++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 22:03:41 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: ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.ins Phases from ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.phi Native data from ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.hkl Listing output to ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.lst Phases output to ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.phs Poly-Ala trace output to ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.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 56225 Reflections read from file ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.phi 56225 Reflections read from file ./2o62-1.8-parrot-noncs/2o62-1.8-parrot-noncs.hkl 56225 Unique data, highest resolution = 1.750 Angstroms Anisotropic scaling: intensities multiplied by 0.000240h^2 -0.000081k^2 -0.000010l^2 +0.000000kl +0.000000hl +0.000000hk 283 Reflections with d > 1.950 and 0 in range 1.950 > d > 1.750 added Density sharpening factor set to 1.12 Fourier grid = 128 x 128 x 57 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.678 = 0.219, Contrast = 0.069, Connect. = 0.486 for dens.mod. cycle 1 = 0.241, Contrast = 0.207, Connect. = 0.557 for dens.mod. cycle 2 = 0.264, Contrast = 0.320, Connect. = 0.610 for dens.mod. cycle 3 = 0.277, Contrast = 0.407, Connect. = 0.643 for dens.mod. cycle 4 = 0.287, Contrast = 0.475, Connect. = 0.670 for dens.mod. cycle 5 = 0.296, Contrast = 0.528, Connect. = 0.691 for dens.mod. cycle 6 = 0.300, Contrast = 0.564, Connect. = 0.705 for dens.mod. cycle 7 = 0.300, Contrast = 0.592, Connect. = 0.715 for dens.mod. cycle 8 = 0.300, Contrast = 0.616, Connect. = 0.724 for dens.mod. cycle 9 = 0.300, Contrast = 0.633, Connect. = 0.729 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3973 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 617 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 6 5.523 1.485 1.007 0.445 0.800 0.600 CB 1.096 B: 8 8.101 1.682 0.666 0.639 0.857 0.286 CB 1.119 C: 19 10.386 1.763 0.624 0.397 0.833 0.667 CB 1.144 D: 6 5.926 1.724 0.465 0.471 0.800 0.800 C 1.351 E: 22 11.254 1.701 0.913 0.341 0.810 0.571 CB 1.109 F: 11 5.869 1.701 0.396 0.341 0.800 0.500 CB 1.162 G: 10 6.491 1.457 0.876 0.413 0.778 0.444 CB 1.114 9 residues pruned to eliminate duplicates H: 10 3.228 1.588 0.179 0.279 0.778 0.556 CB 0.949 I: 11 10.428 1.858 0.740 0.422 0.900 0.600 CA 1.229 J: 18 13.716 1.819 0.486 0.470 0.941 0.529 CB 1.349 K: 17 18.440 1.856 0.807 0.579 1.000 0.500 CB 1.274 10 residues pruned to eliminate duplicates L: 21 16.813 1.802 0.970 0.577 0.800 0.550 CB 1.229 6 residues pruned to eliminate duplicates M: 8 9.408 1.781 0.521 0.764 0.857 0.857 CB 1.211 4 residues pruned to eliminate duplicates N: 41 21.071 1.816 0.673 0.531 0.900 0.575 CB 1.181 36 residues pruned to eliminate duplicates O: 8 7.253 1.688 0.250 0.617 0.857 0.714 C 1.356 7 residues pruned to eliminate duplicates P: 9 2.665 1.380 0.367 0.177 0.750 0.250 C 0.983 Q: 13 7.704 1.620 0.667 0.354 0.917 0.583 CB 1.051 15 residues pruned to eliminate duplicates R: 12 6.827 1.695 0.569 0.426 0.727 0.727 CB 1.149 12 residues pruned to eliminate duplicates S: 23 13.582 1.758 0.785 0.406 0.909 0.500 CB 1.120 17 residues pruned to eliminate duplicates T: 9 11.771 1.804 1.052 0.488 1.000 0.625 CB 1.138 U: 25 18.119 1.641 1.054 0.563 0.917 0.667 CB 1.126 12 residues pruned to eliminate duplicates V: 32 16.080 1.792 0.719 0.477 0.935 0.548 CB 1.026 26 residues pruned to eliminate duplicates W: 14 12.053 1.962 0.569 0.484 0.846 0.462 CB 1.305 9 residues pruned to eliminate duplicates X: 12 5.640 1.605 0.571 0.372 0.909 0.455 CB 0.851 Y: 8 11.987 1.695 0.629 0.908 1.000 0.857 CB 1.166 Z: 16 10.853 1.710 0.629 0.385 0.933 0.600 CB 1.219 Z: 25 15.813 1.809 0.725 0.493 1.000 0.583 CB 1.042 25 residues pruned to eliminate duplicates Z: 17 8.389 1.740 0.360 0.418 0.875 0.500 CB 1.103 17 residues pruned to eliminate duplicates Z: 15 7.607 1.750 0.217 0.639 0.714 0.357 CB 1.174 Z: 7 6.784 1.711 0.659 0.543 0.833 0.333 CB 1.122 Z: 13 8.298 1.766 0.663 0.290 0.833 0.500 CB 1.239 13 residues pruned to eliminate duplicates Z: 6 3.578 1.579 0.787 0.456 1.000 0.400 CB 0.593 4 residues pruned to eliminate duplicates Z: 11 7.482 1.784 0.505 0.495 0.800 0.700 CB 1.107 11 residues pruned to eliminate duplicates Z: 16 15.306 1.983 0.568 0.587 0.933 0.600 CB 1.253 16 residues pruned to eliminate duplicates Z: 24 13.221 1.790 0.871 0.462 0.739 0.696 CB 1.158 19 residues pruned to eliminate duplicates Z: 6 4.578 1.743 0.360 0.474 1.000 0.600 CA 0.887 Z: 14 10.342 1.765 0.425 0.496 0.923 0.615 CA 1.241 14 residues pruned to eliminate duplicates Z: 6 3.758 1.526 0.565 0.566 0.600 0.600 N 1.100 6 residues pruned to eliminate duplicates Z: 11 9.155 1.833 0.757 0.452 0.800 0.600 CB 1.181 23 residues pruned to eliminate duplicates Z: 13 12.277 1.646 0.716 0.738 1.000 1.000 CB 1.014 Z: 6 9.083 1.808 0.325 0.741 1.000 0.800 CB 1.366 Z: 14 14.986 1.907 0.935 0.467 0.923 0.615 CB 1.262 16 residues pruned to eliminate duplicates Z: 