues pruned to eliminate duplicates Z: 14 7.312 1.601 0.344 0.448 0.923 0.462 CB 1.076 Z: 8 5.250 1.642 0.760 0.484 0.857 0.571 CB 0.814 Z: 33 11.829 1.749 0.356 0.343 0.938 0.531 CB 1.115 23 residues pruned to eliminate duplicates Z: 20 16.584 1.896 0.519 0.594 0.895 0.526 CB 1.351 20 residues pruned to eliminate duplicates Z: 6 2.200 1.641 0.521 0.247 0.400 0.400 CB 1.319 Z: 6 2.737 1.650 0.004 0.293 0.800 0.600 CB 1.165 Z: 9 6.975 1.865 0.034 0.484 1.000 0.750 CB 1.299 9 residues pruned to eliminate duplicates Z: 10 6.453 1.749 0.200 0.460 0.778 0.444 CB 1.373 Z: 8 8.234 1.634 0.733 0.638 1.000 0.714 CB 0.965 8 residues pruned to eliminate duplicates Z: 8 9.902 1.713 0.577 0.626 1.000 0.714 CB 1.230 7 residues pruned to eliminate duplicates Z: 12 6.601 1.757 0.246 0.387 0.909 0.455 CB 1.127 21 residues pruned to eliminate duplicates Z: 9 5.353 1.724 0.643 0.421 0.625 0.500 CB 1.161 7 residues pruned to eliminate duplicates 7 1.474 1.486 -0.027 0.372 0.833 0.667 N 0.573 ? Z: 18 6.268 1.707 0.189 0.291 0.706 0.529 CB 1.342 18 residues pruned to eliminate duplicates Z: 35 16.374 1.831 0.505 0.444 0.853 0.588 CB 1.265 35 residues pruned to eliminate duplicates Z: 6 3.446 1.731 0.573 0.325 0.800 0.600 CB 0.857 Z: 12 9.811 1.825 0.529 0.691 0.909 0.636 CB 0.978 10 residues pruned to eliminate duplicates Z: 8 3.750 1.643 0.198 0.340 0.714 0.429 CB 1.200 Z: 10 3.681 1.442 0.469 0.237 0.667 0.222 O 1.179 10 residues pruned to eliminate duplicates 8 1.826 1.186 0.406 0.212 0.857 0.571 N 0.679 ? Z: 7 4.737 1.796 0.185 0.460 0.833 0.667 CB 1.136 Z: 9 4.925 1.688 0.143 0.507 0.875 0.375 CB 1.025 9 residues pruned to eliminate duplicates Z: 10 8.951 1.673 0.625 0.600 0.667 0.444 CB 1.496 Z: 15 29.140 1.916 0.819 0.857 1.000 0.500 N 1.648 15 residues pruned to eliminate duplicates Z: 7 3.539 1.353 0.594 0.414 0.833 0.667 CB 0.880 6 1.215 1.367 0.374 0.290 0.800 0.400 CB 0.458 ? Z: 42 14.372 1.778 0.370 0.372 0.902 0.512 CB 1.171 42 residues pruned to eliminate duplicates Z: 7 8.201 1.811 0.495 0.678 0.833 0.500 CA 1.260 7 residues pruned to eliminate duplicates Z: 12 4.454 1.565 0.421 0.208 0.818 0.455 CB 1.043 13 residues pruned to eliminate duplicates Z: 14 5.147 1.720 0.532 0.556 0.846 0.692 CB 0.607 Z: 8 5.506 1.530 0.802 0.462 0.714 0.571 CB 1.098 Z: 6 2.933 1.522 -0.067 0.609 0.800 0.600 CB 1.042 6 residues pruned to eliminate duplicates Z: 11 14.398 1.733 0.961 0.607 0.900 0.700 N 1.345 11 residues pruned to eliminate duplicates Z: 22 15.255 1.805 0.617 0.497 0.857 0.667 CB 1.336 21 residues pruned to eliminate duplicates Z: 12 4.976 1.597 0.484 0.323 0.636 0.364 CB 1.209 12 residues pruned to eliminate duplicates Z: 21 12.319 1.802 0.709 0.376 0.950 0.550 CB 1.074 21 residues pruned to eliminate duplicates Z: 11 5.612 1.814 0.134 0.367 0.800 0.300 CB 1.244 7 residues pruned to eliminate duplicates Z: 8 5.420 1.791 0.093 0.448 1.000 0.571 CB 1.104 8 residues pruned to eliminate duplicates 6 1.648 1.488 -0.101 0.292 0.800 0.400 CB 0.868 ? Z: 8 6.534 1.696 0.142 0.734 0.857 0.571 CB 1.206 8 residues pruned to eliminate duplicates Z: 7 3.196 1.267 0.645 0.533 0.833 0.667 N 0.727 Z: 12 11.093 1.661 0.846 0.601 0.909 0.727 CB 1.090 8 residues pruned to eliminate duplicates Z: 10 4.389 1.421 0.478 0.316 0.778 0.333 O 1.098 Z: 9 10.336 1.767 0.234 0.748 1.000 0.500 CB 1.343 9 residues pruned to eliminate duplicates Z: 14 8.189 1.779 0.494 0.472 0.923 0.615 CB 0.952 16 residues pruned to eliminate duplicates Z: 14 8.682 1.697 0.406 0.530 0.923 0.692 CB 1.061 Z: 6 8.699 1.825 0.428 0.620 1.000 0.800 CB 1.334 7 residues pruned to eliminate duplicates Z: 9 7.266 1.550 0.605 0.645 0.875 0.625 CB 1.030 Z: 6 2.828 1.399 0.499 0.319 0.800 0.400 N 0.920 Z: 8 5.436 1.785 0.326 0.478 0.714 0.571 N 1.243 8 residues pruned to eliminate duplicates Z: 10 4.113 1.658 0.116 0.305 0.889 0.556 CB 1.035 8 residues pruned to eliminate duplicates 6 0.895 1.217 -0.040 0.259 0.600 0.400 CB 0.752 ? Z: 32 28.927 2.045 0.284 0.733 0.968 0.774 CB 1.659 32 residues pruned to eliminate duplicates Z: 10 3.357 1.533 0.313 0.373 0.778 0.556 N 0.819 10 residues pruned to eliminate duplicates Z: 15 9.235 1.794 0.317 0.333 0.857 0.429 N 1.462 14 residues pruned to eliminate duplicates Z: 8 5.627 1.555 0.402 0.405 0.857 0.571 N 1.258 Z: 34 33.081 2.031 0.602 0.709 0.970 0.697 CB 1.510 34 residues pruned to eliminate duplicates Z: 9 9.391 1.760 0.503 0.477 0.875 0.500 N 1.468 9 residues pruned to eliminate duplicates Z: 6 2.852 1.537 0.428 0.300 0.600 0.600 N 1.211 Z: 65 33.464 1.915 0.634 0.577 0.922 0.594 CB 1.346 60 residues pruned to eliminate duplicates Z: 27 16.041 1.877 0.608 0.432 0.846 0.615 CB 1.322 27 residues pruned to eliminate duplicates Z: 6 4.873 1.680 0.502 0.629 0.600 0.400 CB 1.275 6 residues pruned to eliminate duplicates Z: 17 7.251 1.713 0.531 0.408 0.875 0.625 CB 0.871 17 residues pruned to eliminate duplicates Z: 6 2.917 1.721 0.291 0.549 0.800 0.400 CB 0.699 Z: 9 6.457 1.643 0.403 0.617 0.875 0.625 CB 1.014 8 residues pruned to eliminate duplicates Z: 6 6.359 1.679 0.656 0.677 0.800 0.800 CB 1.086 Z: 11 5.650 1.685 0.288 0.344 0.900 0.300 CB 1.084 11 residues pruned to eliminate duplicates Z: 10 4.810 1.531 0.396 0.697 0.889 0.667 CB 0.705 Z: 10 5.968 1.734 0.088 0.504 0.778 0.556 CB 1.351 10 residues pruned to eliminate duplicates Z: 8 3.928 1.570 0.212 0.426 0.714 0.714 CB 1.180 8 residues pruned to eliminate duplicates Z: 6 2.464 1.279 0.672 0.431 1.000 0.600 CB 0.554 5 residues pruned to eliminate duplicates Z: 7 4.246 1.536 0.199 0.592 0.833 0.500 CB 1.035 Z: 19 6.046 1.705 0.377 0.307 0.778 0.389 CB 0.967 19 residues pruned to eliminate duplicates Z: 10 8.643 1.784 0.400 0.539 0.778 0.556 CB 1.428 10 residues pruned to eliminate duplicates Z: 20 8.672 1.902 0.202 0.452 0.895 0.421 CB 1.022 19 residues pruned to eliminate duplicates Z: 9 3.384 1.502 0.172 0.325 0.875 0.500 CB 0.942 9 residues pruned to eliminate duplicates Z: 12 12.488 1.891 0.237 0.807 0.909 0.818 CB 1.355 12 residues pruned to eliminate duplicates Z: 10 12.704 2.025 0.319 0.647 1.000 0.778 CB 1.382 10 residues pruned to eliminate duplicates Z: 9 5.573 1.416 0.645 0.458 0.875 0.625 CA 1.008 Z: 10 4.179 1.547 0.503 0.484 0.667 0.556 N 0.913 Z: 10 2.222 1.494 0.538 0.228 0.444 0.333 CB 0.997 Z: 12 6.659 1.449 0.636 0.236 1.000 0.364 N 1.150 Z: 12 5.561 1.733 0.459 0.369 0.909 0.727 CB 0.839 12 residues pruned to eliminate duplicates Z: 10 9.308 1.848 0.706 0.499 1.000 0.667 CB 0.985 13 residues pruned to eliminate duplicates Z: 10 5.119 1.568 0.837 0.432 0.667 0.667 N 0.954 8 residues pruned to eliminate duplicates Z: 16 13.777 1.888 0.386 0.501 0.933 0.733 CB 1.455 16 residues pruned to eliminate duplicates 8 1.962 1.340 0.224 0.295 0.571 0.286 N 0.996 ? Z: 10 3.618 1.548 0.131 0.231 0.889 0.556 CB 1.060 10 residues pruned to eliminate duplicates Z: 6 4.900 1.363 0.591 0.800 0.800 0.800 CB 0.972 Z: 8 6.945 1.667 0.227 0.723 1.000 0.714 CB 1.050 Z: 11 4.650 1.671 0.177 0.340 0.800 0.700 CB 1.112 11 residues pruned to eliminate duplicates Z: 9 3.684 1.503 0.524 0.341 0.750 0.500 CB 0.902 Z: 28 12.929 1.785 0.289 0.474 0.889 0.519 CB 1.249 28 residues pruned to eliminate duplicates Z: 6 4.169 1.601 0.590 0.273 0.800 0.600 CB 1.184 Z: 8 3.608 1.559 0.812 0.246 0.714 0.571 CB 0.906 8 residues pruned to eliminate duplicates Z: 6 2.302 1.245 0.718 0.440 0.800 0.600 N 0.640 6 residues pruned to eliminate duplicates Z: 6 5.176 1.687 0.496 0.584 0.800 0.800 CB 1.058 6 residues pruned to eliminate duplicates Z: 8 4.847 1.810 0.141 0.478 0.857 0.571 CB 1.059 9 residues pruned to eliminate duplicates Z: 8 3.860 1.548 -0.074 0.522 1.000 0.714 CB 0.996 Z: 10 9.500 1.627 0.515 0.785 0.889 0.889 CB 1.125 9 residues pruned to eliminate duplicates Z: 77 35.268 1.917 0.525 0.580 0.934 0.684 CB 1.371 77 residues pruned to eliminate duplicates Z: 9 7.029 1.483 0.427 0.654 0.875 0.750 N 1.163 Z: 6 8.770 1.629 0.685 0.655 1.000 0.800 CA 1.237 Z: 6 6.375 1.729 0.239 0.699 1.000 0.800 CB 1.110 7 residues pruned to eliminate duplicates Z: 24 18.676 1.935 0.496 0.501 0.957 0.739 CB 1.406 25 residues pruned to eliminate duplicates 8 1.905 1.443 0.051 0.400 0.714 0.286 CB 0.738 ? Z: 10 4.419 1.538 0.284 0.391 0.778 0.444 CB 1.076 11 residues pruned to eliminate duplicates Z: 16 6.640 1.707 0.237 0.375 0.867 0.667 CB 1.071 13 residues pruned to eliminate duplicates Z: 18 10.196 1.810 0.608 0.384 0.765 0.471 CB 1.257 18 residues pruned to eliminate duplicates Z: 27 12.444 1.753 0.550 0.491 0.846 0.615 CB 1.072 27 residues pruned to eliminate duplicates Z: 15 8.441 1.766 0.491 0.455 0.786 0.714 CB 1.141 15 residues pruned to eliminate duplicates Z: 6 2.627 1.393 0.657 0.429 0.800 0.600 N 0.685 Z: 9 5.970 1.528 0.205 0.685 1.000 0.625 CB 0.967 Z: 19 13.328 1.646 0.480 0.538 1.000 0.667 CB 1.242 19 residues pruned to eliminate duplicates Z: 15 7.688 1.657 0.398 0.576 0.857 0.500 CB 0.961 15 residues pruned to eliminate duplicates Z: 9 9.195 1.741 0.246 0.605 1.000 0.750 CB 1.356 10 residues pruned to eliminate duplicates Z: 6 3.667 1.478 0.163 0.586 0.800 0.800 CB 1.098 Z: 12 11.046 1.631 0.417 0.775 0.909 0.364 CB 1.244 12 residues pruned to eliminate duplicates Z: 16 6.418 1.547 0.388 0.523 0.867 0.533 CB 0.870 16 residues pruned to eliminate duplicates Z: 9 5.214 1.361 0.645 0.349 0.875 0.625 C 1.108 6 1.725 1.399 0.234 0.563 0.600 0.400 CB 0.701 ? Z: 22 29.237 1.963 0.644 0.916 0.952 0.905 CB 1.465 22 residues pruned to eliminate duplicates Z: 14 5.824 1.846 0.189 0.450 0.846 0.385 CB 0.916 14 residues pruned to eliminate duplicates Z: 10 11.401 1.670 0.504 0.816 0.889 0.667 CB 1.294 10 residues pruned to eliminate duplicates Z: 17 6.571 1.570 0.387 0.453 0.812 0.500 CB 0.975 17 residues pruned to eliminate duplicates Z: 9 4.297 1.721 0.512 0.300 0.750 0.625 CB 0.974 9 residues pruned to eliminate duplicates Z: 14 20.597 1.880 0.792 0.792 1.000 0.615 CB 1.312 14 residues pruned to eliminate duplicates Z: 9 3.052 1.821 0.553 0.831 1.000 0.375 CB 0.287 9 residues pruned to eliminate duplicates Z: 6 2.074 1.516 0.225 0.403 0.800 0.400 CB 0.691 Z: 11 15.333 1.850 0.674 0.615 1.000 0.700 CB 1.405 11 residues pruned to eliminate duplicates 6 1.962 1.500 -0.003 0.299 0.800 0.600 N 0.918 ? Z: 6 4.291 1.466 0.647 0.524 0.800 0.600 CB 0.970 Z: 14 5.351 1.593 0.152 0.379 0.769 0.385 CB 1.196 14 residues pruned to eliminate duplicates 6 1.366 1.531 0.376 0.100 0.600 0.400 CB 0.805 ? 6 1.995 1.315 0.372 0.462 0.800 0.600 O 0.642 ? Z: 8 6.732 1.680 0.536 0.454 0.857 0.857 CB 1.206 Z: 8 3.849 1.514 0.629 0.212 0.857 0.571 CB 0.966 Z: 6 4.318 1.812 0.247 0.559 1.000 0.600 CB 0.807 Z: 9 6.135 1.677 0.465 0.313 1.000 0.625 CB 1.086 9 residues pruned to eliminate duplicates Z: 20 8.375 1.526 0.374 0.447 0.895 0.579 CB 1.082 20 residues pruned to eliminate duplicates Z: 6 6.275 1.839 0.363 0.724 1.000 0.600 CB 0.915 Z: 7 5.168 1.755 0.165 0.467 0.833 0.500 CB 1.281 Z: 41 19.419 1.833 0.590 0.427 0.900 0.575 CB 1.263 41 residues pruned to eliminate duplicates Z: 18 22.439 1.886 0.506 0.878 1.000 0.882 CB 1.390 18 residues pruned to eliminate duplicates Z: 7 2.475 1.426 0.109 0.343 0.833 0.500 O 0.911 6 residues pruned to eliminate duplicates Z: 10 8.257 1.681 0.602 0.332 0.889 0.444 N 1.382 Z: 7 3.164 1.384 0.370 0.424 0.833 0.333 CB 0.885 Using tripeptides from previous cycle as seeds Z: 11 6.251 1.650 0.217 0.407 0.900 0.500 CB 1.207 Z: 6 3.164 1.604 0.426 0.439 0.800 0.400 CB 0.823 6 residues pruned to eliminate duplicates Z: 9 6.349 1.770 0.208 0.477 0.750 0.375 CB 1.433 9 residues pruned to eliminate duplicates Z: 7 5.859 1.474 0.631 0.543 0.833 0.667 CB 1.145 7 residues pruned to eliminate duplicates Z: 9 8.730 1.777 0.776 0.582 0.625 0.625 N 1.446 9 residues pruned to eliminate duplicates Z: 9 7.533 1.656 0.971 0.532 0.750 0.625 N 1.054 9 residues pruned to eliminate duplicates Z: 19 14.415 1.791 0.689 0.505 0.833 0.667 CB 1.341 38 residues pruned to eliminate duplicates Z: 6 4.097 1.583 0.637 0.369 1.000 0.800 CA 0.814 6 residues pruned to eliminate duplicates Z: 11 12.779 1.848 0.891 0.580 0.900 0.800 CB 1.190 11 residues pruned to eliminate duplicates Z: 24 10.744 1.807 0.665 0.332 0.870 0.522 CB 1.029 24 residues pruned to eliminate duplicates Z: 22 9.793 1.711 0.753 0.358 0.857 0.476 CB 0.969 22 residues pruned to eliminate duplicates Z: 19 10.172 1.797 0.647 0.413 0.833 0.500 CB 1.064 19 residues pruned to eliminate duplicates Z: 13 14.249 1.844 0.848 0.498 0.917 0.750 CB 1.320 13 residues pruned to eliminate duplicates Z: 14 11.401 1.757 0.587 0.471 0.923 0.615 CB 1.265 14 residues pruned to eliminate duplicates Z: 19 11.924 1.873 0.690 0.433 0.944 0.556 CB 1.007 19 residues pruned to eliminate duplicates Z: 15 13.788 1.797 0.830 0.467 0.786 0.714 CB 1.476 15 residues pruned to eliminate duplicates Z: 22 10.387 1.713 0.764 0.303 0.857 0.429 CB 1.090 22 residues pruned to eliminate duplicates Z: 23 11.062 1.739 0.825 0.328 0.818 0.591 CB 1.097 23 residues pruned to eliminate duplicates Z: 7 7.032 1.895 0.179 0.826 1.000 0.667 CB 0.969 7 residues pruned to eliminate duplicates Z: 11 7.015 1.764 0.323 0.627 0.800 0.600 CB 1.054 11 residues pruned to eliminate duplicates Z: 8 9.654 1.885 0.745 0.858 1.000 0.857 CB 0.817 18 residues pruned to eliminate duplicates Z: 6 3.026 1.277 0.580 0.299 1.000 0.600 CA 0.840 Z: 6 6.355 1.654 0.294 0.427 1.000 0.400 CA 1.434 6 residues pruned to eliminate duplicates Z: 13 8.963 1.911 0.267 0.545 0.833 0.500 CB 1.228 13 residues pruned to eliminate duplicates Z: 16 9.499 1.912 0.304 0.543 0.867 0.667 CB 1.088 22 residues pruned to eliminate duplicates Z: 29 7.528 1.798 0.248 0.345 0.821 0.464 CB 0.913 33 residues pruned to eliminate duplicates Z: 6 4.761 1.655 0.191 0.460 1.000 0.400 CB 1.126 Z: 10 10.145 1.689 0.514 0.657 0.889 0.667 CB 1.286 16 residues pruned to eliminate duplicates Z: 15 9.527 1.777 0.514 0.435 0.857 0.643 CB 1.182 16 residues pruned to eliminate duplicates Z: 6 2.689 1.416 0.318 0.420 1.000 0.200 CB 0.700 5 residues pruned to eliminate duplicates Z: 6 2.985 1.275 0.415 0.387 0.800 0.600 O 1.043 6 residues pruned to eliminate duplicates Z: 14 8.592 1.819 0.358 0.548 0.846 0.462 CB 1.087 20 residues pruned to eliminate duplicates Z: 6 5.500 1.628 0.322 0.471 0.800 0.800 N 1.471 5 residues pruned to eliminate duplicates Z: 6 3.043 1.668 -0.212 0.290 1.000 0.600 N 1.310 6 residues pruned to eliminate duplicates Z: 23 8.169 1.710 0.051 0.329 0.864 0.318 CB 1.354 22 residues pruned to eliminate duplicates Z: 6 3.711 1.649 0.145 0.359 0.800 0.400 N 1.279 6 residues pruned to eliminate duplicates Z: 12 7.333 1.820 0.243 0.358 1.000 0.182 CB 1.139 16 residues pruned to eliminate duplicates Z: 7 6.585 1.541 0.584 0.358 1.000 0.500 CB 1.283 7 residues pruned to eliminate duplicates Z: 18 11.874 1.841 0.588 0.552 0.941 0.647 CB 0.994 19 residues pruned to eliminate duplicates Z: 6 4.305 1.481 0.333 0.461 1.000 0.400 CB 1.015 6 residues pruned to eliminate duplicates Z: 17 13.643 1.843 0.658 0.581 0.875 0.688 CB 1.180 17 residues pruned to eliminate duplicates Z: 19 12.018 1.780 0.596 0.501 0.889 0.667 CB 1.121 19 residues pruned to eliminate duplicates Z: 18 13.499 1.808 0.549 0.547 1.000 0.588 CB 1.116 18 residues pruned to eliminate duplicates Z: 6 4.196 1.218 1.157 0.472 1.000 0.800 CA 0.735 6 residues pruned to eliminate duplicates Z: 28 12.227 1.709 0.585 0.477 0.741 0.444 CB 1.200 33 residues pruned to eliminate duplicates Z: 6 3.363 1.330 0.835 0.294 1.000 0.400 O 0.777 6 residues pruned to eliminate duplicates Z: 11 7.366 1.716 0.583 0.530 0.900 0.500 CB 0.924 11 residues pruned to eliminate duplicates Z: 7 2.723 1.688 0.143 0.500 0.667 0.500 CB 0.864 7 residues pruned to eliminate duplicates Z: 9 5.319 1.762 0.289 0.526 0.875 0.500 CB 0.922 9 residues pruned to eliminate duplicates Z: 20 10.415 1.621 0.522 0.469 0.895 0.316 CB 1.117 20 residues pruned to eliminate duplicates Z: 12 8.542 1.699 0.445 0.558 0.909 0.455 CB 1.091 12 residues pruned to eliminate duplicates Z: 14 8.226 1.629 0.543 0.493 0.846 0.385 CB 1.080 14 residues pruned to eliminate duplicates Z: 32 13.793 1.833 0.414 0.395 0.806 0.419 CB 1.324 32 residues pruned to eliminate duplicates Z: 12 7.682 1.611 0.578 0.470 0.818 0.545 CB 1.148 12 residues pruned to eliminate duplicates Z: 20 8.931 1.653 0.581 0.471 0.789 0.526 CB 1.023 20 residues pruned to eliminate duplicates Z: 8 3.122 1.627 0.143 0.480 0.714 0.714 CB 0.906 8 residues pruned to eliminate duplicates Z: 19 8.889 1.807 0.352 0.353 0.889 0.389 CB 1.131 19 residues pruned to eliminate duplicates Z: 17 10.198 1.847 0.581 0.438 0.812 0.438 CB 1.146 17 residues pruned to eliminate duplicates Z: 12 6.603 1.877 0.238 0.432 0.818 0.455 CB 1.123 12 residues pruned to eliminate duplicates Z: 25 12.468 1.939 0.212 0.447 0.833 0.417 CB 1.372 25 residues pruned to eliminate duplicates Z: 10 8.611 1.848 0.416 0.375 0.889 0.556 O 1.410 10 residues pruned to eliminate duplicates Z: 10 5.621 1.754 0.470 0.306 0.778 0.444 O 1.159 10 residues pruned to eliminate duplicates Z: 29 10.596 1.787 0.453 0.340 0.714 0.393 CB 1.286 29 residues pruned to eliminate duplicates Z: 26 12.636 1.862 0.320 0.418 0.880 0.520 CB 1.273 26 residues pruned to eliminate duplicates Z: 24 14.319 1.933 0.359 0.442 0.870 0.522 CB 1.389 24 residues pruned to eliminate duplicates Z: 23 11.440 1.928 0.191 0.425 0.864 0.318 CB 1.329 23 residues pruned to eliminate duplicates Z: 19 12.552 1.965 0.378 0.446 0.833 0.444 CB 1.387 19 residues pruned to eliminate duplicates 8 1.689 1.605 0.720 0.113 0.429 0.286 CB 0.880 ? Z: 17 12.549 2.003 0.417 0.436 0.875 0.500 CB 1.350 17 residues pruned to eliminate duplicates Z: 19 8.317 1.879 0.437 0.334 0.833 0.444 CB 1.045 19 residues pruned to eliminate duplicates Z: 16 8.346 1.822 0.307 0.455 0.800 0.533 CB 1.185 16 residues pruned to eliminate duplicates Z: 13 9.974 1.877 0.270 0.418 1.000 0.583 CB 1.315 13 residues pruned to eliminate duplicates Z: 11 9.990 1.980 0.211 0.423 0.900 0.300 CB 1.586 11 residues pruned to eliminate duplicates Z: 17 11.002 2.039 0.275 0.409 0.750 0.562 CB 1.552 17 residues pruned to eliminate duplicates Z: 14 10.773 1.843 0.194 0.474 1.000 0.308 CB 1.394 14 residues pruned to eliminate duplicates Z: 14 9.017 1.849 0.395 0.463 0.769 0.462 CB 1.309 14 residues pruned to eliminate duplicates Z: 12 10.112 1.937 0.371 0.521 0.818 0.273 CB 1.375 12 residues pruned to eliminate duplicates Z: 9 8.208 1.986 0.137 0.506 0.875 0.375 CB 1.460 9 residues pruned to eliminate duplicates Z: 19 11.136 1.919 0.365 0.375 0.833 0.333 CB 1.375 19 residues pruned to eliminate duplicates Z: 15 15.964 1.854 0.746 0.466 0.929 0.500 CB 1.469 15 residues pruned to eliminate duplicates Z: 12 8.355 1.705 0.807 0.565 0.636 0.455 N 1.207 12 residues pruned to eliminate duplicates Z: 21 10.737 1.795 0.558 0.384 0.850 0.500 CB 1.141 21 residues pruned to eliminate duplicates Z: 11 16.602 1.869 1.041 0.537 0.900 0.700 N 1.475 11 residues pruned to eliminate duplicates Z: 15 12.162 1.885 0.567 0.409 0.786 0.429 CB 1.540 15 residues pruned to eliminate duplicates Z: 12 11.163 1.885 0.906 0.409 0.727 0.545 CB 1.416 12 residues pruned to eliminate duplicates Z: 17 10.472 1.831 0.460 0.340 0.812 0.562 CB 1.435 17 residues pruned to eliminate duplicates Z: 15 14.988 1.855 0.617 0.472 1.000 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 15 12.853 1.877 0.642 0.419 0.857 0.643 CB 1.415 15 residues pruned to eliminate duplicates Z: 13 14.712 1.887 0.846 0.423 0.917 0.583 CB 1.441 13 residues pruned to eliminate duplicates Z: 16 15.532 1.913 0.742 0.472 0.933 0.333 CB 1.326 16 residues pruned to eliminate duplicates Z: 15 17.822 1.921 0.693 0.534 1.000 0.500 CB 1.417 15 residues pruned to eliminate duplicates Z: 7 2.673 1.570 0.167 0.457 0.833 0.667 CB 0.747 Z: 6 6.620 1.687 0.502 0.474 1.000 0.400 CB 1.200 7 residues pruned to eliminate duplicates Z: 6 5.438 1.382 0.447 0.849 1.000 1.000 CB 0.901 6 residues pruned to eliminate duplicates Z: 9 4.710 1.762 0.200 0.353 0.750 0.500 CB 1.231 4 residues pruned to eliminate duplicates Z: 7 8.718 1.592 0.496 0.656 1.000 0.500 CB 1.293 7 residues pruned to eliminate duplicates Z: 8 7.744 1.594 0.479 0.562 0.857 0.429 CB 1.364 9 residues pruned to eliminate duplicates Z: 6 5.764 1.672 0.238 0.442 1.000 0.600 CB 1.322 6 residues pruned to eliminate duplicates Z: 13 8.517 1.805 0.301 0.357 1.000 0.750 CB 1.221 12 residues pruned to eliminate duplicates Z: 7 5.698 1.516 0.642 0.550 0.667 0.333 O 1.336 7 residues pruned to eliminate duplicates Z: 16 9.467 1.799 0.510 0.328 1.000 0.467 CB 1.086 16 residues pruned to eliminate duplicates Z: 6 5.982 1.727 0.184 0.415 1.000 0.600 CB 1.431 6 residues pruned to eliminate duplicates Z: 9 5.115 1.881 0.276 0.567 0.875 0.500 CB 0.807 9 residues pruned to eliminate duplicates Z: 10 4.478 1.811 0.306 0.451 0.889 0.444 CB 0.747 10 residues pruned to eliminate duplicates Z: 9 5.175 1.829 0.297 0.557 1.000 0.625 CB 0.730 9 residues pruned to eliminate duplicates Z: 9 3.973 1.661 0.154 0.629 0.750 0.625 CB 0.865 9 residues pruned to eliminate duplicates Z: 48 20.582 1.844 0.503 0.412 0.936 0.596 CB 1.269 48 residues pruned to eliminate duplicates Z: 8 6.693 1.682 0.444 0.723 1.000 0.571 CB 0.852 7 residues pruned to eliminate duplicates 6 1.553 1.173 0.742 0.155 0.800 0.000 C 0.649 ? Z: 6 2.309 1.595 0.441 0.167 0.800 0.400 CB 0.843 6 residues pruned to eliminate duplicates Z: 23 17.711 1.862 0.493 0.495 0.955 0.727 N 1.430 23 residues pruned to eliminate duplicates Z: 43 25.960 1.896 0.656 0.481 0.929 0.500 CB 1.401 43 residues pruned to eliminate duplicates Z: 24 15.035 1.850 0.424 0.411 0.913 0.478 CB 1.432 24 residues pruned to eliminate duplicates Z: 29 12.749 1.849 0.482 0.356 0.893 0.536 CB 1.151 29 residues pruned to eliminate duplicates Z: 51 12.994 1.847 0.373 0.299 0.820 0.440 CB 1.106 51 residues pruned to eliminate duplicates Z: 41 19.271 1.887 0.469 0.364 0.900 0.575 CB 1.413 41 residues pruned to eliminate duplicates Z: 29 11.951 1.846 0.484 0.358 0.821 0.571 CB 1.170 39 residues pruned to eliminate duplicates Z: 22 11.934 1.926 0.223 0.338 0.905 0.476 CB 1.458 22 residues pruned to eliminate duplicates Z: 22 11.981 1.905 0.411 0.355 0.857 0.381 CB 1.327 22 residues pruned to eliminate duplicates Z: 30 12.892 1.853 0.466 0.326 0.897 0.517 CB 1.190 30 residues pruned to eliminate duplicates Z: 47 31.858 2.006 0.573 0.590 0.935 0.674 CB 1.460 47 residues pruned to eliminate duplicates Z: 40 20.046 1.908 0.482 0.381 0.923 0.538 CB 1.396 40 residues pruned to eliminate duplicates Z: 29 27.670 1.989 0.683 0.627 0.929 0.750 CB 1.494 29 residues pruned to eliminate duplicates Z: 24 16.159 1.958 0.623 0.396 0.826 0.522 CB 1.433 24 residues pruned to eliminate duplicates Z: 42 20.875 1.936 0.564 0.392 0.878 0.537 CB 1.374 42 residues pruned to eliminate duplicates Z: 33 23.473 2.016 0.446 0.548 0.938 0.688 CB 1.449 33 residues pruned to eliminate duplicates Z: 40 24.518 1.963 0.460 0.472 0.923 0.590 CB 1.527 40 residues pruned to eliminate duplicates Z: 26 30.654 2.010 0.667 0.661 1.000 0.880 CB 1.576 26 residues pruned to eliminate duplicates Z: 38 19.658 1.897 0.460 0.390 0.892 0.595 CB 1.470 38 residues pruned to eliminate duplicates Z: 61 19.736 1.851 0.542 0.356 0.850 0.433 CB 1.228 61 residues pruned to eliminate duplicates Z: 51 24.892 1.941 0.480 0.494 0.920 0.660 CB 1.339 51 residues pruned to eliminate duplicates Z: 26 26.496 1.998 0.694 0.626 0.920 0.800 CB 1.512 26 residues pruned to eliminate duplicates Z: 51 29.495 1.948 0.535 0.512 0.960 0.520 CB 1.436 51 residues pruned to eliminate duplicates Z: 30 29.631 1.982 0.780 0.655 0.897 0.793 CB 1.506 30 residues pruned to eliminate duplicates Z: 33 27.261 1.954 0.596 0.666 0.938 0.688 CB 1.414 33 residues pruned to eliminate duplicates Z: 23 23.670 2.001 0.696 0.675 0.955 0.864 CB 1.326 23 residues pruned to eliminate duplicates Z: 45 29.057 1.951 0.620 0.555 0.909 0.682 CB 1.444 45 residues pruned to eliminate duplicates Z: 49 29.067 1.926 0.502 0.594 0.979 0.708 CB 1.355 49 residues pruned to eliminate duplicates Z: 44 29.527 1.987 0.609 0.515 0.953 0.628 CB 1.456 44 residues pruned to eliminate duplicates Z: 46 25.596 1.949 0.536 0.515 0.889 0.667 CB 1.413 46 residues pruned to eliminate duplicates Z: 52 32.055 1.933 0.666 0.593 0.941 0.647 CB 1.356 52 residues pruned to eliminate duplicates Z: 49 29.968 1.965 0.544 0.544 0.979 0.708 CB 1.394 49 residues pruned to eliminate duplicates Z: 30 29.054 1.954 0.846 0.683 0.897 0.724 CB 1.410 30 residues pruned to eliminate duplicates Z: 60 29.988 1.924 0.619 0.529 0.915 0.627 CB 1.330 60 residues pruned to eliminate duplicates Z: 54 32.708 1.943 0.675 0.543 0.962 0.717 CB 1.375 54 residues pruned to eliminate duplicates Z: 32 35.657 1.991 0.756 0.731 0.968 0.742 CB 1.538 32 residues pruned to eliminate duplicates Z: 62 29.942 1.868 0.674 0.527 0.869 0.607 CB 1.375 62 residues pruned to eliminate duplicates Z: 34 35.859 1.991 0.802 0.690 0.939 0.758 CB 1.557 34 residues pruned to eliminate duplicates Z: 35 30.688 1.970 0.774 0.691 0.941 0.794 CB 1.344 35 residues pruned to eliminate duplicates Z: 39 34.998 1.981 0.747 0.665 0.974 0.842 CB 1.447 39 residues pruned to eliminate duplicates Z: 59 28.277 1.897 0.664 0.556 0.845 0.586 CB 1.319 59 residues pruned to eliminate duplicates Z: 57 32.559 1.887 0.693 0.562 0.946 0.643 CB 1.356 57 residues pruned to eliminate duplicates Z: 78 33.062 1.879 0.675 0.509 0.935 0.584 CB 1.269 78 residues pruned to eliminate duplicates Z: 9 6.225 1.582 0.724 0.457 0.875 0.375 N 0.963 9 residues pruned to eliminate duplicates Z: 48 27.345 1.913 0.552 0.536 0.936 0.574 CB 1.385 48 residues pruned to eliminate duplicates Z: 14 8.715 1.735 0.274 0.577 0.923 0.462 CB 1.100 14 residues pruned to eliminate duplicates Z: 18 11.149 1.972 0.203 0.611 0.824 0.706 CB 1.245 18 residues pruned to eliminate duplicates Z: 20 12.436 1.926 0.260 0.572 0.895 0.474 CB 1.226 20 residues pruned to eliminate duplicates Z: 24 16.643 1.892 0.365 0.565 0.913 0.609 CB 1.382 24 residues pruned to eliminate duplicates Z: 102 30.535 1.898 0.425 0.506 0.901 0.604 CB 1.240 102 residues pruned to eliminate duplicates Z: 24 15.802 1.964 0.269 0.529 0.957 0.522 CB 1.343 24 residues pruned to eliminate duplicates Z: 21 14.363 1.924 0.417 0.568 0.900 0.550 CB 1.226 21 residues pruned to eliminate duplicates Z: 34 16.370 1.937 0.350 0.507 0.879 0.545 CB 1.232 34 residues pruned to eliminate duplicates Z: 20 16.421 1.946 0.395 0.626 0.895 0.421 CB 1.376 20 residues pruned to eliminate duplicates Z: 37 20.351 1.917 0.459 0.532 0.944 0.556 CB 1.244 37 residues pruned to eliminate duplicates Z: 38 15.864 1.894 0.233 0.521 0.892 0.541 CB 1.226 38 residues pruned to eliminate duplicates Z: 35 15.522 1.919 0.461 0.499 0.853 0.500 CB 1.114 35 residues pruned to eliminate duplicates Z: 33 12.765 1.851 0.496 0.419 0.875 0.500 CB 1.014 33 residues pruned to eliminate duplicates Z: 35 11.568 1.839 0.399 0.381 0.824 0.412 CB 1.063 35 residues pruned to eliminate duplicates Z: 24 10.278 1.910 0.394 0.374 0.913 0.565 CB 1.008 24 residues pruned to eliminate duplicates Z: 37 13.800 1.782 0.364 0.395 0.917 0.361 CB 1.153 37 residues pruned to eliminate duplicates Z: 33 17.073 1.910 0.416 0.493 0.938 0.531 CB 1.199 33 residues pruned to eliminate duplicates Z: 71 33.617 1.935 0.608 0.582 0.971 0.514 CB 1.229 72 residues pruned to eliminate duplicates Z: 6 4.271 1.506 0.240 0.461 1.000 0.200 N 1.064 6 residues pruned to eliminate duplicates Z: 38 18.413 1.897 0.440 0.484 0.919 0.432 CB 1.225 38 residues pruned to eliminate duplicates Z: 35 19.808 1.957 0.537 0.537 0.882 0.559 CB 1.234 35 residues pruned to eliminate duplicates Z: 38 17.196 1.871 0.527 0.458 0.865 0.405 CB 1.194 38 residues pruned to eliminate duplicates Z: 13 8.821 1.965 0.524 0.447 1.000 0.333 CB 0.898 13 residues pruned to eliminate duplicates Z: 37 13.834 1.877 0.408 0.466 0.861 0.528 CB 1.049 37 residues pruned to eliminate duplicates Z: 12 6.643 1.945 0.350 0.428 0.818 0.364 CB 1.005 12 residues pruned to eliminate duplicates Z: 30 12.036 1.870 0.738 0.330 0.828 0.517 CB 1.001 30 