7 6.309 1.945 0.491 0.558 0.833 0.667 CB 1.007 7 residues pruned to eliminate duplicates Z: 17 12.662 1.830 0.880 0.502 0.812 0.562 CB 1.130 19 residues pruned to eliminate duplicates Z: 22 15.342 1.806 0.703 0.516 0.857 0.476 CB 1.249 22 residues pruned to eliminate duplicates Z: 18 8.333 1.682 0.701 0.412 0.765 0.588 CA 1.013 8 residues pruned to eliminate duplicates Z: 13 9.196 1.805 0.371 0.492 0.917 0.500 CB 1.179 13 residues pruned to eliminate duplicates Z: 19 10.130 1.813 0.398 0.488 0.778 0.611 CB 1.227 19 residues pruned to eliminate duplicates Z: 15 6.717 1.512 0.295 0.521 0.929 0.500 CB 0.967 15 residues pruned to eliminate duplicates Z: 45 19.245 1.778 0.903 0.503 0.864 0.636 CB 0.989 45 residues pruned to eliminate duplicates Z: 35 18.004 1.770 0.792 0.492 0.824 0.706 CB 1.191 35 residues pruned to eliminate duplicates Z: 38 20.256 1.814 0.888 0.499 0.919 0.595 CB 1.059 38 residues pruned to eliminate duplicates Z: 25 21.889 1.886 0.879 0.570 0.875 0.667 CB 1.347 25 residues pruned to eliminate duplicates Z: 14 13.620 1.938 0.488 0.625 0.923 0.769 CB 1.261 14 residues pruned to eliminate duplicates Z: 26 19.217 1.819 0.780 0.627 0.840 0.720 CB 1.254 27 residues pruned to eliminate duplicates Z: 17 8.219 1.702 0.357 0.473 0.812 0.500 CB 1.125 17 residues pruned to eliminate duplicates Z: 7 9.294 1.543 1.210 0.568 0.833 0.667 C 1.251 Z: 9 9.937 1.786 0.720 0.570 0.750 0.625 C 1.425 6 residues pruned to eliminate duplicates Z: 15 10.929 1.579 0.568 0.610 0.929 0.643 CB 1.145 15 residues pruned to eliminate duplicates Z: 12 7.060 1.483 0.927 0.413 0.818 0.636 CB 0.997 Z: 22 22.146 1.870 0.974 0.657 0.952 0.762 CB 1.188 22 residues pruned to eliminate duplicates Z: 6 5.470 1.818 0.112 0.847 1.000 0.800 CB 0.898 Z: 11 8.193 1.410 1.097 0.424 0.800 0.600 C 1.185 Z: 11 6.888 1.558 0.566 0.413 1.000 0.500 CB 0.978 11 residues pruned to eliminate duplicates Z: 23 19.828 1.904 0.672 0.563 0.864 0.636 CB 1.445 23 residues pruned to eliminate duplicates Z: 10 3.364 1.574 0.356 0.330 0.667 0.444 CB 0.950 10 residues pruned to eliminate duplicates Z: 8 4.388 1.603 0.127 0.526 1.000 0.571 CB 0.895 Z: 19 18.513 1.817 0.754 0.655 0.944 0.833 CB 1.255 Z: 11 6.309 1.555 0.699 0.554 0.800 0.600 CB 0.895 9 residues pruned to eliminate duplicates Z: 9 9.910 1.737 0.825 0.893 1.000 0.750 CB 0.794 6 residues pruned to eliminate duplicates Z: 18 10.793 1.702 0.725 0.409 0.824 0.529 CB 1.191 17 residues pruned to eliminate duplicates Z: 10 7.148 1.445 0.827 0.609 0.889 0.667 CB 0.915 Z: 11 4.646 1.472 0.369 0.437 0.800 0.700 CB 0.973 Z: 18 16.876 1.922 0.795 0.614 0.941 0.647 CB 1.131 18 residues pruned to eliminate duplicates Z: 28 16.205 1.774 0.737 0.549 0.889 0.630 CB 1.085 28 residues pruned to eliminate duplicates Z: 10 6.128 1.643 0.251 0.491 0.889 0.889 CB 1.128 10 residues pruned to eliminate duplicates Z: 11 10.726 1.693 0.883 0.550 0.900 0.600 CB 1.125 11 residues pruned to eliminate duplicates Z: 6 4.166 1.637 0.823 0.286 0.600 0.600 CB 1.325 6 residues pruned to eliminate duplicates Z: 32 17.001 1.861 0.713 0.513 0.935 0.613 CB 1.011 32 residues pruned to eliminate duplicates Z: 31 18.134 1.828 0.540 0.528 0.967 0.600 CB 1.184 25 residues pruned to eliminate duplicates Z: 6 5.044 1.510 0.572 0.490 0.800 0.800 CB 1.200 Z: 15 8.631 1.753 0.596 0.446 0.929 0.500 CB 0.938 15 residues pruned to eliminate duplicates Z: 11 11.095 1.799 0.621 0.485 0.900 0.700 C 1.357 11 residues pruned to eliminate duplicates Z: 10 4.561 1.600 0.284 0.824 0.778 0.667 CB 0.719 9 residues pruned to eliminate duplicates Z: 12 10.942 1.850 0.699 0.558 0.909 0.727 CB 1.091 12 residues pruned to eliminate duplicates Z: 9 5.533 1.791 0.338 0.478 0.625 0.250 CB 1.336 9 residues pruned to eliminate duplicates Z: 6 5.796 1.568 0.648 0.541 1.000 0.400 CA 0.964 6 residues pruned to eliminate duplicates Z: 12 12.739 1.792 0.921 0.688 0.818 0.727 CB 1.148 10 residues pruned to eliminate duplicates Z: 8 3.133 1.561 -0.202 0.398 0.857 0.429 CB 1.235 8 residues pruned to eliminate duplicates Z: 6 5.319 1.826 0.230 0.853 1.000 1.000 CB 0.783 6 residues pruned to eliminate duplicates Z: 9 7.455 1.733 0.677 0.833 0.750 0.500 CB 0.907 9 residues pruned to eliminate duplicates Z: 7 2.064 1.586 0.011 0.304 0.833 0.667 CB 0.784 7 residues pruned to eliminate duplicates Z: 8 5.377 1.469 0.938 0.366 0.857 0.714 N 0.961 8 residues pruned to eliminate duplicates Z: 12 12.339 1.768 0.445 0.631 0.909 0.636 CB 1.416 12 residues pruned to eliminate duplicates Z: 13 12.735 1.791 0.958 0.528 0.750 0.417 CB 1.360 13 residues pruned to eliminate duplicates Z: 9 4.371 1.301 0.512 0.632 0.750 0.625 CA 0.925 Z: 6 5.768 1.617 0.118 0.808 1.000 0.800 C 1.090 6 residues pruned to eliminate duplicates Z: 16 8.653 1.669 0.772 0.477 0.733 0.467 CB 1.054 6 residues pruned to eliminate duplicates Z: 10 8.517 1.680 0.587 0.570 1.000 0.556 CB 0.995 10 residues pruned to eliminate duplicates Z: 6 10.685 1.673 1.193 0.645 1.000 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 12 9.907 1.805 0.531 0.534 0.909 0.545 CB 1.150 12 residues pruned to eliminate duplicates