residues pruned to eliminate duplicates Z: 34 19.047 1.955 0.422 0.527 0.879 0.697 CB 1.322 34 residues pruned to eliminate duplicates Z: 12 8.354 1.929 0.328 0.426 1.000 0.818 CB 1.063 12 residues pruned to eliminate duplicates Z: 13 8.451 1.813 0.491 0.503 1.000 0.833 CB 0.900 13 residues pruned to eliminate duplicates Z: 27 12.381 1.850 0.483 0.392 0.885 0.577 CB 1.121 27 residues pruned to eliminate duplicates Z: 14 10.459 1.900 0.537 0.567 0.923 0.692 CB 1.009 14 residues pruned to eliminate duplicates Z: 38 15.752 1.846 0.430 0.464 0.865 0.432 CB 1.177 38 residues pruned to eliminate duplicates Z: 15 10.837 1.840 0.553 0.527 0.929 0.714 CB 1.062 15 residues pruned to eliminate duplicates Z: 19 8.686 1.836 0.599 0.471 0.833 0.611 CB 0.862 19 residues pruned to eliminate duplicates Z: 55 29.906 2.003 0.388 0.601 0.926 0.648 CB 1.435 55 residues pruned to eliminate duplicates Z: 12 8.550 1.925 0.279 0.538 0.818 0.545 N 1.232 17 residues pruned to eliminate duplicates Z: 6 2.464 1.561 0.701 0.288 0.600 0.400 N 0.878 6 residues pruned to eliminate duplicates Z: 26 19.849 1.934 0.628 0.453 0.880 0.560 N 1.503 26 residues pruned to eliminate duplicates Z: 25 19.723 1.940 0.575 0.456 0.958 0.583 CB 1.439 25 residues pruned to eliminate duplicates Z: 25 18.239 1.916 0.683 0.506 0.875 0.583 CB 1.311 25 residues pruned to eliminate duplicates Z: 24 16.534 1.919 0.409 0.400 0.957 0.435 CB 1.482 24 residues pruned to eliminate duplicates Z: 27 16.137 1.886 0.565 0.344 0.885 0.462 CB 1.435 27 residues pruned to eliminate duplicates Z: 25 15.482 1.880 0.650 0.399 0.875 0.458 CB 1.295 25 residues pruned to eliminate duplicates Z: 22 19.751 1.999 0.533 0.482 1.000 0.667 CB 1.432 22 residues pruned to eliminate duplicates Z: 25 17.997 1.949 0.587 0.386 0.958 0.500 CB 1.399 25 residues pruned to eliminate duplicates Z: 23 17.578 1.992 0.487 0.419 0.955 0.545 CB 1.442 23 residues pruned to eliminate duplicates Z: 25 15.924 1.938 0.509 0.442 0.917 0.542 CB 1.287 25 residues pruned to eliminate duplicates Z: 26 17.614 1.887 0.632 0.432 0.920 0.640 CB 1.333 26 residues pruned to eliminate duplicates Z: 55 35.084 1.977 0.477 0.625 0.944 0.722 CB 1.539 55 residues pruned to eliminate duplicates Z: 26 15.418 1.906 0.551 0.388 0.920 0.520 CB 1.277 26 residues pruned to eliminate duplicates Z: 24 15.365 1.906 0.590 0.410 0.870 0.565 CB 1.336 24 residues pruned to eliminate duplicates Z: 25 15.832 1.897 0.580 0.426 0.917 0.542 CB 1.271 25 residues pruned to eliminate duplicates Z: 21 16.814 1.959 0.523 0.515 0.900 0.650 CB 1.380 21 residues pruned to eliminate duplicates Z: 22 13.617 1.898 0.345 0.439 0.905 0.714 CB 1.370 22 residues pruned to eliminate duplicates Z: 23 20.032 1.968 0.555 0.483 0.955 0.636 CB 1.486 23 residues pruned to eliminate duplicates Z: 48 27.648 1.995 0.349 0.533 0.957 0.660 CB 1.515 48 residues pruned to eliminate duplicates Z: 35 28.165 2.004 0.285 0.703 0.971 0.706 CB 1.607 35 residues pruned to eliminate duplicates Z: 58 28.498 1.941 0.434 0.562 0.860 0.719 CB 1.485 58 residues pruned to eliminate duplicates Z: 28 26.177 2.019 0.439 0.704 0.926 0.741 CB 1.555 28 residues pruned to eliminate duplicates Z: 33 30.572 2.051 0.287 0.771 1.000 0.750 CB 1.611 33 residues pruned to eliminate duplicates Z: 53 35.263 2.033 0.451 0.629 0.962 0.788 CB 1.527 53 residues pruned to eliminate duplicates Z: 53 29.504 1.957 0.554 0.508 0.923 0.596 CB 1.445 53 residues pruned to eliminate duplicates Z: 54 31.304 1.998 0.501 0.569 0.981 0.774 CB 1.368 54 residues pruned to eliminate duplicates Z: 55 34.731 2.003 0.482 0.593 0.963 0.630 CB 1.513 55 residues pruned to eliminate duplicates Z: 31 31.485 2.066 0.479 0.740 0.933 0.833 CB 1.625 31 residues pruned to eliminate duplicates Z: 55 34.467 1.992 0.456 0.620 0.963 0.778 CB 1.500 55 residues pruned to eliminate duplicates Z: 34 30.389 2.029 0.434 0.682 0.970 0.788 CB 1.586 34 residues pruned to eliminate duplicates Z: 38 29.621 2.012 0.398 0.636 0.946 0.622 CB 1.612 38 residues pruned to eliminate duplicates Z: 52 29.846 2.009 0.435 0.584 0.961 0.686 CB 1.392 52 residues pruned to eliminate duplicates Z: 35 30.954 2.010 0.498 0.677 0.971 0.735 CB 1.544 35 residues pruned to eliminate duplicates Z: 36 28.173 1.987 0.500 0.642 0.914 0.714 CB 1.531 36 residues pruned to eliminate duplicates Z: 35 28.393 2.016 0.414 0.682 1.000 0.765 CB 1.445 35 residues pruned to eliminate duplicates Z: 39 33.460 1.950 0.717 0.654 0.947 0.763 CB 1.482 39 residues pruned to eliminate duplicates Z: 32 29.297 2.065 0.469 0.670 0.935 0.677 CB 1.585 32 residues pruned to eliminate duplicates Z: 35 30.590 2.035 0.383 0.730 0.941 0.765 CB 1.610 35 residues pruned to eliminate duplicates Z: 32 30.391 2.082 0.424 0.696 0.968 0.871 CB 1.591 32 residues pruned to eliminate duplicates Z: 35 26.827 2.022 0.377 0.612 0.971 0.706 CB 1.531 35 residues pruned to eliminate duplicates Z: 35 32.257 2.056 0.460 0.685 0.941 0.735 CB 1.652 35 residues pruned to eliminate duplicates Z: 36 28.861 1.988 0.534 0.684 0.914 0.600 CB 1.478 36 residues pruned to eliminate duplicates Z: 34 32.020 2.032 0.416 0.732 0.970 0.788 CB 1.622 34 residues pruned to eliminate duplicates Z: 37 33.502 1.985 0.480 0.729 0.972 0.750 CB 1.591 37 residues pruned to eliminate duplicates Z: 54 30.871 1.991 0.396 0.564 0.962 0.717 CB 1.490 54 residues pruned to eliminate duplicates Z: 36 31.838 2.002 0.496 0.696 0.943 0.743 CB 1.593 36 residues pruned to eliminate duplicates Z: 32 36.717 2.058 0.513 0.770 1.000 0.806 CB 1.666 32 residues pruned to eliminate duplicates Z: 35 33.005 2.043 0.514 0.736 0.971 0.765 CB 1.526 35 residues pruned to eliminate duplicates Z: 32 32.806 2.062 0.537 0.737 0.968 0.806 CB 1.553 32 residues pruned to eliminate duplicates Z: 61 29.200 1.912 0.494 0.540 0.900 0.667 CB 1.410 61 residues pruned to eliminate duplicates Z: 44 29.161 1.997 0.467 0.659 0.930 0.767 CB 1.407 44 residues pruned to eliminate duplicates Z: 44 33.286 1.973 0.666 0.674 0.930 0.721 CB 1.414 44 residues pruned to eliminate duplicates Z: 46 35.184 1.968 0.573 0.711 0.956 0.733 CB 1.465 46 residues pruned to eliminate duplicates Z: 13 7.394 1.730 0.313 0.684 0.833 0.583 CB 0.952 13 residues pruned to eliminate duplicates Z: 66 26.895 1.914 0.374 0.545 0.938 0.631 CB 1.294 66 residues pruned to eliminate duplicates Z: 43 32.867 1.991 0.496 0.700 1.000 0.762 CB 1.419 43 residues pruned to eliminate duplicates Z: 44 34.524 1.997 0.549 0.705 0.953 0.698 CB 1.482 44 residues pruned to eliminate duplicates Z: 12 8.017 1.661 0.289 0.633 0.818 0.545 CB 1.217 12 residues pruned to eliminate duplicates Z: 47 33.263 1.954 0.488 0.688 0.978 0.717 CB 1.452 47 residues pruned to eliminate duplicates Z: 26 16.879 1.846 0.447 0.560 0.880 0.600 CB 1.356 26 residues pruned to eliminate duplicates Z: 56 29.332 1.925 0.470 0.584 0.945 0.691 CB 1.365 56 residues pruned to eliminate duplicates Z: 57 33.758 2.005 0.487 0.626 0.964 0.714 CB 1.394 57 residues pruned to eliminate duplicates Z: 58 33.223 1.969 0.487 0.623 0.912 0.649 CB 1.467 58 residues pruned to eliminate duplicates Z: 12 11.224 2.001 0.452 0.397 0.909 0.455 CB 1.429 12 residues pruned to eliminate duplicates Z: 12 10.426 1.976 0.374 0.491 1.000 0.636 CB 1.168 12 residues pruned to eliminate duplicates Z: 51 36.800 1.991 0.506 0.725 0.980 0.800 CB 1.446 51 residues pruned to eliminate duplicates Z: 12 7.711 1.971 0.173 0.411 0.818 0.455 CB 1.348 12 residues pruned to eliminate duplicates Z: 16 7.225 1.785 0.432 0.362 0.800 0.533 CB 1.059 16 residues pruned to eliminate duplicates Z: 12 9.901 2.028 0.444 0.400 0.818 0.455 CB 1.385 12 residues pruned to eliminate duplicates Z: 21 15.142 1.891 0.616 0.597 0.850 0.400 CB 1.188 21 residues pruned to eliminate duplicates Z: 54 33.445 1.966 0.579 0.570 0.925 0.491 CB 1.497 54 residues pruned to eliminate duplicates Z: 53 31.687 1.940 0.536 0.623 0.942 0.692 CB 1.393 53 residues pruned to eliminate duplicates Z: 33 17.618 1.865 0.406 0.516 0.938 0.562 CB 1.246 33 residues pruned to eliminate duplicates Z: 21 13.584 1.885 0.697 0.428 0.850 0.400 CB 1.204 21 residues pruned to eliminate duplicates Z: 19 9.035 1.750 0.413 0.372 0.944 0.444 CB 1.046 19 residues pruned to eliminate duplicates Z: 28 15.730 1.879 0.674 0.449 0.889 0.481 CB 1.141 28 residues pruned to eliminate duplicates Z: 16 10.858 1.824 0.592 0.539 0.867 0.533 CB 1.072 16 residues pruned to eliminate duplicates Z: 41 22.413 1.849 0.643 0.513 0.925 0.575 CB 1.245 39 residues pruned to eliminate duplicates Z: 6 3.265 1.303 0.433 0.422 1.000 0.800 CB 0.848 6 residues pruned to eliminate duplicates Z: 75 34.063 1.927 0.506 0.595 0.905 0.635 CB 1.376 75 residues pruned to eliminate duplicates Z: 68 34.766 1.924 0.639 0.555 0.940 0.493 CB 1.358 68 residues pruned to eliminate duplicates Z: 72 37.667 1.948 0.564 0.630 0.944 0.718 CB 1.376 72 residues pruned to eliminate duplicates Z: 39 25.018 1.906 0.574 0.589 0.974 0.579 CB 1.276 40 residues pruned to eliminate duplicates Z: 8 8.473 1.511 0.652 0.564 1.000 0.286 CA 1.205 8 residues pruned to eliminate duplicates Z: 7 11.739 1.505 1.271 0.821 0.833 0.667 N 1.274 7 residues pruned to eliminate duplicates Z: 7 8.824 1.506 1.242 0.743 0.667 0.500 O 1.287 7 residues pruned to eliminate duplicates Z: 11 10.334 1.703 0.849 0.539 0.800 0.500 CB 1.249 11 residues pruned to eliminate duplicates Z: 9 11.647 1.789 0.970 0.504 0.875 0.250 CB 1.330 9 residues pruned to eliminate duplicates Z: 10 5.953 1.762 0.309 0.407 0.778 0.444 CB 1.220 Z: 6 2.214 1.380 0.166 0.264 0.800 0.600 N 1.007 6 residues pruned to eliminate duplicates Z: 22 9.174 1.703 0.776 0.381 0.810 0.524 CB 0.928 22 residues pruned to eliminate duplicates Z: 6 2.659 1.873 0.502 0.297 1.000 0.600 CB 0.530 Z: 7 4.521 1.473 0.842 0.474 0.667 0.500 CA 1.048 5 residues pruned to eliminate duplicates Z: 6 2.922 1.640 0.411 0.443 0.600 0.600 CB 0.998 6 residues pruned to eliminate duplicates Z: 14 3.259 1.610 0.429 0.251 0.692 0.308 CB 0.756 8 residues pruned to eliminate duplicates Z: 6 2.351 1.373 0.226 0.264 0.800 0.600 CB 1.022 7 1.808 1.419 0.429 0.273 0.667 0.667 CA 0.706 ? Z: 6 3.936 1.277 0.992 0.468 1.000 0.800 N 0.714 Z: 7 2.388 1.175 0.592 0.277 0.833 0.333 N 0.805 Z: 7 8.020 1.608 0.944 0.454 0.833 0.500 CB 1.317 Z: 6 4.142 1.500 0.650 0.349 1.000 0.800 N 0.881 Z: 6 2.451 1.298 0.629 0.400 0.600 0.400 O 0.960 6 residues pruned to eliminate duplicates Z: 9 8.147 1.693 0.487 0.561 0.875 0.750 CB 1.232 9 residues pruned to eliminate duplicates Z: 9 8.564 1.662 0.722 0.535 0.875 0.500 CB 1.168 9 residues pruned to eliminate duplicates Z: 6 3.360 1.674 0.373 0.304 0.800 0.200 CB 1.016 6 residues pruned to eliminate duplicates Z: 6 7.978 1.794 0.476 0.489 1.000 0.400 CB 1.362 6 residues pruned to eliminate duplicates Z: 7 6.384 1.438 0.571 0.443 1.000 0.667 N 1.224 7 residues pruned to eliminate duplicates Z: 24 14.131 1.781 0.562 0.446 0.870 0.565 CB 1.288 24 residues pruned to eliminate duplicates Z: 43 23.031 1.861 0.578 0.552 0.929 0.643 CB 1.238 43 residues pruned to eliminate duplicates Z: 37 16.173 1.786 0.546 0.457 0.861 0.500 CB 1.185 37 residues pruned to eliminate duplicates Z: 45 19.547 1.795 0.557 0.499 0.864 0.659 CB 1.222 45 residues pruned to eliminate duplicates Z: 29 18.485 1.805 0.589 0.509 0.929 0.643 CB 1.300 29 residues pruned to eliminate duplicates Z: 32 24.213 1.832 0.478 0.724 0.968 0.710 CB 1.356 32 residues pruned to eliminate duplicates Z: 18 12.268 1.860 0.220 0.589 1.000 0.706 CB 1.205 18 residues pruned to eliminate duplicates Z: 22 16.256 1.873 0.426 0.570 0.905 0.714 CB 1.371 22 residues pruned to eliminate duplicates Z: 19 16.545 1.889 0.513 0.650 1.000 0.833 CB 1.187 19 residues pruned to eliminate duplicates Z: 19 13.070 1.812 0.493 0.515 0.944 0.667 CB 1.188 19 residues pruned to eliminate duplicates Z: 19 13.607 1.867 0.450 0.563 0.944 0.667 CB 1.180 19 residues pruned to eliminate duplicates Z: 20 17.765 1.890 0.632 0.659 1.000 0.789 CB 1.140 20 residues pruned to eliminate duplicates Z: 17 8.246 1.841 0.104 0.480 1.000 0.688 CB 1.035 17 residues pruned to eliminate duplicates Z: 30 23.056 1.894 0.465 0.784 0.966 0.897 CB 1.244 30 residues pruned to eliminate duplicates Z: 20 10.102 1.855 0.236 0.527 0.895 0.632 CB 1.099 20 residues pruned to eliminate duplicates Z: 22 17.027 1.838 0.590 0.546 0.952 0.619 CB 1.276 22 residues pruned to eliminate duplicates Z: 28 19.058 1.861 0.522 0.690 0.889 0.704 CB 1.224 28 residues pruned to eliminate duplicates Z: 66 25.948 1.837 0.556 0.563 0.892 0.692 CB 1.187 69 residues pruned to eliminate duplicates Z: 22 24.487 1.837 0.549 0.902 1.000 0.857 CB 1.339 22 residues pruned to eliminate duplicates Z: 23 16.138 1.873 0.419 0.586 0.955 0.727 CB 1.249 23 residues pruned to eliminate duplicates Z: 19 17.456 1.861 0.564 0.599 1.000 0.778 CB 1.286 19 residues pruned to eliminate duplicates Z: 31 26.679 1.915 0.541 0.783 0.967 0.800 CB 1.331 30 residues pruned to eliminate duplicates Z: 21 27.030 1.907 0.691 0.893 1.000 0.900 CB 1.345 21 residues pruned to eliminate duplicates Z: 22 27.324 1.831 0.745 0.867 1.000 0.810 CB 1.365 21 residues pruned to eliminate duplicates Z: 19 24.085 1.927 0.744 0.898 0.944 0.667 CB 1.280 19 residues pruned to eliminate duplicates Z: 32 24.411 1.861 0.703 0.686 0.903 0.645 CB 1.291 32 residues pruned to eliminate duplicates Z: 31 23.341 1.849 0.619 0.653 0.933 0.767 CB 1.323 32 residues pruned to eliminate duplicates Z: 21 23.255 1.855 0.556 0.883 1.000 0.650 CB 1.302 21 residues pruned to eliminate duplicates Z: 19 25.100 1.945 0.633 0.906 1.000 0.833 CB 1.324 19 residues pruned to eliminate duplicates Z: 29 22.413 1.888 0.505 0.740 0.929 0.714 CB 1.295 28 residues pruned to eliminate duplicates Z: 22 22.003 1.814 0.602 0.851 0.952 0.619 CB 1.284 22 residues pruned to eliminate duplicates Z: 22 22.956 1.846 0.470 0.857 1.000 0.667 CB 1.360 22 residues pruned to eliminate duplicates Z: 31 25.739 1.877 0.543 0.735 0.967 0.867 CB 1.359 31 residues pruned to eliminate duplicates Z: 6 2.442 1.601 0.473 0.334 0.600 0.200 O 0.925 6 residues pruned to eliminate duplicates Z: 16 9.116 1.749 0.440 0.548 0.800 0.600 CB 1.115 22 residues pruned to eliminate duplicates Z: 15 11.321 1.798 0.266 0.721 0.929 0.643 CB 1.173 15 residues pruned to eliminate duplicates Z: 18 16.287 1.883 0.470 0.646 1.000 0.529 CB 1.245 18 residues pruned to eliminate duplicates Z: 14 11.645 1.766 0.402 0.640 1.000 0.538 CB 1.144 14 residues pruned to eliminate duplicates Z: 26 14.064 1.888 0.456 0.479 0.840 0.480 CB 1.245 26 residues pruned to eliminate duplicates Z: 15 12.981 1.824 0.386 0.678 0.929 0.571 CB 1.254 15 residues pruned to eliminate duplicates Z: 17 13.367 1.925 0.461 0.695 0.875 0.688 CB 1.136 17 residues pruned to eliminate duplicates Z: 16 11.097 1.810 0.339 0.616 0.867 0.533 CB 1.222 16 residues pruned to eliminate duplicates Z: 16 11.277 1.850 0.424 0.667 0.800 0.533 CB 1.184 16 residues pruned to eliminate duplicates Z: 22 13.794 1.696 0.491 0.542 1.000 0.619 CB 1.143 22 residues pruned to eliminate duplicates Z: 27 15.550 1.797 0.564 0.487 0.885 0.500 CB 1.243 27 residues pruned to eliminate duplicates Z: 32 12.510 1.743 0.491 0.445 0.871 0.484 CB 1.050 32 residues pruned to eliminate duplicates Z: 25 14.099 1.827 0.364 0.547 0.833 0.375 CB 1.323 25 residues pruned to eliminate duplicates Z: 49 25.756 1.841 0.492 0.656 0.938 0.604 CB 1.249 49 residues pruned to eliminate duplicates Z: 31 13.670 1.848 0.458 0.394 0.900 0.433 CB 1.151 31 residues pruned to eliminate duplicates Z: 26 16.581 1.864 0.554 0.522 0.880 0.480 CB 1.273 26 residues pruned to eliminate duplicates Z: 21 11.473 1.904 0.723 0.501 0.700 0.300 CB 1.115 21 residues pruned to eliminate duplicates Z: 26 16.787 1.869 0.637 0.500 0.880 0.520 CB 1.247 26 residues pruned to eliminate duplicates Z: 16 7.774 1.784 0.542 0.208 0.800 0.333 CB 1.288 16 residues pruned to eliminate duplicates Z: 13 6.515 1.831 0.352 0.201 0.833 0.250 CB 1.299 13 residues pruned to eliminate duplicates Z: 25 13.390 1.883 0.465 0.501 0.750 0.458 CB 1.320 25 residues pruned to eliminate duplicates Z: 20 9.651 1.846 0.383 0.275 0.947 0.421 CB 1.181 20 residues pruned to eliminate duplicates Z: 10 7.377 1.873 0.611 0.273 0.778 0.222 CB 1.355 10 residues pruned to eliminate duplicates Z: 21 9.947 1.853 0.420 0.310 0.850 0.400 CB 1.228 21 residues pruned to eliminate duplicates Z: 26 12.729 1.854 0.626 0.380 0.880 0.520 CB 1.091 26 residues pruned to eliminate duplicates Z: 21 11.050 1.811 0.526 0.372 0.850 0.550 CB 1.206 21 residues pruned to eliminate duplicates Z: 38 16.637 1.874 0.324 0.474 0.892 0.514 CB 1.269 38 residues pruned to eliminate duplicates Z: 38 19.157 1.833 0.525 0.481 0.892 0.568 CB 1.287 38 residues pruned to eliminate duplicates Z: 21 11.362 1.815 0.435 0.300 0.900 0.350 CB 1.354 21 residues pruned to eliminate duplicates Z: 7 3.626 1.771 -0.053 0.507 0.833 0.333 CB 1.051 7 residues pruned to eliminate duplicates Z: 15 8.423 1.815 0.307 0.394 0.857 0.357 CB 1.238 15 residues pruned to eliminate duplicates Z: 15 8.747 1.759 0.408 0.494 0.857 0.643 CB 1.108 15 residues pruned to eliminate duplicates Z: 17 9.224 1.798 0.623 0.416 0.812 0.438 CB 1.062 17 residues pruned to eliminate duplicates Z: 16 8.729 1.750 0.455 0.451 0.733 0.533 CB 1.268 16 residues pruned to eliminate duplicates Z: 16 7.281 1.751 0.317 0.327 0.733 0.400 CB 1.344 11 residues pruned to eliminate duplicates Z: 6 3.479 1.400 0.570 0.298 0.800 0.200 N 1.109 6 residues pruned to eliminate duplicates Z: 11 8.340 1.870 0.137 0.471 0.900 0.500 CB 1.419 11 residues pruned to eliminate duplicates Z: 14 8.633 1.760 0.304 0.346 1.000 0.462 CB 1.232 16 residues pruned to eliminate duplicates Z: 6 4.512 1.247 0.662 0.675 0.800 0.400 O 1.036 Z: 6 5.638 1.346 0.454 0.701 1.000 0.800 CA 1.072 10 residues pruned to eliminate duplicates Z: 9 5.885 1.280 0.711 0.657 1.000 0.875 N 0.821 7 residues pruned to eliminate duplicates Z: 7 4.211 1.529 0.402 0.435 0.833 0.333 N 1.029 7 residues pruned to eliminate duplicates Z: 11 5.655 1.697 0.398 0.314 0.700 0.400 CB 1.323 11 residues pruned to eliminate duplicates Z: 7 8.212 1.849 0.368 0.478 1.000 0.833 N 1.355 8 residues pruned to eliminate duplicates Z: 6 2.127 1.524 0.337 0.270 0.600 0.600 CB 1.011 5 residues pruned to eliminate duplicates Z: 6 3.852 1.540 0.562 0.258 0.800 0.400 N 1.182 6 residues pruned to eliminate duplicates Z: 14 9.232 1.615 0.559 0.446 0.846 0.462 CB 1.271 6 residues pruned to eliminate duplicates Z: 7 3.370 1.344 0.583 0.475 1.000 0.667 N 0.663 7 residues pruned to eliminate duplicates Z: 15 9.539 1.710 0.363 0.359 1.000 0.571 CB 1.274 15 residues pruned to eliminate duplicates Z: 15 10.477 1.697 0.525 0.389 1.000 0.500 CB 1.217 15 residues pruned to eliminate duplicates Z: 13 3.591 1.699 0.359 0.257 0.833 0.500 CB 0.712 13 residues pruned to eliminate duplicates Z: 26 11.328 1.643 0.330 0.424 0.920 0.600 CB 1.219 26 residues pruned to eliminate duplicates Z: 13 9.586 1.704 0.445 0.282 1.000 0.583 N 1.436 13 residues pruned to eliminate duplicates Z: 22 11.995 1.670 0.603 0.446 0.952 0.714 CB 1.085 28 residues pruned to eliminate duplicates Z: 6 6.047 1.453 0.651 0.489 1.000 0.600 N 1.140 Z: 9 6.267 1.615 0.530 0.508 0.875 0.750 CB 1.017 7 residues pruned to eliminate duplicates Z: 19 16.104 1.859 0.287 0.795 1.000 0.778 CB 1.224 19 residues pruned to eliminate duplicates Z: 18 23.719 1.881 0.607 0.850 1.000 0.765 CB 1.409 18 residues pruned to eliminate duplicates Z: 18 20.629 1.885 0.494 0.891 0.941 0.706 CB 1.357 18 residues pruned to eliminate duplicates Z: 42 19.456 1.795 0.394 0.630 0.927 0.561 CB 1.159 44 residues pruned to eliminate duplicates Z: 18 18.075 1.845 0.431 0.896 1.000 0.941 CB 1.190 18 residues pruned to eliminate duplicates Z: 21 17.136 1.862 0.502 0.767 0.850 0.600 CB 1.272 21 residues pruned to eliminate duplicates Z: 20 21.419 1.849 0.588 0.812 0.947 0.737 CB 1.347 20 residues pruned to eliminate duplicates Z: 21 19.505 1.820 0.529 0.780 0.950 0.750 CB 1.289 21 residues pruned to eliminate duplicates Z: 19 18.698 1.918 0.488 0.830 1.000 0.778 CB 1.161 19 residues pruned to eliminate duplicates Z: 42 21.740 1.796 0.465 0.624 0.951 0.610 CB 1.207 42 residues pruned to eliminate duplicates Z: 18 20.402 1.927 0.541 0.857 0.941 0.706 CB 1.305 18 residues pruned to eliminate duplicates Z: 26 19.702 1.846 0.665 0.751 0.840 0.680 CB 1.220 26 residues pruned to eliminate duplicates Z: 29 19.747 1.824 0.558 0.679 0.821 0.571 CB 1.356 29 residues pruned to eliminate duplicates Z: 24 22.541 1.836 0.591 0.761 0.957 0.739 CB 1.334 24 residues pruned to eliminate duplicates Z: 19 17.598 1.908 0.568 0.756 0.889 0.722 CB 1.242 19 residues pruned to eliminate duplicates Z: 24 18.176 1.858 0.465 0.748 0.913 0.652 CB 1.221 24 residues pruned to eliminate duplicates Z: 12 4.646 1.510 0.426 0.392 0.636 0.273 N 1.145 12 residues pruned to eliminate duplicates Z: 10 4.343 1.456 0.065 0.495 0.889 0.222 CB 1.055 10 residues pruned to eliminate duplicates Z: 55 17.730 1.736 0.309 0.486 0.907 0.481 CB 1.186 55 residues pruned to eliminate duplicates Z: 35 20.510 1.793 0.646 0.649 0.912 0.559 CB 1.138 37 residues pruned to eliminate duplicates Z: 12 14.133 1.745 0.301 0.853 1.000 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 9 6.157 1.692 0.064 0.657 0.875 0.500 CB 1.194 9 residues pruned to eliminate duplicates Z: 17 11.690 1.798 0.402 0.633 0.938 0.438 CB 1.091 14 residues pruned to eliminate duplicates Z: 12 6.170 1.620 0.406 0.710 0.727 0.455 CB 0.928 12 residues pruned to eliminate duplicates Z: 17 11.889 1.742 0.649 0.665 0.875 0.438 CB 1.016 17 residues pruned to eliminate duplicates Z: 36 23.079 1.825 0.607 0.684 0.943 0.600 CB 1.192 36 residues pruned to eliminate duplicates Z: 35 19.393 1.791 0.532 0.634 0.853 0.676 CB 1.253 35 residues pruned to eliminate duplicates Z: 23 13.231 1.763 0.627 0.553 0.909 0.455 CB 1.027 16 residues pruned to eliminate duplicates Z: 13 14.024 1.802 0.458 0.851 0.917 0.417 CB 1.244 13 residues pruned to eliminate duplicates Z: 18 12.661 1.823 0.666 0.586 0.941 0.412 CB 0.989 18 residues pruned to eliminate duplicates Z: 33 15.033 1.742 0.708 0.430 0.844 0.375 CB 1.138 33 residues pruned to eliminate duplicates Z: 6 8.133 1.803 0.909 0.479 1.000 0.600 CB 1.079 6 residues pruned to eliminate duplicates Z: 17 12.909 1.800 0.557 0.625 0.875 0.438 CB 1.170 17 residues pruned to eliminate duplicates Z: 17 12.906 1.825 0.398 0.621 1.000 0.562 CB 1.129 17 residues pruned to eliminate duplicates 10 1.332 1.210 0.415 0.085 0.556 0.333 N 0.798 ? Z: 6 2.170 1.386 0.499 0.100 0.800 0.400 CB 0.973 Z: 6 2.141 1.450 0.483 0.307 0.600 0.600 N 0.919 6 residues pruned to eliminate duplicates Z: 8 4.625 1.683 0.704 0.488 0.857 0.429 CB 0.720 6 residues pruned to eliminate duplicates Z: 9 3.655 1.376 0.502 0.514 0.750 0.250 CB 0.822 6 residues pruned to eliminate duplicates Z: 7 4.201 1.315 0.817 0.442 0.833 0.333 N 0.915 7 residues pruned to eliminate duplicates Z: 15 8.045 1.744 0.682 0.374 0.857 0.500 CB 0.979 15 residues pruned to eliminate duplicates Z: 19 8.923 1.723 0.468 0.393 0.889 0.333 CB 1.048 19 residues pruned to eliminate duplicates Z: 19 6.273 1.707 0.472 0.395 0.667 0.500 CB 0.986 19 residues pruned to eliminate duplicates Z: 15 8.985 1.775 0.569 0.429 0.857 0.500 CB 1.083 15 residues pruned to eliminate duplicates Z: 15 8.928 1.792 0.715 0.408 0.786 0.643 CB 1.088 15 residues pruned to eliminate duplicates Z: 13 9.484 1.831 0.694 0.496 0.833 0.667 CB 1.064 11 residues pruned to eliminate duplicates Z: 7 7.171 1.611 0.658 0.396 1.000 0.667 N 1.223 Z: 6 3.205 1.445 0.519 0.379 0.800 0.600 CA 0.929 Z: 7 6.335 1.505 0.553 0.543 1.000 0.667 CA 1.061 5 residues pruned to eliminate duplicates Z: 6 4.013 1.454 0.374 0.443 0.800 0.400 C 1.190 6 residues pruned to eliminate duplicates Z: 19 8.854 1.816 0.219 0.368 1.000 0.444 CB 1.085 19 residues pruned to eliminate duplicates Z: 18 7.969 1.715 0.369 0.325 1.000 0.412 CB 0.998 32 residues pruned to eliminate duplicates 687 residues left after pruning, divided into chains as follows: A: 6 B: 13 C: 12 D: 6 E: 21 F: 29 G: 14 H: 14 I: 29 J: 10 K: 45 L: 20 M: 10 N: 112 O: 94 P: 11 Q: 110 R: 11 S: 11 T: 73 U: 9 V: 6 W: 21 CC for partial structure against native data = 34.08 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.508, Connect. = 0.666 for dens.mod. cycle 1 = 0.300, Contrast = 0.583, Connect. = 0.694 for dens.mod. cycle 2 = 0.300, Contrast = 0.676, Connect. = 0.728 for dens.mod. cycle 3 = 0.300, Contrast = 0.683, Connect. = 0.732 for dens.mod. cycle 4 = 0.300, Contrast = 0.689, Connect. = 0.734 for dens.mod. cycle 5 = 0.300, Contrast = 0.691, Connect. = 0.736 for dens.mod. cycle 6 = 0.300, Contrast = 0.692, Connect. = 0.738 for dens.mod. cycle 7 = 0.300, Contrast = 0.693, Connect. = 0.740 for dens.mod. cycle 8 = 0.300, Contrast = 0.692, Connect. = 0.741 for dens.mod. cycle 9 = 0.300, Contrast = 0.691, Connect. = 0.742 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3166 peaks > 0.5 sigma used to seed fragment search Space for about 1420 unique residues taking solvent into account 774 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 16.426 1.966 0.510 0.856 0.909 0.727 CB 1.353 B: 23 33.159 1.958 0.690 0.896 1.000 0.773 CB 1.531 C: 11 21.083 2.065 0.528 0.907 1.000 0.700 CB 1.502 12 residues pruned to eliminate duplicates D: 22 30.815 1.955 0.651 0.930 1.000 0.810 CB 1.457 22 residues pruned to eliminate duplicates E: 22 33.839 1.927 0.632 0.936 1.000 0.762 CB 1.634 23 residues pruned to eliminate duplicates F: 21 29.783 1.965 0.416 0.936 1.000 0.850 CB 1.666 21 residues pruned to eliminate duplicates G: 10 9.000 1.800 0.616 0.455 1.000 0.556 CB 1.080 H: 22 34.923 1.958 0.852 0.907 1.000 0.810 CB 1.494 22 residues pruned to eliminate duplicates I: 21 31.028 1.964 0.476 0.924 1.000 0.800 CB 1.681 21 residues pruned to eliminate duplicates J: 53 33.979 1.981 0.436 0.637 0.942 0.712 CB 1.546 22 residues pruned to eliminate duplicates K: 9 10.931 1.905 0.446 0.884 1.000 0.875 CB 1.014 L: 36 21.474 1.892 0.518 0.479 0.914 0.714 CB 1.413 M: 6 2.117 1.687 0.140 0.448 0.600 0.600 CB 0.866 N: 16 8.391 1.827 0.397 0.327 0.867 0.333 CB 1.184 O: 13 4.061 1.635 0.423 0.208 0.750 0.500 CB 0.948 P: 9 6.785 1.667 0.405 0.472 0.875 0.875 CB 1.204 Q: 9 7.787 1.953 0.621 0.537 0.750 0.750 CB 1.117 9 residues pruned to eliminate duplicates R: 13 9.292 1.905 0.410 0.652 1.000 0.417 CB 0.866 S: 55 33.963 2.004 0.478 0.619 0.963 0.778 CB 1.449 55 residues pruned to eliminate duplicates T: 11 4.898 1.790 0.419 0.360 0.800 0.500 CB 0.887 U: 12 7.424 1.883 0.341 0.344 0.909 0.545 CB 1.156 12 residues pruned to eliminate duplicates V: 22 6.783 1.723 0.474 0.312 0.619 0.333 CB 1.159 W: 56 31.387 1.971 0.427 0.593 0.945 0.745 CB 1.456 56 residues pruned to eliminate duplicates X: 35 17.149 1.895 0.451 0.471 0.912 0.471 CB 1.208 11 residues pruned to eliminate duplicates Y: 10 13.065 1.797 0.510 0.588 1.000 0.778 CB 1.474 Z: 9 12.816 1.927 0.410 0.846 0.875 0.750 N 1.416 Z: 20 9.982 1.779 0.716 0.432 0.684 0.316 CB 1.176 Z: 8 11.536 1.968 0.628 0.837 0.857 0.857 N 1.188 13 residues pruned to eliminate duplicates Z: 15 18.972 1.852 0.626 0.904 0.929 0.714 CB 1.292 Z: 12 13.200 1.750 1.000 0.883 0.909 0.727 CB 0.904 Z: 10 5.581 1.768 0.103 0.368 0.889 0.444 N 1.237 Z: 14 13.148 1.883 0.330 0.859 0.769 0.615 N 1.393 9 residues pruned to eliminate duplicates Z: 21 15.149 1.887 0.396 0.440 0.950 0.550 CB 1.439 Z: 7 3.219 1.462 0.336 0.310 1.000 0.500 CB 0.831 Z: 27 9.035 1.819 0.268 0.365 0.846 0.500 CB 1.050 27 residues pruned to eliminate duplicates Z: 12 15.167 1.858 0.371 0.881 1.000 0.909 CB 1.301 Z: 35 17.475 1.825 0.412 0.454 0.912 0.618 CB 1.337 36 residues pruned to eliminate duplicates Z: 6 6.067 1.459 0.318 0.832 1.000 0.800 N 1.059 Z: 18 24.717 1.952 0.750 0.871 1.000 0.824 CB 1.280 17 residues pruned to eliminate duplicates Z: 15 6.041 1.897 0.231 0.351 0.714 0.357 CB 1.138 15 residues pruned to eliminate duplicates Z: 14 17.779 1.817 0.472 0.832 1.000 0.538 CB 1.384 9 residues pruned to eliminate duplicates Z: 10 5.365 1.693 1.167 0.248 