Z: 8 7.122 1.358 0.434 0.754 1.000 1.000 CA 1.102 8 residues pruned to eliminate duplicates Z: 38 20.366 1.829 0.851 0.488 0.865 0.622 CB 1.158 38 residues pruned to eliminate duplicates Z: 32 21.684 1.828 0.813 0.554 0.903 0.645 CB 1.234 31 residues pruned to eliminate duplicates Z: 29 19.905 1.804 1.033 0.545 0.929 0.607 CB 1.057 29 residues pruned to eliminate duplicates Z: 13 7.740 1.480 0.788 0.498 0.917 0.833 CB 0.923 11 residues pruned to eliminate duplicates Z: 8 6.195 1.409 0.448 0.665 0.857 0.714 N 1.149 8 residues pruned to eliminate duplicates Z: 11 6.540 1.762 0.563 0.436 0.800 0.500 CB 1.003 11 residues pruned to eliminate duplicates Z: 8 10.513 1.754 0.342 0.869 1.000 0.857 CB 1.233 9 residues pruned to eliminate duplicates Z: 10 7.278 1.673 0.208 0.510 0.889 0.667 CA 1.336 10 residues pruned to eliminate duplicates Z: 6 11.125 1.653 0.652 0.807 1.000 1.000 C 1.395 6 residues pruned to eliminate duplicates Z: 13 10.272 1.562 0.643 0.667 1.000 0.750 CB 0.990 13 residues pruned to eliminate duplicates Z: 6 3.203 1.384 0.556 0.530 1.000 0.800 CB 0.646 4 residues pruned to eliminate duplicates Z: 7 6.080 1.590 0.207 0.663 0.833 0.667 CB 1.335 8 residues pruned to eliminate duplicates Z: 14 12.779 1.795 1.065 0.429 0.846 0.462 CB 1.215 14 residues pruned to eliminate duplicates Z: 23 7.524 1.685 0.763 0.289 0.818 0.364 CB 0.837 23 residues pruned to eliminate duplicates Z: 11 10.636 1.786 0.626 0.498 0.800 0.700 C 1.451 11 residues pruned to eliminate duplicates Z: 8 4.132 1.519 0.141 0.428 1.000 0.429 CB 0.971 8 residues pruned to eliminate duplicates Z: 12 9.529 1.699 0.728 0.441 0.818 0.545 CB 1.271 12 residues pruned to eliminate duplicates Z: 7 3.087 1.548 0.459 0.258 0.833 0.667 CB 0.883 7 residues pruned to eliminate duplicates Z: 14 8.583 1.848 0.772 0.418 0.769 0.462 CB 1.029 14 residues pruned to eliminate duplicates Z: 7 7.066 1.820 0.575 0.389 1.000 0.667 CA 1.132 7 residues pruned to eliminate duplicates 6 1.825 1.733 -0.101 0.336 0.800 0.600 CA 0.783 ? Z: 10 9.928 1.636 0.825 0.584 0.778 0.556 C 1.315 10 residues pruned to eliminate duplicates Z: 17 15.768 1.597 0.885 0.708 1.000 0.688 CB 1.085 17 residues pruned to eliminate duplicates Z: 6 4.020 1.686 0.450 0.496 0.600 0.600 CA 1.231 6 residues pruned to eliminate duplicates Z: 28 18.909 1.827 0.982 0.587 0.926 0.630 CB 0.999 28 residues pruned to eliminate duplicates Z: 19 10.943 1.775 0.555 0.486 0.833 0.611 CA 1.137 19 residues pruned to eliminate duplicates Z: 33 12.394 1.678 0.669 0.431 0.812 0.375 CB 1.034 31 residues pruned to eliminate duplicates Z: 7 6.623 1.742 0.342 0.748 1.000 0.667 CB 0.927 7 residues pruned to eliminate duplicates Z: 16 10.153 1.790 0.518 0.401 0.867 0.533 CB 1.236 16 residues pruned to eliminate duplicates Z: 14 10.688 1.600 0.735 0.652 0.769 0.692 C 1.205 14 residues pruned to eliminate duplicates Z: 6 7.986 1.799 1.095 0.794 1.000 1.000 CB 0.732 Z: 8 3.242 1.517 0.103 0.413 0.857 0.571 CB 0.937 Z: 11 9.843 1.729 0.404 0.522 0.900 0.700 CA 1.395 11 residues pruned to eliminate duplicates Z: 8 6.756 1.688 0.405 0.680 1.000 0.857 CB 0.912 8 residues pruned to eliminate duplicates Z: 26 22.517 1.879 1.115 0.592 0.920 0.640 CB 1.128 26 residues pruned to eliminate duplicates Z: 21 11.622 1.766 0.618 0.454 0.850 0.700 CB 1.121 21 residues pruned to eliminate duplicates Z: 26 13.690 1.763 0.654 0.495 0.920 0.600 CB 1.026 26 residues pruned to eliminate duplicates Z: 6 3.729 1.368 0.949 0.446 0.600 0.600 CA 1.102 4 residues pruned to eliminate duplicates Z: 8 4.633 1.692 0.766 0.233 0.714 0.429 CA 1.119 8 residues pruned to eliminate duplicates Z: 12 5.533 1.574 0.256 0.472 0.909 0.545 CA 0.956 12 residues pruned to eliminate duplicates Z: 16 9.828 1.751 0.514 0.450 0.867 0.600 CB 1.163 16 residues pruned to eliminate duplicates Z: 35 17.138 1.804 0.796 0.551 0.853 0.676 CB 1.012 35 residues pruned to eliminate duplicates Z: 18 5.593 1.556 0.306 0.313 0.706 0.471 CA 1.163 18 residues pruned to eliminate duplicates Z: 7 10.723 1.649 0.791 0.838 1.000 0.500 CB 1.108 7 residues pruned to eliminate duplicates Z: 11 6.966 1.398 0.553 0.460 1.000 0.600 CB 1.056 Z: 20 6.971 1.587 0.391 0.359 0.947 0.526 CB 0.890 17 residues pruned to eliminate duplicates Z: 6 3.662 1.613 0.280 0.297 0.800 0.400 CA 1.245 10 residues pruned to eliminate duplicates 6 1.309 1.181 0.225 0.411 0.600 0.600 CB 0.741 ? Z: 20 11.502 1.854 0.421 0.475 0.895 0.526 CB 1.148 20 residues pruned to eliminate duplicates Z: 11 5.536 1.631 0.907 0.361 0.700 0.400 CB 0.935 Z: 8 11.731 1.841 0.499 0.628 1.000 1.000 CB 1.424 8 residues pruned to eliminate duplicates Z: 18 11.072 1.767 0.486 0.456 0.882 0.412 CB 1.213 18 residues pruned to eliminate duplicates Z: 9 7.887 1.862 0.753 0.473 0.750 0.625 CB 1.171 9 residues pruned to eliminate duplicates Z: 9 6.555 1.802 0.295 0.437 0.750 0.500 CA 1.414 9 residues pruned to eliminate duplicates Z: 45 21.051 1.867 0.659 0.435 0.909 0.568 CB 1.205 45 residues pruned to eliminate duplicates Z: 6 6.146 1.744 0.735 0.609 0.800 0.600 CB 1.023 6 residues pruned to eliminate duplicates Z: 12 6.627 1.566 0.672 0.219 0.909 0.364 CA 1.168 Z: 7 5.628 1.684 0.679 0.619 0.833 0.833 CB 0.872 Z: 9 6.190 1.810 0.507 0.413 0.875 0.500 CB 1.004 9 residues pruned to eliminate duplicates Z: 22 18.435 1.817 0.910 0.618 0.857 0.810 CB 1.209 22 residues pruned to eliminate duplicates Z: 9 6.460 1.365 0.639 0.712 0.875 0.750 CB 0.962 9 residues pruned to eliminate duplicates Z: 14 10.090 1.681 0.622 0.431 0.923 0.615 CB 1.194 14 residues pruned to eliminate duplicates 6 1.844 1.115 0.335 0.312 0.800 0.400 CB 0.853 ? Z: 42 24.022 1.801 0.735 0.556 0.927 0.610 CB 1.226 42 residues pruned to eliminate duplicates Z: 12 5.269 1.303 0.467 0.623 1.000 0.636 CB 0.740 9 residues pruned to eliminate duplicates Z: 8 4.577 1.582 0.255 0.220 1.000 0.286 CB 1.211 6 residues pruned to eliminate duplicates Z: 17 12.209 1.776 0.781 0.506 0.875 0.750 CB 1.096 17 residues pruned to eliminate duplicates Z: 8 3.749 1.369 0.150 0.398 0.857 0.714 CA 1.170 8 residues pruned to eliminate duplicates Z: 8 9.306 1.682 0.313 0.857 1.000 0.714 CA 1.173 8 residues pruned to eliminate duplicates 6 1.498 1.413 0.566 0.606 1.000 1.000 CB 0.274 ? Z: 6 5.342 1.582 0.444 0.455 1.000 0.800 CA 1.095 Z: 9 5.423 1.721 0.159 0.515 0.875 0.375 CA 1.082 9 residues pruned to eliminate duplicates Z: 12 10.309 1.750 0.645 0.434 0.909 0.273 C 1.272 12 residues pruned to eliminate duplicates Z: 11 10.300 1.823 0.685 0.402 0.900 0.600 CA 1.306 11 residues pruned to eliminate duplicates Z: 35 13.928 1.753 0.361 0.501 0.941 0.559 CB 1.062 35 residues pruned to eliminate duplicates Z: 7 6.103 1.583 0.329 0.678 0.833 0.833 C 1.207 7 residues pruned to eliminate duplicates Z: 7 6.587 1.775 0.099 0.817 1.000 1.000 CA 1.046 Z: 8 11.142 1.603 0.686 0.693 1.000 0.714 CB 1.306 8 residues pruned to eliminate duplicates Z: 8 5.666 1.770 0.156 0.842 1.000 0.714 CB 0.780 8 residues pruned to eliminate duplicates Z: 11 6.436 1.684 0.707 0.486 0.900 0.500 CB 0.798 11 residues pruned to eliminate duplicates Z: 11 4.406 1.571 0.008 0.307 0.900 0.800 CB 1.212 11 residues pruned to eliminate duplicates Z: 9 6.365 1.701 1.149 0.536 0.625 0.500 CB 0.951 13 residues pruned to eliminate duplicates Z: 41 23.737 1.870 0.833 0.557 0.875 0.625 CB 1.183 41 residues pruned to eliminate duplicates Z: 7 3.841 1.544 0.643 0.304 0.833 0.667 CA 0.923 8 residues pruned to eliminate duplicates Z: 6 3.468 1.454 0.646 0.649 0.800 0.800 CB 0.705 Z: 15 5.496 1.521 0.288 0.414 0.786 0.357 CB 1.043 15 residues pruned to eliminate duplicates Z: 32 19.054 1.854 0.602 0.542 0.903 0.548 CB 1.224 31 residues pruned to eliminate duplicates Z: 7 3.553 1.425 0.166 0.403 0.833 0.667 N 1.159 7 residues pruned to eliminate duplicates Z: 17 10.000 1.706 0.552 0.441 0.938 0.625 CB 1.070 14 residues pruned to eliminate duplicates Z: 17 14.414 1.709 0.547 0.641 0.938 0.688 CA 1.274 16 residues pruned to eliminate duplicates Z: 7 4.639 1.598 0.390 0.360 1.000 0.667 CB 0.991 7 residues pruned to eliminate duplicates Z: 9 12.282 1.692 0.599 0.850 1.000 0.625 CB 1.188 8 residues pruned to eliminate duplicates Z: 10 6.019 1.545 0.453 0.427 1.000 0.778 CA 0.964 10 residues pruned to eliminate duplicates Z: 6 4.938 1.703 0.386 0.550 0.800 0.600 C 1.114 6 residues pruned to eliminate duplicates Z: 6 2.133 1.558 0.510 0.318 1.000 0.400 CB 0.496 6 residues pruned to eliminate duplicates Z: 10 9.471 1.656 0.428 0.620 0.889 0.778 CA 1.341 10 residues pruned to eliminate duplicates Z: 15 6.560 1.456 0.552 0.322 0.929 0.500 CB 1.017 15 residues pruned to eliminate duplicates Z: 20 11.153 1.754 0.418 0.574 0.895 0.684 CB 1.071 20 residues pruned to eliminate duplicates Z: 8 7.327 1.881 0.368 0.625 1.000 0.571 CB 0.956 8 residues pruned to eliminate duplicates Z: 15 8.351 1.724 0.546 0.533 0.857 0.643 CA 0.946 11 residues pruned to eliminate duplicates Z: 6 4.293 1.422 0.440 0.653 1.000 1.000 CB 0.813 6 residues pruned to eliminate duplicates Z: 6 3.097 1.251 0.236 0.491 1.000 0.800 CB 0.905 Z: 9 5.492 1.395 0.836 0.294 0.875 0.625 N 1.092 9 residues pruned to eliminate duplicates Z: 10 3.177 1.387 0.172 0.400 0.889 0.333 CB 0.815 10 residues pruned to eliminate duplicates Z: 8 3.947 1.635 0.709 0.387 0.857 0.714 CB 0.702 6 residues pruned to eliminate duplicates Z: 11 14.073 1.770 0.977 0.574 1.000 0.600 CB 1.184 11 residues pruned to eliminate duplicates Z: 12 4.787 1.170 0.640 0.520 0.818 0.636 N 0.901 Z: 6 4.099 1.327 0.515 0.605 1.000 0.800 CA 0.826 6 residues pruned to eliminate duplicates Z: 20 14.463 1.878 0.733 0.561 0.895 0.632 CB 1.074 27 residues pruned to eliminate duplicates Z: 7 4.195 1.486 0.540 0.493 0.833 0.333 CA 0.904 7 residues pruned to eliminate duplicates Z: 11 8.614 1.660 0.489 0.518 1.000 0.700 CA 1.083 11 residues pruned to eliminate duplicates Z: 7 7.886 1.788 0.134 0.645 1.000 0.500 CB 1.387 7 residues pruned to eliminate duplicates Z: 9 4.757 1.481 0.458 0.664 0.875 0.750 CB 0.765 9 residues pruned to eliminate duplicates 6 1.585 1.216 0.533 0.287 0.800 0.400 CA 0.603 ? Z: 12 9.848 1.829 1.022 0.482 0.909 0.364 CB 0.899 12 residues pruned to eliminate duplicates Z: 8 2.702 1.427 0.028 0.355 0.857 