0.556 0.444 N 1.173 Z: 25 15.512 1.843 0.518 0.432 0.917 0.417 CB 1.325 25 residues pruned to eliminate duplicates Z: 8 3.991 1.545 0.500 0.459 0.571 0.429 N 1.188 Z: 12 15.627 1.887 0.387 0.885 0.909 0.818 CB 1.429 14 residues pruned to eliminate duplicates Z: 18 23.809 1.974 0.620 0.909 1.000 0.765 CB 1.281 18 residues pruned to eliminate duplicates Z: 57 35.201 1.971 0.563 0.591 0.982 0.732 CB 1.425 57 residues pruned to eliminate duplicates Z: 8 4.401 1.874 0.063 0.370 0.714 0.429 CB 1.344 Z: 22 30.432 1.894 0.692 0.842 0.952 0.810 CB 1.621 22 residues pruned to eliminate duplicates Z: 15 19.874 1.797 0.462 0.903 0.929 0.786 CA 1.552 15 residues pruned to eliminate duplicates Z: 13 17.218 1.945 0.300 0.795 1.000 0.667 CB 1.518 13 residues pruned to eliminate duplicates Z: 10 8.666 1.969 0.435 0.513 1.000 0.778 CB 1.009 11 residues pruned to eliminate duplicates Z: 13 18.096 1.838 0.503 0.802 1.000 0.667 CB 1.453 13 residues pruned to eliminate duplicates Z: 29 10.611 1.651 0.393 0.422 0.821 0.536 CB 1.152 Z: 21 22.231 1.850 0.875 0.892 0.900 0.550 CB 1.144 19 residues pruned to eliminate duplicates Z: 13 14.553 1.988 0.210 0.867 0.917 0.667 CB 1.393 11 residues pruned to eliminate duplicates Z: 17 24.080 1.866 0.688 0.913 1.000 0.812 CB 1.353 15 residues pruned to eliminate duplicates Z: 12 6.202 1.705 0.364 0.475 0.727 0.364 N 1.133 Z: 11 15.598 1.858 0.348 0.883 1.000 0.800 CB 1.424 11 residues pruned to eliminate duplicates Z: 7 6.640 1.742 0.099 0.826 1.000 0.667 O 1.067 6 residues pruned to eliminate duplicates Z: 17 14.835 1.939 0.670 0.538 0.875 0.688 CB 1.261 17 residues pruned to eliminate duplicates Z: 6 6.147 1.664 0.395 0.676 1.000 0.800 CB 1.007 5 residues pruned to eliminate duplicates Z: 19 17.511 1.856 0.320 0.886 1.000 0.944 CB 1.216 10 residues pruned to eliminate duplicates Z: 20 25.191 1.957 0.366 0.905 1.000 0.842 CB 1.539 20 residues pruned to eliminate duplicates Z: 14 8.258 1.696 0.707 0.476 0.923 0.769 CB 0.878 Z: 24 12.766 1.864 0.257 0.394 0.957 0.478 CB 1.329 24 residues pruned to eliminate duplicates Z: 13 13.829 1.798 0.981 0.502 0.833 0.667 CB 1.343 22 residues pruned to eliminate duplicates Z: 19 20.847 1.903 0.602 0.885 1.000 0.778 CB 1.164 19 residues pruned to eliminate duplicates Z: 13 6.014 1.808 0.168 0.452 0.917 0.500 CB 0.942 Z: 18 25.942 1.798 0.924 0.920 1.000 0.882 CB 1.281 17 residues pruned to eliminate duplicates Z: 15 10.573 1.872 0.320 0.312 0.929 0.286 CB 1.517 Z: 12 9.749 1.840 0.625 0.316 0.818 0.455 CB 1.472 Z: 7 7.400 1.908 0.045 0.888 1.000 0.833 CB 1.092 7 residues pruned to eliminate duplicates Z: 6 4.986 1.744 0.139 0.532 0.800 0.600 CB 1.360 6 residues pruned to eliminate duplicates Z: 42 16.895 1.811 0.416 0.481 0.805 0.512 CB 1.302 17 residues pruned to eliminate duplicates Z: 6 2.419 1.618 0.780 0.306 0.800 0.600 CB 0.582 Z: 6 5.343 1.819 0.463 0.646 0.800 0.600 CB 0.979 Z: 19 6.168 1.817 0.219 0.325 0.833 0.500 CB 0.954 19 residues pruned to eliminate duplicates Z: 13 9.924 1.727 0.360 0.819 0.833 0.583 CB 1.110 13 residues pruned to eliminate duplicates Z: 11 6.075 1.587 0.268 0.476 0.900 0.500 CB 1.087 Z: 10 4.801 1.595 0.412 0.222 0.889 0.333 CB 1.107 Z: 8 7.203 1.891 0.472 0.804 1.000 0.857 CB 0.750 Z: 8 7.080 1.694 0.339 0.635 1.000 0.429 CB 1.039 Z: 20 30.079 1.919 0.898 0.934 1.000 0.842 CB 1.321 21 residues pruned to eliminate duplicates Z: 31 33.910 2.033 0.543 0.754 1.000 0.833 CB 1.574 31 residues pruned to eliminate duplicates Z: 25 13.475 1.866 0.397 0.471 0.750 0.500 CB 1.449 26 residues pruned to eliminate duplicates Z: 19 24.682 1.887 0.707 0.892 1.000 0.722 CB 1.297 19 residues pruned to eliminate duplicates Z: 12 16.883 1.922 0.581 0.741 1.000 0.727 CB 1.350 12 residues pruned to eliminate duplicates Z: 13 8.977 1.729 0.471 0.515 0.833 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 22 17.235 1.846 0.699 0.590 0.857 0.667 CB 1.284 12 residues pruned to eliminate duplicates Z: 6 8.660 1.839 0.223 0.776 1.000 0.800 CB 1.350 5 residues pruned to eliminate duplicates Z: 9 5.869 1.781 0.185 0.380 0.875 0.500 CB 1.277 Z: 12 9.968 1.748 0.249 0.816 0.909 0.636 CB 1.150 11 residues pruned to eliminate duplicates Z: 9 5.523 1.843 0.519 0.289 0.750 0.500 CB 1.178 Z: 11 7.066 1.814 0.071 0.494 0.900 0.500 CB 1.285 11 residues pruned to eliminate duplicates Z: 16 8.801 1.600 0.454 0.511 0.733 0.600 CB 1.317 Z: 6 6.456 1.841 0.147 0.660 0.800 0.800 CB 1.473 Z: 6 3.356 1.479 0.288 0.589 0.800 0.600 CB 0.904 Z: 13 4.529 1.637 0.377 0.435 0.917 0.583 CB 0.676 Z: 14 9.711 1.865 0.921 0.395 0.769 0.462 CB 1.092 14 residues pruned to eliminate duplicates Z: 16 11.573 1.819 0.595 0.521 0.867 0.667 CB 1.164 17 residues pruned to eliminate duplicates Z: 16 7.914 1.710 0.353 0.299 0.800 0.400 N 1.382 16 residues pruned to eliminate duplicates Z: 15 11.830 1.924 0.369 0.508 0.857 0.643 CB 1.389 14 residues pruned to eliminate duplicates Z: 8 4.934 1.771 0.368 0.209 0.714 0.571 N 1.519 Z: 13 9.778 1.854 0.632 0.328 0.917 0.500 CB 1.229 13 residues pruned to eliminate duplicates Z: 19 26.163 1.890 0.974 0.913 1.000 0.833 CB 1.170 19 residues pruned to eliminate duplicates Z: 6 5.762 1.856 0.035 0.631 0.800 0.600 CB 1.483 Z: 19 9.683 1.892 0.292 0.411 0.944 0.556 CB 1.085 15 residues pruned to eliminate duplicates Z: 10 6.130 1.882 0.203 0.546 0.889 0.444 CB 0.971 10 residues pruned to eliminate duplicates Z: 6 6.133 1.633 0.223 0.621 1.000 0.600 O 1.225 Z: 7 3.111 1.568 0.249 0.300 0.667 0.500 O 1.216 Z: 7 11.082 1.884 0.721 0.844 1.000 1.000 CB 1.038 8 residues pruned to eliminate duplicates Z: 12 3.490 1.730 0.420 0.242 0.636 0.545 CB 0.907 Z: 18 23.054 1.800 0.925 0.893 0.882 0.706 CB 1.313 18 residues pruned to eliminate duplicates Z: 11 4.051 1.861 0.891 0.907 1.000 1.000 CB 0.259 Z: 21 20.966 1.983 0.800 0.523 0.900 0.700 CB 1.427 21 residues pruned to eliminate duplicates Z: 14 8.325 1.752 0.396 0.499 0.769 0.615 CB 1.229 Z: 10 3.191 1.780 0.644 0.918 1.000 1.000 CB 0.256 7 residues pruned to eliminate duplicates Z: 12 15.974 1.871 0.503 0.912 1.000 0.727 CB 1.214 12 residues pruned to eliminate duplicates Z: 11 11.932 1.787 0.613 0.782 1.000 0.700 CB 1.021 11 residues pruned to eliminate duplicates Z: 8 9.845 1.931 0.872 0.727 1.000 0.857 CB 0.839 13 residues pruned to eliminate duplicates Z: 16 8.749 1.777 0.480 0.385 0.733 0.600 CB 1.325 12 residues pruned to eliminate duplicates Z: 12 17.309 1.868 0.481 0.905 1.000 0.909 CB 1.342 30 residues pruned to eliminate duplicates Z: 9 6.519 1.785 0.342 0.558 0.750 0.500 CB 1.212 Z: 13 14.035 1.999 0.326 0.788 0.917 0.667 CB 1.294 13 residues pruned to eliminate duplicates Z: 24 12.062 1.821 0.428 0.379 0.870 0.435 CB 1.265 23 residues pruned to eliminate duplicates Z: 7 7.885 1.727 0.622 0.626 0.833 0.667 CB 1.224 7 residues pruned to eliminate duplicates Z: 17 10.842 1.825 0.257 0.519 0.812 0.625 CB 1.426 15 residues pruned to eliminate duplicates Z: 17 21.779 1.861 0.744 0.904 0.875 0.688 CB 1.366 17 residues pruned to eliminate duplicates Z: 8 10.490 1.814 0.617 0.643 1.000 0.857 CB 1.183 Z: 18 14.027 1.861 0.535 0.516 0.882 0.412 CB 1.329 18 residues pruned to eliminate duplicates Z: 7 8.781 1.672 0.593 0.457 1.000 0.667 CA 1.405 7 residues pruned to eliminate duplicates Z: 17 14.595 1.884 0.469 0.473 0.938 0.625 CB 1.446 17 residues pruned to eliminate duplicates Z: 16 8.967 1.723 0.251 0.454 1.000 0.667 CB 1.126 16 residues pruned to eliminate duplicates Z: 17 12.475 1.950 0.404 0.465 0.938 0.625 CB 1.259 17 residues pruned to eliminate duplicates Z: 7 5.959 1.345 0.607 0.825 1.000 0.833 N 0.850 6 residues pruned to eliminate duplicates Z: 14 4.492 1.859 0.234 0.082 0.692 0.154 N 1.347 9 residues pruned to eliminate duplicates Z: 10 3.982 1.735 0.114 0.420 0.778 0.444 CB 0.960 7 residues pruned to eliminate duplicates Z: 6 3.683 1.479 0.133 0.459 1.000 0.600 N 1.025 Z: 8 5.803 1.504 0.443 0.558 1.000 0.714 N 0.955 Z: 28 7.400 1.790 0.216 0.379 0.778 0.444 CB 0.957 13 residues pruned to eliminate duplicates Z: 6 8.141 1.979 0.392 0.499 0.800 0.600 CB 1.654 6 residues pruned to eliminate duplicates Z: 15 10.879 1.925 0.388 0.357 0.857 0.571 CB 1.481 14 residues pruned to eliminate duplicates Z: 13 14.743 1.874 0.365 0.846 0.917 0.750 CB 1.348 13 residues pruned to eliminate duplicates Z: 9 5.195 1.751 0.637 0.586 0.875 0.750 CB 0.674 6 residues pruned to eliminate duplicates Z: 14 7.594 1.737 0.430 0.522 0.923 0.615 CB 0.899 Z: 6 6.179 1.639 0.741 0.716 0.800 0.600 CB 0.996 Z: 12 8.547 1.881 0.247 0.481 0.909 0.636 CB 1.232 15 residues pruned to eliminate duplicates Z: 9 7.627 1.889 0.557 0.501 0.875 0.500 CB 1.047 8 residues pruned to eliminate duplicates Z: 8 8.568 1.971 0.299 0.514 1.000 0.571 CB 1.247 8 residues pruned to eliminate duplicates Z: 10 4.510 1.608 0.155 0.380 0.889 0.444 CB 1.034 Z: 8 8.821 1.761 0.260 0.791 1.000 0.714 CB 1.164 Z: 7 8.370 1.590 0.413 0.807 1.000 0.833 N 1.164 7 residues pruned to eliminate duplicates Z: 14 4.896 1.788 0.285 0.303 0.769 0.462 CB 0.957 14 residues pruned to eliminate duplicates Z: 10 5.991 1.761 0.313 0.555 0.889 0.556 CB 0.921 8 residues pruned to eliminate duplicates Z: 10 5.284 1.601 0.474 0.328 0.667 0.444 CB 1.353 Z: 9 3.885 1.688 0.102 0.539 0.750 0.500 CB 0.948 Z: 6 10.839 1.944 0.291 0.836 1.000 0.600 CB 1.446 6 residues pruned to eliminate duplicates Z: 11 16.623 1.867 0.630 0.849 0.900 0.800 N 1.423 27 residues pruned to eliminate duplicates Z: 13 14.994 1.795 0.638 0.796 0.833 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 16 24.850 1.906 0.715 0.933 1.000 1.000 CB 1.370 15 residues pruned to eliminate duplicates Z: 41 23.564 1.869 0.572 0.468 0.975 0.625 CB 1.344 40 residues pruned to eliminate duplicates Z: 57 30.070 1.971 0.393 0.585 0.911 0.661 CB 1.481 57 residues pruned to eliminate duplicates Z: 13 12.961 1.855 0.538 0.492 1.000 0.667 CB 1.323 13 residues pruned to eliminate duplicates Z: 13 14.269 1.914 0.280 0.794 0.917 0.750 CB 1.417 13 residues pruned to eliminate duplicates Z: 10 15.810 2.069 0.564 0.877 0.889 0.778 CB 1.331 10 residues pruned to eliminate duplicates Z: 16 14.089 1.811 0.604 0.575 0.800 0.600 CB 1.455 13 residues pruned to eliminate duplicates Z: 6 5.098 1.637 0.394 0.298 1.000 0.800 CB 1.251 Z: 8 3.277 1.797 0.563 0.892 1.000 1.000 CB 0.317 Z: 21 21.851 1.824 0.589 0.914 1.000 0.850 CB 1.193 21 residues pruned to eliminate duplicates Z: 11 12.758 1.798 0.362 0.895 1.000 0.700 CB 1.181 11 residues pruned to eliminate duplicates Z: 19 20.983 1.833 0.769 0.891 0.833 0.611 CB 1.316 19 residues pruned to eliminate duplicates Z: 7 11.745 2.174 0.678 0.469 0.833 0.667 CB 1.628 9 residues pruned to eliminate duplicates Z: 7 5.377 1.612 0.717 0.449 0.667 0.500 CA 1.254 Z: 10 7.110 1.859 0.544 0.536 0.778 0.667 CB 1.025 Z: 10 13.756 1.790 0.774 0.871 0.889 0.667 CB 1.185 10 residues pruned to eliminate duplicates Z: 9 4.171 1.750 0.403 0.591 0.875 0.625 CB 0.629 Z: 9 2.459 1.543 0.347 0.324 0.875 0.375 CB 0.580 9 residues pruned to eliminate duplicates Z: 20 21.517 1.835 0.585 0.870 0.947 0.789 CB 1.308 20 residues pruned to eliminate duplicates 7 1.117 1.441 0.448 0.248 0.500 0.500 CB 0.585 ? Z: 13 8.939 1.839 0.542 0.480 0.833 0.583 CB 1.114 13 residues pruned to eliminate duplicates 7 1.985 1.499 0.453 0.136 0.833 0.500 CB 0.702 ? Z: 11 18.326 1.971 0.600 0.884 1.000 0.600 CB 1.327 11 residues pruned to eliminate duplicates Z: 10 4.454 1.864 0.283 0.222 0.889 0.667 CB 0.967 10 residues pruned to eliminate duplicates Z: 7 4.100 1.394 0.500 0.549 0.833 0.500 CB 0.916 Z: 13 7.263 1.706 0.469 0.408 0.750 0.417 CB 1.228 5 residues pruned to eliminate duplicates Z: 6 3.757 1.526 0.652 0.510 0.800 0.400 CB 0.825 Z: 11 9.083 1.852 0.451 0.415 1.000 0.600 CA 1.169 9 residues pruned to eliminate duplicates Z: 6 6.046 1.888 0.432 0.800 0.800 0.400 CB 0.962 Z: 11 12.893 1.900 0.696 0.552 1.000 0.800 CB 1.203 Z: 19 8.363 1.802 0.296 0.302 0.889 0.611 CB 1.184 19 residues pruned to eliminate duplicates Z: 24 10.234 1.731 0.522 0.353 0.870 0.565 CB 1.092 13 residues pruned to eliminate duplicates Z: 15 5.611 1.687 0.355 0.211 0.857 0.429 CB 1.077 8 residues pruned to eliminate duplicates Z: 7 4.265 1.693 0.073 0.803 1.000 0.500 CB 0.736 7 residues pruned to eliminate duplicates Z: 12 8.907 1.713 0.344 0.394 0.909 0.545 N 1.436 10 residues pruned to eliminate duplicates Z: 20 23.171 1.781 0.792 0.893 1.000 0.947 CB 1.196 20 residues pruned to eliminate duplicates Z: 17 11.742 1.839 0.139 0.582 1.000 0.812 CB 1.295 17 residues pruned to eliminate duplicates Z: 13 9.397 1.856 0.471 0.556 0.833 0.667 CB 1.128 14 residues pruned to eliminate duplicates Z: 16 7.597 1.846 0.172 0.548 0.933 0.533 CB 0.927 16 residues pruned to eliminate duplicates Z: 12 6.841 1.713 0.483 0.616 0.818 0.636 CB 0.890 12 residues pruned to eliminate duplicates Z: 13 13.059 1.723 0.529 0.808 0.833 0.667 CB 1.313 12 residues pruned to eliminate duplicates Z: 8 7.197 1.566 0.652 0.551 0.857 0.571 CB 1.167 Z: 12 6.784 1.683 0.429 0.515 0.727 0.545 CB 1.152 12 residues pruned to eliminate duplicates Z: 8 3.980 1.583 0.059 0.409 0.857 0.429 CB 1.152 7 residues pruned to eliminate duplicates Z: 14 9.281 1.718 0.504 0.587 1.000 0.769 CB 0.916 8 residues pruned to eliminate duplicates Z: 10 5.446 1.698 0.196 0.404 0.889 0.556 CB 1.112 10 residues pruned to eliminate duplicates Z: 26 8.032 1.722 0.507 0.314 0.880 0.640 CB 0.865 26 residues pruned to eliminate duplicates Z: 9 3.314 1.622 0.299 0.259 0.875 0.375 CB 0.837 6 0.275 1.311 0.100 0.306 0.400 0.400 CB 0.264 ? Z: 13 8.536 1.849 0.310 0.467 0.833 0.667 CB 1.262 14 residues pruned to eliminate duplicates Z: 20 7.562 1.637 0.319 0.390 0.789 0.474 CB 1.144 Z: 12 19.924 1.982 0.571 0.884 1.000 0.545 CB 1.394 12 residues pruned to eliminate duplicates Z: 7 5.689 1.765 0.466 0.511 0.667 0.333 O 1.332 6 residues pruned to eliminate duplicates Z: 23 13.386 1.772 0.480 0.474 0.864 0.364 CB 1.294 23 residues pruned to eliminate duplicates Z: 16 9.068 1.855 0.315 0.395 0.867 0.467 CB 1.237 16 residues pruned to eliminate duplicates Z: 10 