0.429 CB 0.950 Z: 6 4.337 1.331 0.395 0.742 1.000 0.800 CB 0.841 Z: 7 2.862 1.510 0.670 0.553 0.667 0.667 CB 0.660 Z: 6 9.083 1.551 0.543 0.832 1.000 1.000 CB 1.274 6 residues pruned to eliminate duplicates Z: 11 4.805 1.325 0.457 0.448 0.800 0.600 CB 1.037 10 residues pruned to eliminate duplicates Z: 8 3.094 1.410 0.214 0.393 0.714 0.429 C 1.071 Z: 7 2.616 1.279 0.543 0.329 0.833 0.333 N 0.784 Z: 6 3.486 1.770 -0.041 0.696 1.000 0.800 CB 0.767 Z: 24 8.988 1.601 0.545 0.352 0.826 0.348 CA 1.077 20 residues pruned to eliminate duplicates Z: 8 5.769 1.473 0.822 0.418 0.857 0.286 CB 1.032 Z: 8 3.272 1.495 0.308 0.284 1.000 0.429 CB 0.806 Z: 19 6.426 1.508 0.475 0.487 0.944 0.444 CB 0.730 18 residues pruned to eliminate duplicates Z: 16 14.562 1.739 0.579 0.594 0.867 0.667 CB 1.444 16 residues pruned to eliminate duplicates Z: 7 9.155 1.489 0.928 0.782 1.000 0.833 CA 1.016 9 residues pruned to eliminate duplicates Z: 25 15.328 1.852 0.519 0.535 0.917 0.625 CB 1.173 25 residues pruned to eliminate duplicates 9 1.766 1.205 0.102 0.284 0.750 0.500 N 0.800 ? Z: 10 4.397 1.561 0.355 0.457 0.667 0.556 CB 1.086 10 residues pruned to eliminate duplicates Z: 10 10.527 1.739 0.700 0.557 0.889 0.778 CB 1.263 10 residues pruned to eliminate duplicates Z: 8 3.850 1.367 0.202 0.438 0.857 0.571 N 1.101 Z: 8 3.637 1.299 0.291 0.510 1.000 0.857 CB 0.811 8 residues pruned to eliminate duplicates Z: 11 5.878 1.400 0.556 0.652 1.000 0.800 CB 0.741 13 residues pruned to eliminate duplicates Z: 10 2.680 1.146 0.265 0.380 0.778 0.778 CB 0.900 10 residues pruned to eliminate duplicates Z: 11 3.799 1.680 0.259 0.364 0.700 0.500 CB 0.939 11 residues pruned to eliminate duplicates Z: 16 12.598 1.729 0.953 0.539 0.933 0.733 CB 0.993 12 residues pruned to eliminate duplicates Z: 6 3.150 1.334 0.475 0.453 0.800 0.400 CA 0.939 Z: 7 5.651 1.545 0.052 0.516 1.000 0.500 CB 1.397 7 residues pruned to eliminate duplicates 6 0.826 1.292 0.720 0.298 0.400 0.400 C 0.521 ? Z: 7 4.069 1.453 0.295 0.371 0.833 0.500 O 1.217 Z: 9 5.306 1.537 0.512 0.581 0.875 0.625 CB 0.854 8 residues pruned to eliminate duplicates Z: 15 6.907 1.453 0.485 0.439 0.929 0.643 CB 0.982 12 residues pruned to eliminate duplicates Z: 6 3.126 1.491 0.535 0.334 0.800 0.400 CA 0.915 Z: 18 12.066 1.767 0.717 0.518 0.882 0.765 CB 1.074 18 residues pruned to eliminate duplicates Z: 34 18.453 1.859 0.871 0.501 0.848 0.636 CB 1.088 41 residues pruned to eliminate duplicates Z: 9 11.050 1.614 0.840 0.785 1.000 0.375 CB 1.024 9 residues pruned to eliminate duplicates Z: 7 3.998 1.286 0.654 0.543 0.833 0.500 CA 0.883 Z: 7 5.373 1.763 0.438 0.366 0.833 0.333 CB 1.199 7 residues pruned to eliminate duplicates Z: 7 2.881 1.519 0.596 0.248 0.667 0.333 C 0.973 7 residues pruned to eliminate duplicates Z: 14 7.193 1.529 0.574 0.576 0.769 0.769 CB 1.002 14 residues pruned to eliminate duplicates Z: 6 7.542 1.707 0.520 0.885 1.000 0.800 CB 0.939 6 residues pruned to eliminate duplicates Z: 8 6.994 1.832 0.479 0.717 1.000 0.857 CB 0.801 8 residues pruned to eliminate duplicates 377 residues left after pruning, divided into chains as follows: A: 15 B: 9 C: 6 D: 16 E: 7 F: 17 G: 9 H: 63 I: 9 J: 53 K: 19 L: 6 M: 7 N: 10 O: 60 P: 26 Q: 8 R: 16 S: 7 T: 14 CC for partial structure against native data = 31.37 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.451, Connect. = 0.686 for dens.mod. cycle 1 = 0.300, Contrast = 0.529, Connect. = 0.718 for dens.mod. cycle 2 = 0.300, Contrast = 0.626, Connect. = 0.757 for dens.mod. cycle 3 = 0.300, Contrast = 0.635, Connect. = 0.762 for dens.mod. cycle 4 = 0.300, Contrast = 0.644, Connect. = 0.767 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.770 for dens.mod. cycle 6 = 0.300, Contrast = 0.653, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.655, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.656, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.657, Connect. = 0.778 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3240 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 656 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 112 56.073 2.289 0.691 0.487 0.865 0.541 CB 1.611 B: 83 41.492 2.263 0.614 0.463 0.841 0.512 CB 1.548 60 residues pruned to eliminate duplicates C: 56 43.808 2.316 0.635 0.453 0.964 0.509 CB 1.699 40 residues pruned to eliminate duplicates D: 88 51.172 2.243 0.720 0.492 0.920 0.609 CB 1.559 77 residues pruned to eliminate duplicates E: 57 42.638 2.301 0.936 0.494 0.875 0.696 CB 1.471 F: 14 23.803 2.300 0.836 0.507 0.923 0.692 CB 1.682 14 residues pruned to eliminate duplicates G: 58 42.729 2.258 0.788 0.506 0.912 0.614 CB 1.528 51 residues pruned to eliminate duplicates H: 19 17.685 2.000 0.856 0.418 0.889 0.500 CB 1.376 I: 57 40.269 2.356 0.753 0.538 0.804 0.607 CB 1.562 57 residues pruned to eliminate duplicates J: 53 42.430 2.317 0.982 0.490 0.885 0.692 CB 1.463 53 residues pruned to eliminate duplicates K: 62 39.301 2.248 0.562 0.487 0.902 0.607 CB 1.610 62 residues pruned to eliminate duplicates L: 28 47.317 2.437 1.030 0.635 0.926 0.704 CB 1.752 28 residues pruned to eliminate duplicates M: 8 16.536 2.355 0.651 0.590 0.857 0.429 CA 1.721 N: 15 20.157 2.193 0.717 0.478 1.000 0.643 CB 1.463 16 residues pruned to eliminate duplicates O: 62 39.965 2.246 0.562 0.488 0.934 0.574 CB 1.580 62 residues pruned to eliminate duplicates P: 65 49.013 2.303 0.844 0.511 0.859 0.500 CB 1.660 65 residues pruned to eliminate duplicates Q: 44 43.504 2.332 0.821 0.542 0.907 0.581 CB 1.653 44 residues pruned to eliminate duplicates R: 67 45.567 2.319 0.723 0.492 0.924 0.561 CB 1.532 75 residues pruned to eliminate duplicates S: 7 15.672 2.317 0.871 0.632 0.833 0.500 CA 1.566 7 residues pruned to eliminate duplicates T: 58 33.292 2.243 0.533 0.421 0.877 0.561 CB 1.588 58 residues pruned to eliminate duplicates U: 18 19.885 2.216 0.929 0.565 0.824 0.647 CB 1.287 V: 24 14.676 2.202 0.483 0.431 0.826 0.652 CB 1.219 16 residues pruned to eliminate duplicates W: 41 38.333 2.303 0.640 0.500 0.950 0.650 CB 1.690 41 residues pruned to eliminate duplicates X: 75 40.262 2.260 0.615 0.448 0.865 0.486 CB 1.565 75 residues pruned to eliminate duplicates Y: 17 12.938 2.312 0.524 0.358 0.812 0.500 CB 1.317 19 residues pruned to eliminate duplicates Z: 64 45.046 2.249 0.722 0.481 0.889 0.571 CB 1.681 64 residues pruned to eliminate duplicates Z: 87 47.630 2.248 0.661 0.493 0.919 0.581 CB 1.507 87 residues pruned to eliminate duplicates Z: 67 51.922 2.263 0.918 0.582 0.894 0.621 CB 1.522 67 residues pruned to eliminate duplicates Z: 8 10.010 1.777 0.800 0.566 0.857 0.429 C 1.294 Z: 13 17.017 2.074 0.905 0.693 0.833 0.750 CB 1.251 Z: 23 23.662 2.068 1.274 0.462 0.818 0.500 CB 1.363 23 residues pruned to eliminate duplicates Z: 37 36.082 2.326 0.709 0.532 0.861 0.667 CB 1.703 37 residues pruned to eliminate duplicates Z: 59 44.288 2.285 0.726 0.527 0.862 0.552 CB 1.666 59 residues pruned to eliminate duplicates Z: 11 5.023 2.085 0.680 0.285 0.500 0.500 CB 1.155 11 residues pruned to eliminate duplicates Z: 28 27.605 2.236 0.851 0.575 0.778 0.593 CB 1.535 28 residues pruned to eliminate duplicates Z: 72 42.728 2.307 0.709 0.463 0.845 0.479 CB 1.581 72 residues pruned to eliminate duplicates Z: 14 22.007 2.254 0.710 0.502 0.923 0.615 CB 1.712 14 residues pruned to eliminate duplicates Z: 20 23.288 2.108 1.123 0.494 0.842 0.579 CB 1.426 20 residues pruned to eliminate duplicates Z: 50 36.728 2.313 0.689 0.508 0.918 0.633 CB 1.451 50 residues pruned to eliminate duplicates Z: 61 42.798 2.288 0.578 0.482 0.950 0.533 CB 1.640 61 residues pruned to eliminate duplicates Z: 61 48.082 2.336 0.839 0.501 0.850 0.600 CB 1.699 61 residues pruned to eliminate duplicates Z: 23 23.595 2.024 0.993 0.469 0.955 0.455 CB 1.348 23 residues pruned to eliminate duplicates Z: 48 39.817 2.322 0.782 0.513 0.894 0.617 CB 1.550 57 residues pruned to eliminate duplicates Z: 13 16.646 2.161 0.584 0.578 1.000 0.500 CB 1.302 Z: 40 38.012 2.342 0.637 0.478 0.949 0.615 CB 1.710 40 residues pruned to eliminate duplicates Z: 61 40.327 2.248 0.650 0.501 0.883 0.600 CB 1.588 61 residues pruned to eliminate duplicates Z: 80 41.041 2.277 0.629 0.457 0.823 0.544 CB 1.582 80 residues pruned to eliminate duplicates Z: 42 48.220 2.335 1.020 0.537 0.951 0.561 CB 1.619 40 residues pruned to eliminate duplicates Z: 56 34.132 2.229 0.562 0.444 0.927 0.509 CB 1.509 56 residues pruned to eliminate duplicates Z: 38 40.625 2.280 1.103 0.571 0.865 0.703 CB 1.505 38 residues pruned to eliminate duplicates Z: 8 13.409 2.213 0.616 0.488 1.000 0.429 CB 1.434 6 residues pruned to eliminate duplicates Z: 64 46.097 2.346 0.763 0.509 0.873 0.587 CB 1.593 64 residues pruned to eliminate duplicates Z: 12 15.048 1.847 0.846 0.587 0.818 0.818 CB 1.496 Z: 40 46.176 2.374 0.966 0.559 0.949 0.641 CB 1.576 40 residues pruned to eliminate duplicates Z: 45 30.817 2.263 0.682 0.498 0.818 0.614 CB 1.494 45 residues pruned to eliminate duplicates Z: 9 14.594 1.873 1.494 0.533 0.750 0.750 CB 1.425 6 residues pruned to eliminate duplicates Z: 18 17.864 2.185 0.677 0.455 0.882 0.647 CB 1.403 13 residues pruned to eliminate duplicates Z: 48 41.739 2.349 0.851 0.505 0.872 0.638 CB 1.598 50 residues pruned to eliminate duplicates Z: 44 41.729 2.348 0.952 0.518 0.837 0.605 CB 1.629 44 residues pruned to eliminate duplicates Z: 70 47.373 2.340 0.775 0.491 0.884 0.507 CB 1.568 70 residues pruned to eliminate duplicates Z: 81 42.194 2.283 0.698 0.477 0.838 0.562 CB 1.486 81 residues pruned to eliminate duplicates Z: 9 14.440 2.247 0.688 0.538 0.750 0.625 CB 1.729 9 residues pruned to eliminate duplicates Z: 8 7.334 2.016 0.630 0.595 0.714 0.571 CB 1.078 Z: 110 65.499 2.333 0.753 0.513 0.908 0.615 CB 1.667 110 residues pruned to eliminate duplicates Z: 6 6.776 1.664 1.024 0.482 0.800 0.600 CA 1.146 5 residues pruned to eliminate duplicates Z: 11 19.073 2.172 1.112 0.472 0.900 0.500 CB 1.503 11 residues pruned to eliminate duplicates Z: 58 44.893 2.277 0.686 0.487 0.965 0.544 CB 1.626 58 residues pruned to eliminate duplicates Z: 48 43.404 2.329 0.850 0.539 0.872 0.617 CB 1.621 48 residues pruned to eliminate duplicates Z: 8 11.833 1.857 0.614 0.734 0.857 0.857 CB 1.411 Z: 43 31.048 2.183 0.689 0.467 