8.977 1.890 0.533 0.395 0.889 0.778 CB 1.299 5 residues pruned to eliminate duplicates Z: 12 2.738 1.416 0.058 0.239 0.636 0.273 N 1.172 Z: 13 17.399 1.694 0.956 0.834 1.000 0.667 CB 1.136 13 residues pruned to eliminate duplicates Z: 36 17.002 1.823 0.548 0.368 0.914 0.543 CB 1.283 36 residues pruned to eliminate duplicates Z: 8 4.698 1.564 1.160 0.330 0.714 0.429 CB 0.887 Z: 22 11.868 1.836 0.604 0.392 0.905 0.571 CB 1.089 22 residues pruned to eliminate duplicates Z: 11 6.852 1.793 0.400 0.387 0.900 0.600 CB 1.082 17 residues pruned to eliminate duplicates Z: 11 10.601 1.678 0.808 0.550 1.000 0.600 CB 1.053 8 residues pruned to eliminate duplicates Z: 21 15.000 1.931 0.436 0.449 0.900 0.700 CB 1.417 21 residues pruned to eliminate duplicates Z: 18 7.126 1.628 0.312 0.422 0.765 0.353 CB 1.148 18 residues pruned to eliminate duplicates Z: 20 22.785 1.868 0.670 0.894 1.000 0.789 CB 1.202 19 residues pruned to eliminate duplicates Z: 16 7.769 1.809 0.564 0.256 0.667 0.467 CB 1.407 16 residues pruned to eliminate duplicates Z: 12 15.979 1.983 0.450 0.909 1.000 1.000 CB 1.189 12 residues pruned to eliminate duplicates Z: 11 9.354 1.841 0.554 0.542 0.900 0.600 CB 1.103 11 residues pruned to eliminate duplicates Z: 12 11.444 1.914 0.659 0.406 0.818 0.727 CB 1.465 12 residues pruned to eliminate duplicates Z: 8 2.736 1.426 -0.025 0.462 0.857 0.714 CB 0.902 Z: 12 13.239 1.706 0.882 0.643 1.000 0.636 CB 1.088 13 residues pruned to eliminate duplicates Z: 21 6.570 1.718 0.202 0.411 0.750 0.450 CB 1.041 21 residues pruned to eliminate duplicates Z: 6 8.398 1.574 0.723 0.772 1.000 0.800 CB 1.089 6 residues pruned to eliminate duplicates Z: 29 19.012 1.887 0.571 0.480 0.929 0.607 CB 1.331 30 residues pruned to eliminate duplicates Z: 24 11.898 1.818 0.480 0.355 0.826 0.478 CB 1.305 24 residues pruned to eliminate duplicates Z: 22 12.722 1.849 0.436 0.443 0.857 0.476 CB 1.294 22 residues pruned to eliminate duplicates Z: 11 4.610 1.762 0.474 0.802 1.000 0.800 CB 0.431 8 residues pruned to eliminate duplicates Z: 8 7.519 1.669 0.320 0.604 1.000 0.571 CA 1.169 8 residues pruned to eliminate duplicates Z: 13 6.696 1.665 0.487 0.324 0.750 0.417 CB 1.264 13 residues pruned to eliminate duplicates Z: 10 2.661 1.587 0.161 0.317 0.778 0.444 CB 0.757 Z: 25 11.211 1.732 0.267 0.434 0.917 0.625 CB 1.218 27 residues pruned to eliminate duplicates Z: 9 5.513 1.598 0.362 0.397 0.750 0.625 N 1.331 Z: 7 2.690 1.561 0.313 0.242 0.667 0.333 CB 1.083 Z: 10 6.217 1.583 0.764 0.435 0.667 0.333 N 1.191 10 residues pruned to eliminate duplicates Z: 14 8.381 1.744 0.572 0.412 0.923 0.692 CB 1.007 24 residues pruned to eliminate duplicates Z: 7 3.599 1.477 0.168 0.558 0.833 0.833 N 0.966 7 residues pruned to eliminate duplicates Z: 21 23.118 1.852 0.559 0.904 1.000 0.900 CB 1.276 20 residues pruned to eliminate duplicates Z: 8 4.476 1.583 0.403 0.337 0.714 0.429 CB 1.275 Z: 10 14.529 2.062 0.236 0.909 1.000 0.778 CB 1.348 10 residues pruned to eliminate duplicates Z: 6 10.600 1.688 0.564 0.848 1.000 0.800 CB 1.332 8 residues pruned to eliminate duplicates Z: 18 6.094 1.553 0.353 0.313 0.765 0.176 N 1.131 9 residues pruned to eliminate duplicates Z: 6 9.353 2.039 0.448 0.407 1.000 0.600 CB 1.561 Z: 7 3.869 1.682 0.624 0.468 0.667 0.500 CB 0.896 Z: 13 14.527 1.687 0.488 0.876 1.000 0.917 CB 1.214 12 residues pruned to eliminate duplicates Z: 6 7.171 1.609 0.607 0.568 1.000 0.600 CB 1.161 6 residues pruned to eliminate duplicates Z: 8 4.797 1.601 0.315 0.470 0.714 0.571 N 1.243 Z: 9 3.546 1.653 0.275 0.300 0.750 0.375 CB 0.992 Z: 12 6.917 1.801 0.067 0.606 0.909 0.545 CB 1.079 12 residues pruned to eliminate duplicates Z: 12 10.387 1.845 0.464 0.595 1.000 0.545 CB 1.060 12 residues pruned to eliminate duplicates Z: 7 2.641 1.430 0.441 0.522 0.833 0.500 CB 0.614 Z: 18 9.693 1.786 0.447 0.523 0.941 0.588 CB 0.945 18 residues pruned to eliminate duplicates Z: 7 4.454 1.660 0.487 0.510 0.667 0.500 N 1.095 Z: 20 32.652 1.886 0.986 0.951 1.000 1.000 CB 1.378 20 residues pruned to eliminate duplicates Z: 11 7.185 1.673 0.400 0.557 1.000 0.600 CB 0.918 11 residues pruned to eliminate duplicates Z: 7 6.207 1.522 0.538 0.547 0.833 0.500 N 1.242 7 residues pruned to eliminate duplicates Z: 8 2.992 1.559 0.485 0.296 0.714 0.286 CB 0.860 6 1.499 1.779 0.784 0.602 1.000 0.800 CB 0.192 ? Z: 15 10.537 1.838 0.562 0.382 0.929 0.500 CB 1.198 15 residues pruned to eliminate duplicates Z: 10 6.507 1.499 0.611 0.521 0.778 0.556 N 1.132 Z: 9 4.945 1.552 0.636 0.332 0.625 0.625 O 1.323 Z: 19 16.604 1.841 0.780 0.494 0.944 0.611 CB 1.272 24 residues pruned to eliminate duplicates Z: 10 9.359 1.676 1.021 0.745 1.000 0.889 CB 0.740 Z: 7 6.174 1.838 0.547 0.855 1.000 0.667 CB 0.654 Z: 7 2.809 1.295 0.103 0.398 0.833 0.500 O 1.073 Z: 18 15.586 1.919 0.502 0.510 0.941 0.588 CB 1.380 18 residues pruned to eliminate duplicates Z: 18 6.506 1.723 0.299 0.421 0.882 0.412 CB 0.868 18 residues pruned to eliminate duplicates Z: 12 11.817 1.829 0.795 0.432 0.818 0.636 CA 1.424 12 residues pruned to eliminate duplicates Z: 8 3.674 1.707 0.405 0.750 1.000 0.857 CB 0.463 Z: 8 4.708 1.329 0.527 0.438 0.857 0.571 CB 1.091 Z: 20 23.474 1.814 0.600 0.912 1.000 0.632 CB 1.314 20 residues pruned to eliminate duplicates Z: 6 3.106 1.368 0.315 0.434 0.800 0.400 O 1.033 Z: 6 5.267 1.688 0.651 0.298 0.800 0.800 CA 1.325 Z: 8 6.090 1.630 0.280 0.620 0.857 0.714 O 1.150 Z: 6 5.251 1.549 0.718 0.407 0.800 0.400 O 1.216 6 residues pruned to eliminate duplicates Z: 31 17.598 1.853 0.636 0.442 0.867 0.633 CB 1.298 36 residues pruned to eliminate duplicates Z: 7 7.968 1.639 0.443 0.672 1.000 0.833 O 1.174 Z: 7 3.228 1.796 0.316 0.379 0.667 0.667 CB 0.951 7 residues pruned to eliminate duplicates Z: 22 10.028 1.863 0.315 0.333 0.810 0.476 CB 1.324 22 residues pruned to eliminate duplicates Z: 38 21.767 1.796 0.542 0.548 0.919 0.649 CB 1.342 38 residues pruned to eliminate duplicates Z: 9 10.198 1.794 0.858 0.719 0.875 0.750 CB 1.014 Z: 19 20.029 1.840 0.559 0.935 1.000 0.833 CB 1.147 19 residues pruned to eliminate duplicates Z: 6 5.206 1.569 0.446 0.610 0.800 0.800 N 1.156 9 residues pruned to eliminate duplicates Z: 6 2.954 1.422 0.483 0.356 0.800 0.800 CB 0.914 Z: 7 2.953 1.369 0.716 0.404 1.000 0.667 CB 0.567 Z: 13 5.181 1.575 0.543 0.238 0.667 0.583 N 1.251 12 residues pruned to eliminate duplicates Z: 7 4.471 1.514 1.215 0.858 0.667 0.333 N 0.601 6 residues pruned to eliminate duplicates Z: 11 14.644 1.739 0.634 0.812 1.000 0.500 CB 1.242 11 residues pruned to eliminate duplicates Z: 9 5.855 1.834 0.617 0.258 0.625 0.375 CB 1.475 Z: 7 3.960 1.498 0.663 0.468 0.667 0.500 O 1.006 6 1.566 1.750 -0.482 0.392 1.000 0.400 CB 0.865 ? Z: 7 4.611 1.871 0.037 0.525 0.833 0.667 CB 1.135 7 residues pruned to eliminate duplicates Z: 10 4.931 1.518 0.696 0.574 0.778 0.667 CB 0.764 10 residues pruned to eliminate duplicates Z: 9 3.902 1.684 0.157 0.408 0.875 0.750 CB 0.891 Z: 11 9.372 1.835 0.391 0.514 1.000 0.400 CB 1.146 11 residues pruned to eliminate duplicates Z: 10 3.348 1.554 0.270 0.430 0.667 0.556 CB 0.912 Z: 9 10.026 1.830 0.342 0.554 1.000 0.625 CB 1.369 9 residues pruned to eliminate duplicates Z: 18 5.559 1.558 0.325 0.472 0.824 0.529 CB 0.815 16 residues pruned to eliminate duplicates Z: 9 5.078 1.593 0.455 0.311 0.875 0.625 CB 1.091 Z: 6 4.626 1.263 0.460 0.809 1.000 0.600 N 0.857 Z: 17 23.033 1.782 0.726 0.885 1.000 0.750 CB 1.351 17 residues pruned to eliminate duplicates 6 1.744 1.298 0.660 0.288 0.600 0.400 N 0.766 ? Z: 7 4.295 1.617 0.081 0.567 0.833 0.500 N 1.129 Z: 6 7.737 1.716 0.459 0.494 1.000 0.400 CA 1.389 Z: 13 4.044 1.566 0.329 0.170 0.667 0.417 O 1.256 4 residues pruned to eliminate duplicates Z: 19 12.635 1.899 0.316 0.471 0.889 0.556 CB 1.381 19 residues pruned to eliminate duplicates Z: 32 11.647 1.845 0.415 0.438 0.806 0.452 CB 1.059 32 residues pruned to eliminate duplicates Z: 8 3.292 1.544 1.004 0.214 0.571 0.429 N 0.985 6 1.964 1.104 0.285 0.608 1.000 0.600 N 0.559 ? Z: 8 2.597 1.576 0.385 0.250 0.571 0.429 CB 1.049 Z: 7 2.841 1.477 0.027 0.509 0.833 0.667 CB 0.909 Z: 16 11.596 1.686 0.536 0.493 1.000 0.533 CB 1.163 23 residues pruned to eliminate duplicates Z: 12 13.232 1.806 0.609 0.853 0.909 0.636 CB 1.116 12 residues pruned to eliminate duplicates Z: 10 7.173 1.853 0.195 0.366 0.889 0.444 CB 1.404 7 residues pruned to eliminate duplicates Z: 13 9.362 1.863 0.170 0.674 0.750 0.667 CB 1.409 13 residues pruned to eliminate duplicates Z: 12 10.500 1.711 0.010 0.887 1.000 0.909 CB 1.321 12 residues pruned to eliminate duplicates Z: 15 7.605 1.718 0.410 0.431 0.786 0.429 CB 1.147 15 residues pruned to eliminate duplicates Z: 18 20.081 1.947 0.478 0.895 1.000 0.824 CB 1.213 18 residues pruned to eliminate duplicates Z: 12 9.058 1.793 0.480 0.610 0.818 0.455 CB 1.134 12 residues pruned to eliminate duplicates Z: 6 3.524 1.511 0.158 0.689 1.000 0.600 CB 0.757 Z: 31 19.344 1.896 0.478 0.552 0.900 0.567 CB 1.331 30 residues pruned to eliminate duplicates Z: 15 13.163 1.898 0.514 0.620 0.857 0.571 CB 1.275 15 residues pruned to eliminate duplicates Z: 7 5.218 1.653 0.371 0.378 0.833 0.500 O 1.284 Z: 14 6.550 1.823 0.225 0.361 0.692 0.462 CB 1.365 14 residues pruned to eliminate duplicates Z: 29 13.610 1.772 0.584 0.363 0.893 0.500 CB 1.189 29 residues pruned to eliminate duplicates Z: 45 27.694 1.977 0.343 0.572 0.955 0.750 CB 1.537 45 residues pruned to eliminate duplicates Z: 9 5.693 1.716 0.328 0.439 0.875 0.500 CB 1.074 9 residues pruned to eliminate duplicates Z: 7 4.126 1.469 0.832 0.401 0.833 0.500 CB 0.833 7 residues pruned to eliminate duplicates Z: 14 7.390 1.647 0.314 0.639 0.923 0.692 CB 0.902 Z: 6 6.898 1.886 0.184 0.605 0.800 0.600 CB 1.563 6 residues pruned to eliminate duplicates Z: 21 10.082 1.825 0.464 0.450 0.800 0.600 CB 1.110 21 residues pruned to eliminate duplicates Z: 9 8.137 1.802 0.094 0.664 1.000 0.625 CB 1.254 9 residues pruned to eliminate duplicates Z: 8 2.628 1.513 0.031 0.345 0.857 0.429 CB 0.879 Z: 7 8.477 1.629 0.602 0.715 1.000 0.833 CB 1.091 Z: 6 4.210 1.435 0.584 0.474 0.800 0.400 CB 1.063 6 residues pruned to eliminate duplicates Z: 18 10.704 1.846 0.409 0.601 0.706 0.588 CB 1.284 18 residues pruned to eliminate duplicates Z: 14 9.725 1.713 0.303 0.531 0.846 0.692 CB 1.384 14 residues pruned to eliminate duplicates Z: 9 8.524 1.721 0.539 0.653 0.875 0.875 CB 1.128 9 residues pruned to eliminate duplicates Z: 13 5.264 1.492 0.507 0.405 0.667 0.417 N 1.120 Z: 6 13.311 1.825 0.698 0.854 1.000 0.800 CB 1.419 6 residues pruned to eliminate duplicates Z: 7 3.490 1.535 0.558 0.405 0.667 0.667 CB 0.987 Z: 6 2.270 1.214 0.430 0.461 0.800 0.600 N 0.761 Z: 6 2.490 1.592 0.027 0.374 0.800 0.800 CB 0.974 Z: 20 21.877 1.848 0.655 0.865 1.000 0.632 CB 1.202 20 residues pruned to eliminate duplicates Z: 11 12.634 1.848 0.611 0.545 0.900 0.500 CB 1.426 11 residues pruned to eliminate duplicates Z: 11 4.860 1.855 0.347 0.456 0.800 0.600 CB 0.805 11 residues pruned to eliminate duplicates Z: 6 2.486 1.463 0.233 0.376 0.800 0.600 O 0.880 Z: 8 8.384 1.608 0.825 0.656 0.857 0.857 CB 1.089 5 residues pruned to eliminate duplicates Z: 9 12.851 1.868 0.479 0.597 1.000 0.750 CB 1.498 10 residues pruned to eliminate duplicates Z: 14 9.253 1.728 0.441 0.504 0.769 0.538 CB 1.334 13 residues pruned to eliminate duplicates Z: 8 4.047 1.666 0.396 0.455 0.714 0.571 CB 0.964 10 residues pruned to eliminate duplicates Z: 7 3.996 1.730 0.155 0.623 0.833 0.833 CB 0.873 Z: 6 3.086 1.474 0.731 0.406 1.000 0.400 CB 0.597 Z: 8 5.783 1.469 0.636 0.624 0.857 0.571 CB 0.944 8 residues pruned to eliminate duplicates Z: 7 2.848 1.347 0.486 0.412 0.667 0.333 N 0.955 Z: 20 14.729 1.765 0.516 0.885 0.947 0.368 CB 0.962 20 residues pruned to eliminate duplicates Z: 7 5.622 1.305 0.667 0.612 0.833 0.667 N 1.139 6 residues pruned to eliminate duplicates Z: 8 3.467 1.888 0.053 0.524 0.857 0.714 CB 0.751 8 residues pruned to eliminate duplicates Z: 26 7.245 1.741 0.231 0.353 0.680 0.400 CB 1.165 26 residues pruned to eliminate duplicates Z: 6 4.129 1.754 0.471 0.531 0.800 0.800 CB 0.868 6 residues pruned to eliminate duplicates Z: 28 10.728 1.751 0.342 0.417 0.778 0.296 CB 1.232 25 residues pruned to eliminate duplicates Z: 10 3.703 1.621 0.017 0.537 0.889 0.667 CB 0.812 8 residues pruned to eliminate duplicates Z: 6 3.180 1.213 0.360 0.523 0.800 0.800 N 1.053 Z: 18 8.316 1.701 0.398 0.367 0.882 0.529 CB 1.108 18 residues pruned to eliminate duplicates Z: 11 4.942 1.631 0.351 0.489 0.800 0.500 CB 0.896 11 residues pruned to eliminate duplicates 8 1.343 1.072 0.372 0.337 0.714 0.429 CA 0.577 ? Z: 27 14.755 1.760 0.557 0.390 0.846 0.538 CB 1.401 27 residues pruned to eliminate duplicates Z: 7 2.964 1.841 0.465 0.332 0.500 0.500 CB 1.078 8 residues pruned to eliminate duplicates Z: 7 4.266 1.607 0.472 0.658 0.833 0.833 CB 0.763 8 residues pruned to eliminate duplicates Z: 16 9.328 1.564 0.177 0.760 0.867 0.600 CB 1.198 16 residues pruned to eliminate duplicates Z: 13 9.703 1.568 0.609 0.398 0.917 0.750 CB 1.349 11 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 10.463 1.751 0.482 0.526 0.800 0.500 CB 1.554 7 residues pruned to eliminate duplicates 6 1.824 1.125 0.879 0.448 0.800 0.800 CA 0.509 ? Z: 7 3.923 1.233 0.644 0.403 0.833 0.833 O 1.050 7 residues pruned to eliminate duplicates Z: 8 12.822 2.133 0.623 0.560 1.000 0.714 CB 1.321 7 residues pruned to eliminate duplicates 6 1.735 1.203 0.713 0.296 0.800 0.600 CA 0.591 ? Z: 6 2.439 1.323 0.119 0.430 1.000 0.600 CA 0.792 Z: 6 5.327 1.522 0.546 0.374 1.000 0.600 CB 1.158 Z: 6 5.299 1.481 0.647 0.447 1.000 0.800 CB 1.026 Z: 6 3.120 1.227 0.663 0.374 1.000 0.600 O 0.782 6 residues pruned to eliminate duplicates Z: 11 9.378 1.854 0.486 0.382 0.900 0.800 CB 1.355 11 residues pruned to eliminate duplicates Z: 13 9.197 1.802 0.652 0.341 0.833 0.500 CB 1.273 13 residues pruned to eliminate duplicates Z: 13 9.472 1.852 0.460 0.365 0.917 0.583 CB 1.275 14 residues pruned to eliminate duplicates Z: 6 5.279 1.811 0.194 0.391 1.000 1.000 CB 1.225 6 residues pruned to eliminate duplicates Z: 12 8.577 1.808 0.440 0.381 0.909 0.636 CB 1.241 12 residues pruned to eliminate duplicates Z: 13 7.015 1.847 0.230 0.516 0.833 0.333 CB 1.053 13 residues pruned to eliminate duplicates Z: 12 5.840 1.720 0.560 0.569 0.909 0.455 CB 0.675 12 residues pruned to eliminate duplicates Z: 12 9.981 1.913 0.399 0.525 0.818 0.727 CB 1.341 13 residues pruned to eliminate duplicates Z: 6 3.653 1.279 0.709 0.386 0.800 0.200 O 1.054 Z: 6 3.303 1.559 0.540 0.361 0.800 0.600 CB 0.893 6 residues pruned to eliminate duplicates Z: 13 6.313 1.689 0.124 0.293 0.917 0.333 N 1.321 Z: 6 3.775 1.764 -0.114 0.601 0.800 0.000 CB 1.227 6 residues pruned to eliminate duplicates Z: 11 5.752 1.692 0.344 0.229 0.800 0.100 O 1.373 10 residues pruned to eliminate duplicates Z: 6 2.930 1.543 0.617 0.258 0.600 0.400 CB 1.155 Z: 7 3.844 1.600 0.335 0.476 0.833 0.500 CA 0.903 7 residues pruned to eliminate duplicates Z: 11 6.204 1.852 -0.002 0.538 0.900 0.500 CB 1.137 12 residues pruned to eliminate duplicates Z: 6 4.622 1.610 -0.033 0.555 1.000 0.800 CB 1.257 6 residues pruned to eliminate duplicates Z: 11 5.059 1.911 0.082 0.415 0.800 0.300 CB 1.056 11 residues pruned to eliminate duplicates Z: 13 9.805 1.760 0.410 0.615 0.833 0.667 CB 1.228 14 residues pruned to eliminate duplicates Z: 7 3.266 1.473 0.343 0.280 0.833 0.500 CB 1.037 6 residues pruned to eliminate duplicates Z: 6 3.406 1.426 0.667 0.246 0.800 0.600 CA 1.074 6 residues pruned to eliminate duplicates Z: 9 5.670 1.462 0.944 0.337 0.750 0.500 O 1.123 10 residues pruned to eliminate duplicates Z: 7 3.974 1.787 0.505 0.204 0.833 0.500 CB 1.028 7 residues pruned to eliminate duplicates Z: 13 9.423 1.779 0.565 0.423 0.750 0.500 O 1.411 13 residues pruned to eliminate duplicates Z: 6 9.872 2.107 0.514 0.514 0.800 0.600 CB 1.706 6 residues pruned to eliminate duplicates Z: 13 6.037 1.787 0.623 0.296 0.667 0.417 CB 1.132 13 residues pruned to eliminate duplicates Z: 17 11.540 1.960 0.443 0.441 0.750 0.500 CB 1.446 17 residues pruned to eliminate duplicates Z: 19 11.753 1.883 0.529 0.402 0.778 0.333 CB 1.372 19 residues pruned to eliminate duplicates Z: 10 3.679 1.686 0.660 0.167 0.556 0.333 CB 1.183 10 residues pruned to eliminate duplicates Z: 11 6.831 1.783 0.218 0.516 0.900 0.500 CB 1.088 11 residues pruned to eliminate duplicates Z: 6 3.010 1.345 0.580 0.447 1.000 0.600 N 0.669 6 residues pruned to eliminate duplicates Z: 13 10.838 1.848 0.553 0.560 0.750 0.417 N 1.370 13 residues pruned to eliminate duplicates Z: 11 9.435 1.868 0.412 0.655 0.800 0.400 CB 1.224 11 residues pruned to eliminate duplicates Z: 11 11.320 1.881 0.331 0.643 0.900 0.400 CB 1.390 11 residues pruned to eliminate duplicates Z: 6 4.288 1.666 0.446 0.257 1.000 0.400 CB 1.051 5 residues pruned to eliminate duplicates Z: 6 4.089 1.576 0.505 0.422 1.000 0.400 N 0.836 6 residues pruned to eliminate duplicates Z: 20 15.327 1.966 0.298 0.401 1.000 0.474 CB 1.530 20 residues pruned to eliminate duplicates Z: 6 4.052 1.453 0.264 0.291 1.000 0.400 O 1.247 Z: 7 5.945 1.612 0.625 0.317 0.833 0.167 O 1.362 Z: 6 5.852 1.431 0.337 0.800 1.000 0.800 CA 1.052 Z: 9 8.838 1.582 0.597 0.558 1.000 0.625 CB 1.169 16 residues pruned to eliminate duplicates Z: 8 7.454 1.707 0.632 0.494 0.857 0.429 O 1.188 7 residues pruned to eliminate duplicates 6 1.800 1.294 0.478 0.351 0.600 0.200 O 0.825 ? Z: 8 5.998 1.608 0.410 0.441 0.857 0.429 CB 1.240 Z: 8 4.775 1.540 0.652 0.524 0.571 0.429 CB 1.212 5 residues pruned to eliminate duplicates Z: 8 5.122 1.434 0.376 0.489 0.857 0.571 N 1.158 Z: 6 5.304 1.951 0.409 0.301 0.800 0.000 CB 1.348 Z: 6 8.894 1.714 0.848 0.409 1.000 0.600 CB 1.381 Z: 6 4.955 1.877 0.631 0.336 0.800 0.600 CA 1.082 6 residues pruned to eliminate duplicates Z: 39 19.255 1.880 0.507 0.426 0.921 0.605 CB 1.292 39 residues pruned to eliminate duplicates Z: 36 19.398 1.852 0.407 0.510 0.943 0.714 CB 1.322 38 residues pruned to eliminate duplicates Z: 6 2.653 1.225 1.078 0.301 0.600 0.600 O 0.969 Z: 6 4.073 1.510 0.130 0.496 1.000 0.600 CB 1.072 Z: 7 9.286 2.005 0.255 0.566 1.000 1.000 CB 1.413 13 residues pruned to eliminate duplicates Z: 32 24.479 1.971 0.556 0.534 0.968 0.613 CB 1.434 32 residues pruned to eliminate duplicates Z: 18 18.639 1.948 0.541 0.486 1.000 0.765 N 1.528 18 residues pruned to eliminate duplicates Z: 25 17.138 1.927 0.523 0.503 0.917 0.625 CB 1.297 25 residues pruned to eliminate duplicates Z: 24 21.835 1.953 0.674 0.536 0.913 0.522 CB 1.471 24 residues pruned to eliminate duplicates Z: 40 22.534 1.876 0.534 0.482 0.949 0.564 CB 1.345 39 residues pruned to eliminate duplicates Z: 16 20.468 1.782 1.015 0.832 0.800 0.467 CB 1.381 16 residues pruned to eliminate duplicates Z: 49 28.217 1.917 0.587 0.563 0.958 0.688 CB 1.313 49 residues pruned to eliminate duplicates Z: 48 27.915 1.906 0.706 0.577 0.894 0.660 CB 1.301 48 residues pruned to eliminate duplicates Z: 52 31.373 1.899 0.673 0.575 0.980 0.667 CB 1.312 58 residues pruned to eliminate duplicates Z: 20 22.624 1.879 0.727 0.895 1.000 0.632 CB 1.147 20 residues pruned to eliminate duplicates Z: 32 32.265 1.986 0.805 0.656 0.968 0.677 CB 1.445 32 residues pruned to eliminate duplicates Z: 48 33.113 1.942 0.732 0.600 0.979 0.596 CB 1.334 50 residues pruned to eliminate duplicates Z: 12 18.146 1.727 0.975 0.874 1.000 0.818 CB 1.167 12 residues pruned to eliminate duplicates Z: 50 32.194 1.895 0.723 0.626 0.959 0.694 CB 1.305 50 residues pruned to eliminate duplicates Z: 28 28.368 1.939 0.746 0.705 0.963 0.704 CB 1.390 28 residues pruned to eliminate duplicates Z: 34 28.463 1.983 0.656 0.635 0.970 0.515 CB 1.371 34 residues pruned to eliminate duplicates Z: 58 25.968 1.863 0.586 0.482 0.895 0.404 CB 1.325 58 residues pruned to eliminate duplicates Z: 33 27.333 1.969 0.665 0.635 0.969 0.500 CB 1.341 33 residues pruned to eliminate duplicates 7 1.842 1.484 0.154 0.320 0.667 0.000 CB 0.803 ? Z: 43 22.654 1.788 0.803 0.567 0.857 0.357 CB 1.185 43 residues pruned to eliminate duplicates Z: 39 29.306 1.859 0.800 0.699 0.921 0.553 CB 1.286 38 residues pruned to eliminate duplicates Z: 11 16.983 1.991 0.294 0.894 1.000 0.800 CB 1.496 11 residues pruned to eliminate duplicates Z: 15 13.194 1.866 0.577 0.650 0.857 0.571 CB 1.217 15 residues pruned to eliminate duplicates Z: 19 11.503 1.813 0.420 0.564 0.889 0.556 CB 1.113 19 residues pruned to eliminate duplicates Z: 35 16.004 1.944 0.265 0.521 0.912 0.471 CB 1.199 35 residues pruned to eliminate duplicates Z: 16 13.380 1.893 0.285 0.669 0.933 0.667 CB 1.301 16 residues pruned to eliminate duplicates Z: 12 15.286 2.083 0.428 0.715 0.909 0.727 CB 1.402 12 residues pruned to eliminate duplicates Z: 14 9.516 1.879 0.369 0.580 0.769 0.692 CB 1.235 14 residues pruned to eliminate duplicates Z: 12 15.455 2.018 0.508 0.650 0.909 0.636 CB 1.464 12 residues pruned to eliminate duplicates Z: 47 29.130 1.908 0.614 0.644 0.891 0.522 CB 1.367 47 residues pruned to eliminate duplicates Z: 33 18.975 1.954 0.450 0.469 0.969 0.562 CB 1.261 44 residues pruned to eliminate duplicates Z: 6 5.737 1.948 0.172 0.406 1.000 0.800 CB 1.240 6 residues pruned to eliminate duplicates Z: 33 16.694 1.966 0.447 0.451 0.906 0.531 CB 1.203 33 residues pruned to eliminate duplicates Z: 26 8.851 1.813 0.399 0.404 0.720 0.320 CB 1.073 26 residues pruned to eliminate duplicates Z: 87 32.087 1.899 0.525 0.514 0.965 0.465 CB 1.221 84 residues pruned to eliminate duplicates Z: 6 3.370 1.393 0.510 0.389 1.000 0.600 N 0.806 6 residues pruned to eliminate duplicates Z: 34 14.154 1.879 0.453 0.423 0.909 0.424 CB 1.075 34 residues pruned to eliminate duplicates Z: 9 5.129 1.832 0.462 0.253 0.750 0.250 CB 1.199 9 residues pruned to eliminate duplicates Z: 31 12.300 1.881 0.440 0.400 0.800 0.500 CB 1.151 31 residues pruned to eliminate duplicates Z: 27 11.842 1.905 0.508 0.395 0.846 0.462 CB 1.068 27 residues pruned to eliminate duplicates Z: 6 4.526 1.492 0.714 0.237 1.000 0.600 CB 1.074 6 residues pruned to eliminate duplicates Z: 33 10.505 1.824 0.350 0.279 0.844 0.344 CB 1.148 33 residues pruned to eliminate duplicates Z: 12 11.529 2.046 0.490 0.477 1.000 0.455 CB 1.168 12 residues pruned to eliminate duplicates Z: 21 13.019 1.933 0.431 0.426 0.900 0.450 CB 1.263 21 residues pruned to eliminate duplicates Z: 21 10.028 1.883 0.482 0.335 0.850 0.450 CB 1.132 21 residues pruned to eliminate duplicates Z: 35 16.596 1.877 0.549 0.455 0.941 0.529 CB 1.089 35 residues pruned to eliminate duplicates Z: 13 12.136 1.971 0.373 0.558 1.000 0.250 CB 1.223 13 residues pruned to eliminate duplicates Z: 36 18.240 1.936 0.447 0.471 0.971 0.657 CB 1.166 36 residues pruned to eliminate duplicates Z: 32 17.356 2.001 0.286 0.501 0.968 0.516 CB 1.250 32 residues pruned to eliminate duplicates Z: 32 13.730 1.876 0.429 0.464 0.935 0.516 CB 1.020 32 residues pruned to eliminate duplicates Z: 16 9.766 1.841 0.380 0.486 0.933 0.600 CB 1.079 16 residues pruned to eliminate duplicates Z: 6 7.061 1.819 0.592 0.483 1.000 0.800 CB 1.110 6 residues pruned to eliminate duplicates Z: 6 3.609 1.457 0.806 0.303 0.600 0.600 N 1.273 6 residues pruned to eliminate duplicates Z: 11 10.436 1.955 0.428 0.630 1.000 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 18 14.497 1.933 0.546 0.496 0.941 0.706 CB 1.255 18 residues pruned to eliminate duplicates Z: 23 14.348 1.928 0.420 0.422 0.909 0.545 CB 1.332 22 residues pruned to eliminate duplicates Z: 8 4.945 1.396 1.067 0.353 0.714 0.429 N 1.063 8 residues pruned to eliminate duplicates Z: 26 15.553 1.891 0.476 0.385 0.920 0.640 CB 1.370 26 residues pruned to eliminate duplicates Z: 26 15.078 1.861 0.451 0.413 0.920 0.640 CB 1.330 26 residues pruned to eliminate duplicates Z: 22 19.067 1.937 0.739 0.427 0.905 0.524 CB 1.474 24 residues pruned to eliminate duplicates Z: 7 6.455 1.452 0.725 0.440 1.000 0.833 N 1.119 Z: 7 5.003 1.398 0.691 0.400 0.833 0.333 CA 1.152 7 residues pruned to eliminate duplicates Z: 54 31.065 1.966 0.411 0.643 0.943 0.830 CB 1.427 61 residues pruned to eliminate duplicates Z: 53 30.881 1.988 0.496 0.571 0.923 0.827 CB 1.456 53 residues pruned to eliminate duplicates Z: 25 14.935 1.880 0.522 0.379 0.917 0.542 CB 1.322 25 residues pruned to eliminate duplicates Z: 34 17.404 1.910 0.516 0.413 0.909 0.485 CB 1.260 33 residues pruned to eliminate duplicates Z: 6 4.697 1.841 0.165 0.383 0.800 0.400 N 1.386 6 residues pruned to eliminate duplicates Z: 30 32.680 2.078 0.361 0.815 1.000 0.862 CB 1.632 30 residues pruned to eliminate duplicates Z: 31 31.028 2.046 0.343 0.769 1.000 0.900 CB 1.625 31 residues pruned to eliminate duplicates Z: 41 24.888 1.965 0.287 0.606 0.900 0.650 CB 1.563 41 residues pruned to eliminate duplicates Z: 31 32.321 2.031 0.389 0.775 1.000 0.933 CB 1.640 31 residues pruned to eliminate duplicates Z: 52 35.316 2.010 0.546 0.616 0.980 0.706 CB 1.456 52 residues pruned to eliminate duplicates Z: 34 29.985 2.037 0.351 0.742 0.970 0.848 CB 1.575 34 residues pruned to eliminate duplicates Z: 58 30.639 1.966 0.427 0.586 0.912 0.702 CB 1.459 58 residues pruned to eliminate duplicates Z: 45 32.746 1.988 0.441 0.661 0.955 0.750 CB 1.554 45 residues pruned to eliminate duplicates Z: 32 33.115 2.046 0.458 0.787 0.935 0.903 CB 1.656 32 residues pruned to eliminate duplicates Z: 30 36.252 2.073 0.536 0.805 1.000 0.862 CB 1.620 30 residues pruned to eliminate duplicates Z: 54 38.523 2.012 0.529 0.638 1.000 0.736 CB 1.511 54 residues pruned to eliminate duplicates Z: 52 35.880 2.014 0.491 0.626 0.980 0.784 CB 1.517 52 residues pruned to eliminate duplicates Z: 22 26.800 1.982 0.249 0.954 1.000 0.905 CB 1.624 22 residues pruned to eliminate duplicates Z: 73 40.104 2.001 0.578 0.589 0.931 0.694 CB 1.477 74 residues pruned to eliminate duplicates Z: 22 28.701 1.967 0.433 0.919 1.000 0.857 CB 1.565 22 residues pruned to eliminate duplicates Z: 29 33.641 2.060 0.585 0.789 0.964 0.893 CB 1.567 29 residues pruned to eliminate duplicates Z: 53 40.130 2.033 0.621 0.630 0.981 0.731 CB 1.523 53 residues pruned to eliminate duplicates Z: 30 41.747 2.091 0.760 0.825 1.000 0.828 CB 1.590 30 residues pruned to eliminate duplicates Z: 52 42.998 2.033 0.698 0.650 1.000 0.784 CB 1.517 52 residues pruned to eliminate duplicates Z: 23 29.772 1.938 0.541 0.914 1.000 0.773 CB 1.503 23 residues pruned to eliminate duplicates Z: 33 34.034 1.985 0.657 0.700 0.969 0.812 CB 1.574 33 residues pruned to eliminate duplicates Z: 33 33.999 2.023 0.552 0.728 0.969 0.844 CB 1.608 33 residues pruned to eliminate duplicates Z: 55 37.442 2.005 0.666 0.609 0.944 0.722 CB 1.455 55 residues pruned to eliminate duplicates Z: 53 37.535 2.037 0.605 0.622 0.942 0.712 CB 1.507 53 residues pruned to eliminate duplicates Z: 22 31.197 1.982 0.580 0.930 1.000 0.857 CB 1.520 22 residues pruned to eliminate duplicates Z: 32 33.953 2.061 0.514 0.741 0.968 0.806 CB 1.628 32 residues pruned to eliminate duplicates Z: 32 38.084 2.046 0.717 0.760 0.968 0.806 CB 1.597 32 residues pruned to eliminate duplicates Z: 74 33.860 1.950 0.581 0.555 0.932 0.740 CB 1.309 74 residues pruned to eliminate duplicates Z: 41 31.830 1.977 0.740 0.657 0.925 0.600 CB 1.366 41 residues pruned to eliminate duplicates Z: 58 37.781 1.998 0.611 0.604 0.965 0.719 CB 1.459 58 residues pruned to eliminate duplicates Z: 34 34.464 2.005 0.682 0.697 1.000 0.667 CB 1.487 34 residues pruned to eliminate duplicates Z: 57 38.179 1.979 0.700 0.591 0.964 0.625 CB 1.441 57 residues pruned to eliminate duplicates Z: 10 9.971 1.619 0.336 0.800 1.000 0.667 CB 1.182 Z: 15 16.345 1.737 0.331 0.852 1.000 0.714 CB 1.397 25 residues pruned to eliminate duplicates Z: 9 8.929 1.886 0.180 0.787 0.875 0.875 CB 1.259 Z: 14 21.479 1.852 0.563 0.859 1.000 0.846 CB 1.514 23 residues pruned to eliminate duplicates Z: 77 40.498 1.963 0.569 0.594 0.947 0.737 CB 1.455 77 residues pruned to eliminate duplicates Z: 26 17.182 1.913 0.339 0.537 1.000 0.520 CB 1.294 26 residues pruned to eliminate duplicates Z: 38 21.156 1.913 0.512 0.543 0.973 0.595 CB 1.185 38 residues pruned to eliminate duplicates Z: 13 18.509 1.821 0.460 0.842 1.000 0.583 N 1.498 13 residues pruned to eliminate