0.857 0.476 CB 1.567 55 residues pruned to eliminate duplicates Z: 16 7.023 1.679 0.554 0.315 0.733 0.400 CB 1.163 Z: 46 46.421 2.379 0.895 0.518 0.911 0.600 CB 1.655 46 residues pruned to eliminate duplicates Z: 75 47.990 2.328 0.840 0.506 0.838 0.595 CB 1.546 76 residues pruned to eliminate duplicates Z: 19 12.371 1.991 0.376 0.436 0.889 0.611 CB 1.279 19 residues pruned to eliminate duplicates Z: 21 19.412 2.126 0.684 0.449 0.900 0.450 CB 1.420 21 residues pruned to eliminate duplicates Z: 61 43.039 2.285 0.618 0.511 0.917 0.633 CB 1.621 61 residues pruned to eliminate duplicates Z: 34 29.642 2.303 0.452 0.434 0.970 0.606 CB 1.703 34 residues pruned to eliminate duplicates Z: 8 7.347 1.851 0.146 0.820 0.857 0.714 CB 1.157 Z: 47 26.269 2.199 0.589 0.414 0.826 0.543 CB 1.467 47 residues pruned to eliminate duplicates Z: 7 8.158 1.832 0.347 0.752 0.833 0.667 CB 1.294 7 residues pruned to eliminate duplicates Z: 21 11.613 1.741 0.677 0.422 0.850 0.550 CB 1.134 8 residues pruned to eliminate duplicates Z: 17 24.895 1.959 0.809 0.684 0.938 0.875 CA 1.583 Z: 17 29.527 2.302 0.926 0.648 0.875 0.688 CB 1.658 17 residues pruned to eliminate duplicates Z: 25 36.340 2.332 0.932 0.616 0.875 0.708 CB 1.685 25 residues pruned to eliminate duplicates Z: 12 10.550 1.863 0.639 0.392 0.818 0.545 CB 1.427 12 residues pruned to eliminate duplicates Z: 24 21.099 1.941 0.901 0.502 0.957 0.696 CB 1.245 29 residues pruned to eliminate duplicates Z: 45 34.433 2.255 0.888 0.493 0.864 0.591 CB 1.421 45 residues pruned to eliminate duplicates Z: 60 38.397 2.196 0.699 0.515 0.881 0.610 CB 1.498 60 residues pruned to eliminate duplicates Z: 21 14.681 2.260 0.265 0.446 0.700 0.500 CB 1.735 21 residues pruned to eliminate duplicates Z: 56 41.244 2.296 0.716 0.481 0.909 0.582 CB 1.582 56 residues pruned to eliminate duplicates Z: 24 22.184 1.989 0.576 0.523 1.000 0.739 CB 1.443 30 residues pruned to eliminate duplicates Z: 44 26.001 1.933 0.660 0.492 0.930 0.581 CB 1.340 20 residues pruned to eliminate duplicates Z: 23 26.021 2.023 0.963 0.526 0.909 0.545 CB 1.498 23 residues pruned to eliminate duplicates Z: 11 12.583 2.056 0.254 0.793 0.900 0.600 CB 1.326 8 residues pruned to eliminate duplicates Z: 8 11.710 1.793 0.771 0.687 0.857 0.714 CB 1.369 9 residues pruned to eliminate duplicates Z: 31 16.891 1.895 0.438 0.491 0.867 0.600 CB 1.318 26 residues pruned to eliminate duplicates Z: 64 43.387 2.345 0.780 0.488 0.825 0.571 CB 1.606 64 residues pruned to eliminate duplicates Z: 27 26.160 2.100 0.758 0.502 0.923 0.500 CB 1.502 26 residues pruned to eliminate duplicates Z: 51 50.083 2.405 0.853 0.549 0.900 0.600 CB 1.683 51 residues pruned to eliminate duplicates Z: 19 13.493 2.025 0.331 0.513 0.889 0.667 CA 1.310 19 residues pruned to eliminate duplicates Z: 7 11.970 1.957 0.310 0.776 1.000 0.833 CB 1.494 7 residues pruned to eliminate duplicates Z: 22 19.760 2.014 0.713 0.438 0.952 0.524 CB 1.398 22 residues pruned to eliminate duplicates Z: 11 16.586 2.083 0.420 0.824 1.000 0.800 CB 1.340 11 residues pruned to eliminate duplicates Z: 12 12.624 2.051 0.668 0.371 1.000 0.545 CB 1.278 11 residues pruned to eliminate duplicates Z: 16 23.190 2.244 1.065 0.517 1.000 0.600 CB 1.270 18 residues pruned to eliminate duplicates Z: 66 44.858 2.361 0.780 0.489 0.831 0.523 CB 1.612 66 residues pruned to eliminate duplicates Z: 7 2.293 1.593 -0.152 0.220 0.833 0.333 CB 1.155 7 residues pruned to eliminate duplicates Z: 63 38.111 2.235 0.781 0.483 0.871 0.613 CB 1.420 63 residues pruned to eliminate duplicates Z: 50 35.811 2.290 0.668 0.420 0.878 0.510 CB 1.659 50 residues pruned to eliminate duplicates Z: 19 24.158 2.128 1.115 0.596 0.944 0.833 CB 1.222 16 residues pruned to eliminate duplicates Z: 39 26.190 2.188 0.635 0.416 0.842 0.447 CB 1.539 39 residues pruned to eliminate duplicates Z: 11 12.267 1.978 0.219 0.829 1.000 0.800 CB 1.210 11 residues pruned to eliminate duplicates Z: 40 36.806 2.276 0.655 0.535 0.923 0.590 CB 1.637 40 residues pruned to eliminate duplicates Z: 23 24.258 2.160 0.704 0.523 0.909 0.545 CB 1.511 23 residues pruned to eliminate duplicates Z: 30 16.876 2.021 0.610 0.420 0.897 0.517 CB 1.168 30 residues pruned to eliminate duplicates Z: 16 25.283 1.961 0.780 0.719 0.933 0.733 CB 1.645 17 residues pruned to eliminate duplicates Z: 17 12.563 2.079 0.289 0.363 0.938 0.562 CB 1.449 17 residues pruned to eliminate duplicates Z: 8 13.252 1.904 0.667 0.691 0.857 0.714 CB 1.546 8 residues pruned to eliminate duplicates Z: 8 9.478 1.859 0.625 0.531 0.857 0.571 CB 1.341 8 residues pruned to eliminate duplicates Z: 49 36.978 2.290 0.820 0.482 0.854 0.500 CB 1.526 49 residues pruned to eliminate duplicates Z: 14 14.053 1.995 1.281 0.359 0.769 0.538 CA 1.296 14 residues pruned to eliminate duplicates Z: 20 6.943 1.723 0.294 0.457 0.789 0.632 CB 0.945 11 residues pruned to eliminate duplicates Z: 39 33.147 2.281 0.596 0.453 0.921 0.553 CB 1.683 39 residues pruned to eliminate duplicates Z: 40 27.724 2.235 0.490 0.451 0.897 0.487 CB 1.561 40 residues pruned to eliminate duplicates Z: 11 17.809 2.048 0.996 0.642 0.800 0.700 CB 