duplicates Z: 23 17.655 1.913 0.550 0.587 0.909 0.682 CB 1.284 23 residues pruned to eliminate duplicates Z: 16 11.384 1.958 0.371 0.502 1.000 0.467 CB 1.094 16 residues pruned to eliminate duplicates Z: 61 33.301 1.958 0.612 0.525 0.900 0.517 CB 1.476 61 residues pruned to eliminate duplicates Z: 14 10.896 1.984 0.776 0.466 0.769 0.462 CB 1.154 14 residues pruned to eliminate duplicates Z: 13 14.084 1.983 0.735 0.355 0.917 0.333 CB 1.507 13 residues pruned to eliminate duplicates Z: 74 34.294 1.986 0.579 0.501 0.890 0.562 CB 1.436 74 residues pruned to eliminate duplicates Z: 20 9.869 1.942 0.409 0.368 0.842 0.368 CB 1.132 20 residues pruned to eliminate duplicates Z: 55 37.192 2.009 0.605 0.602 0.944 0.667 CB 1.507 55 residues pruned to eliminate duplicates Z: 51 27.215 1.881 0.542 0.570 0.880 0.560 CB 1.409 51 residues pruned to eliminate duplicates Z: 33 16.202 1.869 0.535 0.406 0.844 0.406 CB 1.306 33 residues pruned to eliminate duplicates Z: 33 16.602 1.841 0.460 0.522 0.906 0.531 CB 1.178 33 residues pruned to eliminate duplicates Z: 22 10.034 1.835 0.397 0.346 0.857 0.571 CB 1.179 22 residues pruned to eliminate duplicates Z: 17 8.386 1.989 0.295 0.367 0.750 0.312 CB 1.251 17 residues pruned to eliminate duplicates Z: 40 20.600 1.857 0.574 0.538 0.923 0.436 CB 1.179 40 residues pruned to eliminate duplicates Z: 7 8.455 1.917 0.575 0.677 1.000 0.833 CB 0.971 7 residues pruned to eliminate duplicates Z: 23 11.904 1.797 0.481 0.460 0.864 0.545 CB 1.151 23 residues pruned to eliminate duplicates Z: 31 15.484 1.884 0.457 0.517 0.867 0.567 CB 1.169 31 residues pruned to eliminate duplicates Z: 37 20.348 1.916 0.509 0.545 0.917 0.444 CB 1.225 37 residues pruned to eliminate duplicates Z: 11 7.188 1.802 0.396 0.546 0.900 0.500 CB 0.960 Z: 8 12.942 1.836 1.054 0.564 0.857 0.429 CA 1.422 19 residues pruned to eliminate duplicates Z: 7 7.773 1.740 0.845 0.597 0.833 0.333 CB 1.081 7 residues pruned to eliminate duplicates Z: 39 23.370 1.898 0.588 0.568 0.947 0.579 CB 1.243 39 residues pruned to eliminate duplicates Z: 15 12.700 1.859 0.834 0.572 0.929 0.571 CB 1.001 15 residues pruned to eliminate duplicates Z: 14 11.748 1.694 0.991 0.609 0.923 0.615 CB 0.944 14 residues pruned to eliminate duplicates Z: 11 12.498 1.675 1.169 0.655 0.900 0.600 CB 1.046 11 residues pruned to eliminate duplicates Z: 11 7.018 1.613 0.440 0.444 0.800 0.400 CB 1.264 7 residues pruned to eliminate duplicates Z: 7 4.424 1.491 0.606 0.285 0.833 0.333 N 1.154 7 residues pruned to eliminate duplicates Z: 18 11.368 1.837 0.713 0.447 0.824 0.588 CB 1.124 18 residues pruned to eliminate duplicates Z: 9 4.030 1.859 0.193 0.335 0.750 0.375 CB 1.026 9 residues pruned to eliminate duplicates Z: 20 13.563 1.788 0.594 0.534 0.947 0.789 CB 1.115 20 residues pruned to eliminate duplicates Z: 8 5.113 1.254 1.006 0.407 0.857 0.571 O 0.988 8 residues pruned to eliminate duplicates Z: 18 12.250 1.902 0.346 0.534 0.941 0.529 CB 1.192 18 residues pruned to eliminate duplicates Z: 17 13.434 1.881 0.451 0.560 0.938 0.688 CB 1.238 17 residues pruned to eliminate duplicates Z: 18 11.594 1.827 0.378 0.537 0.882 0.765 CB 1.221 18 residues pruned to eliminate duplicates Z: 6 3.871 1.528 0.248 0.346 1.000 0.800 N 1.073 6 residues pruned to eliminate duplicates Z: 19 9.633 1.782 0.525 0.465 0.833 0.556 CB 1.040 19 residues pruned to eliminate duplicates Z: 6 2.667 1.315 0.535 0.328 0.800 0.400 N 0.891 Z: 6 3.861 1.555 0.805 0.472 1.000 0.800 CB 0.633 Z: 19 15.438 1.750 0.327 0.827 1.000 0.944 CB 1.181 19 residues pruned to eliminate duplicates Z: 18 10.418 1.732 0.394 0.367 0.882 0.471 CB 1.368 18 residues pruned to eliminate duplicates Z: 18 10.630 1.821 0.242 0.429 0.941 0.706 CB 1.304 18 residues pruned to eliminate duplicates Z: 22 12.452 1.812 0.359 0.535 0.952 0.762 CB 1.120 22 residues pruned to eliminate duplicates Z: 35 18.577 1.791 0.597 0.438 0.912 0.588 CB 1.302 35 residues pruned to eliminate duplicates Z: 25 23.196 1.899 0.592 0.709 0.958 0.750 CB 1.352 25 residues pruned to eliminate duplicates Z: 19 15.955 1.865 0.529 0.611 1.000 0.778 CB 1.187 19 residues pruned to eliminate duplicates Z: 32 19.578 1.825 0.356 0.639 0.935 0.806 CB 1.334 32 residues pruned to eliminate duplicates Z: 29 21.994 1.848 0.559 0.670 0.893 0.750 CB 1.381 29 residues pruned to eliminate duplicates Z: 25 16.719 1.803 0.397 0.517 0.958 0.542 CB 1.390 25 residues pruned to eliminate duplicates Z: 31 22.366 1.821 0.517 0.659 0.967 0.600 CB 1.319 31 residues pruned to eliminate duplicates Z: 29 24.817 1.852 0.555 0.714 1.000 0.750 CB 1.341 37 residues pruned to eliminate duplicates Z: 14 16.440 1.694 0.851 0.867 0.846 0.769 CB 1.258 14 residues pruned to eliminate duplicates Z: 19 24.127 1.881 0.726 0.864 1.000 0.667 CB 1.284 19 residues pruned to eliminate duplicates Z: 27 16.778 1.827 0.511 0.532 0.846 0.538 CB 1.365 27 residues pruned to eliminate duplicates Z: 20 19.732 1.862 0.457 0.870 0.947 0.842 CB 1.286 20 residues pruned to eliminate duplicates Z: 26 19.835 1.888 0.576 0.593 0.840 0.680 CB 1.452 27 residues pruned to eliminate duplicates Z: 19 22.417 1.841 0.591 0.916 1.000 0.667 CB 1.273 19 residues pruned to eliminate duplicates Z: 26 15.450 1.833 0.357 0.532 0.920 0.560 CB 1.308 26 residues pruned to eliminate duplicates Z: 30 18.405 1.836 0.539 0.572 0.897 0.759 CB 1.259 30 residues pruned to eliminate duplicates Z: 31 11.703 1.820 0.451 0.406 0.767 0.300 CB 1.164 31 residues pruned to eliminate duplicates Z: 13 14.069 1.942 0.434 0.669 0.833 0.583 N 1.497 13 residues pruned to eliminate duplicates Z: 19 12.311 1.747 0.611 0.514 0.833 0.444 CB 1.220 19 residues pruned to eliminate duplicates Z: 14 14.763 1.941 0.398 0.735 0.923 0.769 CB 1.323 14 residues pruned to eliminate duplicates Z: 21 12.407 1.823 0.404 0.567 0.950 0.650 CB 1.069 15 residues pruned to eliminate duplicates Z: 13 15.384 1.907 0.438 0.749 0.917 0.667 CB 1.415 13 residues pruned to eliminate duplicates Z: 29 14.101 1.890 0.399 0.483 0.893 0.536 CB 1.149 33 residues pruned to eliminate duplicates Z: 11 12.142 2.087 0.158 0.873 0.800 0.800 CB 1.447 11 residues pruned to eliminate duplicates Z: 14 14.766 2.027 0.410 0.742 0.846 0.615 CB 1.363 14 residues pruned to eliminate duplicates Z: 19 14.984 1.926 0.393 0.682 0.833 0.611 CB 1.336 19 residues pruned to eliminate duplicates Z: 26 13.304 1.927 0.311 0.534 0.800 0.600 CB 1.274 26 residues pruned to eliminate duplicates Z: 18 14.461 1.941 0.207 0.673 0.882 0.471 CB 1.447 18 residues pruned to eliminate duplicates Z: 17 17.060 1.894 0.339 0.714 1.000 0.688 N 1.384 17 residues pruned to eliminate duplicates Z: 30 14.117 1.856 0.428 0.467 0.793 0.448 CB 1.290 30 residues pruned to eliminate duplicates Z: 28 14.518 1.923 0.420 0.459 0.778 0.481 CB 1.371 28 residues pruned to eliminate duplicates Z: 37 12.043 1.825 0.307 0.393 0.778 0.472 CB 1.211 37 residues pruned to eliminate duplicates Z: 26 17.462 1.922 0.477 0.484 0.880 0.480 CB 1.421 26 residues pruned to eliminate duplicates Z: 29 14.300 1.880 0.418 0.459 0.786 0.393 CB 1.345 29 residues pruned to eliminate duplicates Z: 26 17.533 1.988 0.454 0.457 0.960 0.480 CB 1.320 26 residues pruned to eliminate duplicates Z: 6 4.856 1.883 0.706 0.175 0.800 0.400 N 1.253 Z: 8 6.446 1.656 0.690 0.501 0.857 0.143 CB 1.015 14 residues pruned to eliminate duplicates Z: 9 2.565 1.756 0.712 0.225 0.500 0.375 CB 0.832 9 residues pruned to eliminate duplicates Z: 23 13.230 1.970 0.297 0.513 0.818 0.500 CB 1.331 23 residues pruned to eliminate duplicates Z: 25 18.605 1.891 0.771 0.518 0.875 0.542 CB 1.273 25 residues pruned to eliminate duplicates Z: 16 11.084 1.799 0.646 0.398 0.933 0.600 CB 1.152 26 residues pruned to eliminate duplicates 6 1.714 1.403 0.540 0.353 0.600 0.600 N 0.694 ? Z: 8 3.196 1.146 0.468 0.342 1.000 0.286 CB 0.852 Z: 6 6.104 1.487 0.203 0.855 1.000 0.600 CB 1.126 Z: 6 6.399 1.437 0.639 0.763 1.000 0.600 CB 0.962 6 residues pruned to eliminate duplicates Z: 6 5.855 1.371 0.748 0.802 1.000 0.400 CA 0.840 5 residues pruned to eliminate duplicates Z: 6 5.811 1.625 0.235 0.386 1.000 0.800 O 1.462 6 residues pruned to eliminate duplicates Z: 10 9.847 1.810 0.340 0.406 1.000 0.556 CA 1.495 11 residues pruned to eliminate duplicates Z: 7 4.719 1.490 0.384 0.408 0.833 0.333 CB 1.235 7 residues pruned to eliminate duplicates Z: 10 5.641 1.767 0.130 0.355 0.889 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 11 6.515 1.785 0.202 0.529 0.800 0.700 N 1.166 11 residues pruned to eliminate duplicates Z: 11 6.350 1.739 0.172 0.400 0.900 0.400 CB 1.216 11 residues pruned to eliminate duplicates Z: 14 7.250 1.647 0.423 0.400 0.769 0.462 CB 1.240 12 residues pruned to eliminate duplicates Z: 9 4.405 1.240 0.654 0.659 0.875 0.750 N 0.749 Z: 6 5.859 1.524 0.580 0.417 1.000 0.800 CA 1.185 6 residues pruned to eliminate duplicates Z: 18 9.184 1.782 0.373 0.372 0.882 0.588 CB 1.183 18 residues pruned to eliminate duplicates Z: 20 10.168 1.710 0.413 0.365 0.842 0.579 CB 1.325 20 residues pruned to eliminate duplicates Z: 15 8.823 1.741 0.478 0.328 0.929 0.500 CB 1.191 15 residues pruned to eliminate duplicates Z: 14 6.990 1.720 0.438 0.390 0.769 0.538 CB 1.144 14 residues pruned to eliminate duplicates Z: 25 11.206 1.674 0.351 0.464 0.917 0.625 CB 1.144 25 residues pruned to eliminate duplicates Z: 27 13.629 1.714 0.452 0.387 0.962 0.577 CB 1.260 27 residues pruned to eliminate duplicates Z: 6 2.511 1.665 0.417 0.205 0.600 0.400 CB 1.125 6 residues pruned to eliminate duplicates Z: 7 8.499 1.697 0.608 0.635 1.000 0.667 N 1.120 7 residues pruned to eliminate duplicates Z: 7 7.312 1.671 0.448 0.645 1.000 0.500 CB 1.078 7 residues pruned to eliminate duplicates Z: 18 16.209 1.850 0.319 0.794 0.941 0.706 CB 1.324 18 residues pruned to eliminate duplicates Z: 20 16.993 1.827 0.468 0.775 0.895 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 8 4.652 1.620 0.404 0.543 0.714 0.286 CB 1.037 8 residues pruned to eliminate duplicates Z: 28 23.161 1.761 0.616 0.714 0.963 0.667 CB 1.340 28 residues pruned to eliminate duplicates Z: 29 20.571 1.734 0.631 0.630 0.929 0.714 CB 1.311 29 residues pruned to eliminate duplicates Z: 22 15.753 1.703 0.506 0.696 0.905 0.667 CB 1.238 22 residues pruned to eliminate duplicates Z: 20 17.922 1.751 0.651 0.718 0.947 0.632 CB 1.233 20 residues pruned to eliminate duplicates Z: 22 17.154 1.812 0.571 0.728 0.762 0.524 CB 1.405 22 residues pruned to eliminate duplicates Z: 17 21.857 1.862 0.739 0.859 0.875 0.625 CB 1.420 17 residues pruned to eliminate duplicates Z: 19 23.272 1.809 0.892 0.793 0.889 0.778 CB 1.395 21 residues pruned to eliminate duplicates Z: 14 21.129 1.742 0.963 0.887 1.000 0.692 CB 1.236 12 residues pruned to eliminate duplicates Z: 16 21.991 1.848 0.599 0.900 1.000 0.600 CB 1.372 16 residues pruned to eliminate duplicates Z: 16 14.168 1.813 0.688 0.726 0.733 0.467 CB 1.329 16 residues pruned to eliminate duplicates Z: 25 21.401 1.756 0.823 0.747 0.958 0.708 CB 1.142 25 residues pruned to eliminate duplicates Z: 16 15.583 1.727 0.930 0.699 0.933 0.467 N 1.078 16 residues pruned to eliminate duplicates Z: 18 15.157 1.775 0.677 0.652 0.824 0.353 CB 1.301 18 residues pruned to eliminate duplicates Z: 24 8.575 1.680 0.314 0.484 0.783 0.391 CB 1.052 24 residues pruned to eliminate duplicates Z: 18 10.288 1.794 0.303 0.553 0.882 0.412 CB 1.148 18 residues pruned to eliminate duplicates Z: 9 5.917 2.008 0.396 0.353 0.625 0.000 CB 1.399 9 residues pruned to eliminate duplicates Z: 10 5.196 1.858 0.520 0.517 0.444 0.333 CB 1.357 10 residues pruned to eliminate duplicates Z: 15 10.880 1.928 0.414 0.571 0.786 0.500 CB 1.267 15 residues pruned to eliminate duplicates Z: 9 4.002 1.920 0.373 0.424 0.500 0.375 CB 1.162 9 residues pruned to eliminate duplicates Z: 11 12.008 1.982 0.445 0.681 0.900 0.500 CB 1.247 11 residues pruned to eliminate duplicates Z: 15 9.831 1.951 0.272 0.639 0.786 0.429 CB 1.184 15 residues pruned to eliminate duplicates Z: 29 19.492 1.808 0.695 0.585 0.821 0.500 CB 1.349 32 residues pruned to eliminate duplicates Z: 11 12.648 1.891 0.511 0.797 0.900 0.700 CB 1.198 11 residues pruned to eliminate duplicates Z: 17 11.286 1.808 0.555 0.572 0.750 0.438 CB 1.249 17 residues pruned to eliminate duplicates Z: 16 11.772 1.963 0.408 0.582 0.800 0.400 CB 1.271 16 residues pruned to eliminate duplicates Z: 20 8.664 1.887 0.546 0.448 0.737 0.474 CB 0.976 20 residues pruned to eliminate duplicates Z: 15 11.740 1.838 0.564 0.589 0.929 0.500 CB 1.079 11 residues pruned to eliminate duplicates Z: 14 14.751 1.953 0.452 0.707 0.923 0.615 CB 1.294 17 residues pruned to eliminate duplicates Z: 8 3.983 1.685 0.450 0.369 0.714 0.429 CB 0.994 6 1.750 1.312 0.775 0.355 1.000 0.800 CA 0.393 ? Z: 6 3.652 1.275 0.594 0.413 1.000 0.600 N 0.880 6 residues pruned to eliminate duplicates Z: 10 14.051 1.954 0.685 0.552 0.889 0.667 CB 1.521 10 residues pruned to eliminate duplicates Z: 12 13.846 1.932 0.630 0.456 0.909 0.636 CB 1.525 45 residues pruned to eliminate duplicates 7 1.713 1.354 0.678 0.152 0.500 0.333 N 0.944 ? 631 residues left after pruning, divided into chains as follows: A: 8 B: 25 C: 9 D: 7 E: 6 F: 19 G: 8 H: 17 I: 6 J: 11 K: 8 L: 11 M: 8 N: 12 O: 11 P: 8 Q: 16 R: 19 S: 22 T: 10 U: 86 V: 90 W: 10 X: 26 Y: 39 Z: 25 Z: 7 Z: 7 Z: 20 Z: 43 Z: 8 Z: 12 Z: 17 CC for partial structure against native data = 31.94 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.522, Connect. = 0.668 for dens.mod. cycle 1 = 0.300, Contrast = 0.600, Connect. = 0.694 for dens.mod. cycle 2 = 0.300, Contrast = 0.689, Connect. = 0.730 for dens.mod. cycle 3 = 0.300, Contrast = 0.694, Connect. = 0.732 for dens.mod. cycle 4 = 0.300, Contrast = 0.700, Connect. = 0.735 for dens.mod. cycle 5 = 0.300, Contrast = 0.700, Connect. = 0.737 for dens.mod. cycle 6 = 0.300, Contrast = 0.702, Connect. = 0.739 for dens.mod. cycle 7 = 0.300, Contrast = 0.701, Connect. = 0.740 for dens.mod. cycle 8 = 0.300, Contrast = 0.702, Connect. = 0.741 for dens.mod. cycle 9 = 0.300, Contrast = 0.700, Connect. = 0.742 for dens.mod. cycle 10 TimeTaking 115.42