1.509 11 residues pruned to eliminate duplicates Z: 9 9.113 1.929 0.638 0.426 0.750 0.750 CA 1.468 11 residues pruned to eliminate duplicates Z: 27 37.818 2.285 1.043 0.539 0.885 0.577 CB 1.728 27 residues pruned to eliminate duplicates Z: 6 7.882 2.115 -0.130 0.766 1.000 0.800 CB 1.513 6 residues pruned to eliminate duplicates Z: 13 12.538 1.936 0.929 0.565 0.750 0.667 CB 1.213 13 residues pruned to eliminate duplicates Z: 15 16.207 2.283 0.126 0.571 0.929 0.429 CB 1.695 15 residues pruned to eliminate duplicates Z: 11 13.450 1.871 0.856 0.445 0.900 0.500 CB 1.440 11 residues pruned to eliminate duplicates Z: 17 21.396 1.948 0.596 0.667 0.938 0.625 CA 1.573 17 residues pruned to eliminate duplicates Z: 73 45.458 2.349 0.659 0.501 0.889 0.556 CB 1.545 73 residues pruned to eliminate duplicates Z: 20 23.816 2.130 0.684 0.592 0.895 0.684 CB 1.559 20 residues pruned to eliminate duplicates Z: 11 16.756 2.143 0.376 0.809 1.000 0.600 CB 1.373 11 residues pruned to eliminate duplicates Z: 48 36.033 2.250 0.602 0.549 0.894 0.596 CB 1.556 48 residues pruned to eliminate duplicates Z: 81 48.632 2.307 0.856 0.505 0.838 0.575 CB 1.508 81 residues pruned to eliminate duplicates Z: 71 41.505 2.214 0.568 0.464 0.900 0.529 CB 1.647 71 residues pruned to eliminate duplicates Z: 13 9.025 1.839 0.666 0.353 0.833 0.417 CB 1.196 Z: 38 27.382 2.210 0.545 0.438 0.919 0.459 CB 1.529 38 residues pruned to eliminate duplicates Z: 13 9.130 2.174 0.393 0.344 0.750 0.417 CA 1.374 12 residues pruned to eliminate duplicates Z: 10 15.216 1.834 1.005 0.813 0.778 0.556 CB 1.351 Z: 11 8.778 1.965 0.194 0.390 0.900 0.700 CB 1.478 11 residues pruned to eliminate duplicates Z: 9 10.991 1.904 0.549 0.488 0.875 0.375 CB 1.524 9 residues pruned to eliminate duplicates 6 1.896 1.606 -0.407 0.573 0.800 0.400 CB 1.038 ? Z: 15 8.833 1.697 0.501 0.407 0.857 0.500 CB 1.193 Z: 18 14.005 2.122 0.503 0.421 0.765 0.529 CB 1.511 18 residues pruned to eliminate duplicates Z: 7 13.638 1.971 0.636 0.644 1.000 0.667 CB 1.509 8 residues pruned to eliminate duplicates Z: 78 47.377 2.254 0.684 0.503 0.909 0.623 CB 1.560 78 residues pruned to eliminate duplicates Z: 13 6.293 1.547 0.657 0.419 0.750 0.583 CB 1.028 13 residues pruned to eliminate duplicates Z: 19 19.702 2.184 0.907 0.506 0.889 0.556 CB 1.247 19 residues pruned to eliminate duplicates Z: 8 20.200 2.107 0.947 0.719 1.000 0.714 CB 1.527 8 residues pruned to eliminate duplicates Z: 12 4.513 1.607 0.207 0.413 0.727 0.455 CB 1.057 Z: 26 26.411 2.214 0.568 0.545 0.920 0.680 CB 1.582 26 residues pruned to eliminate duplicates Z: 10 15.185 1.893 0.858 0.657 0.889 0.556 CB 1.399 10 residues pruned to eliminate duplicates Z: 15 15.230 2.311 0.871 0.418 0.786 0.429 CB 1.306 9 residues pruned to eliminate duplicates Z: 54 43.972 2.341 0.831 0.515 0.887 0.585 CB 1.565 54 residues pruned to eliminate duplicates Z: 15 18.974 2.032 0.922 0.609 0.786 0.643 CB 1.490 13 residues pruned to eliminate duplicates Z: 44 24.224 2.003 0.761 0.437 0.884 0.488 CB 1.264 43 residues pruned to eliminate duplicates Z: 15 11.085 2.186 0.549 0.437 0.786 0.571 CB 1.189 15 residues pruned to eliminate duplicates Z: 29 16.676 2.083 0.482 0.398 0.750 0.571 CB 1.515 29 residues pruned to eliminate duplicates Z: 14 11.640 1.957 0.339 0.397 0.923 0.615 CB 1.488 14 residues pruned to eliminate duplicates Z: 10 17.577 1.862 0.861 0.853 0.889 0.556 CB 1.405 10 residues pruned to eliminate duplicates Z: 9 12.902 1.925 0.572 0.646 0.875 0.875 CA 1.504 9 residues pruned to eliminate duplicates Z: 12 21.774 2.193 0.914 0.592 0.909 0.727 CB 1.576 12 residues pruned to eliminate duplicates Z: 15 8.162 1.997 0.382 0.430 0.714 0.571 CB 1.190 15 residues pruned to eliminate duplicates Z: 18 11.183 2.005 0.420 0.403 0.765 0.647 CB 1.379 18 residues pruned to eliminate duplicates Z: 52 37.032 2.202 0.752 0.520 0.902 0.529 CB 1.462 52 residues pruned to eliminate duplicates Z: 61 36.929 2.242 0.515 0.474 0.900 0.583 CB 1.601 61 residues pruned to eliminate duplicates Z: 26 19.615 2.040 0.701 0.520 0.880 0.640 CB 1.260 26 residues pruned to eliminate duplicates Z: 18 22.343 1.902 0.652 0.615 1.000 0.588 CB 1.546 16 residues pruned to eliminate duplicates Z: 6 8.143 1.696 0.772 0.655 1.000 0.800 CB 1.049 6 residues pruned to eliminate duplicates Z: 10 12.905 1.767 0.685 0.616 1.000 0.889 CB 1.294 Z: 57 33.377 2.164 0.775 0.504 0.893 0.625 CB 1.295 57 residues pruned to eliminate duplicates Z: 17 11.299 1.828 0.460 0.611 0.812 0.562 CB 1.173 Z: 51 28.974 1.976 0.697 0.502 0.940 0.640 CB 1.298 52 residues pruned to eliminate duplicates Z: 39 27.243 2.149 0.585 0.431 0.868 0.579 CB 1.604 39 residues pruned to eliminate duplicates Z: 60 43.209 2.300 0.596 0.493 0.932 0.593 CB 1.656 60 residues pruned to eliminate duplicates Z: 10 12.541 1.914 0.581 0.528 0.889 0.444 CA 1.511 10 residues pruned to eliminate duplicates Z: 10 6.660 1.703 0.282 0.559 0.889 0.778 CB 1.081 10 residues pruned to eliminate duplicates Z: 10 17.939 1.890 0.814 0.896 0.889 0.778 CA 1.406 10 residues pruned to eliminate duplicates Z: 42 35.302 2.275 0.734 0.534 0.854 0.610 CB 1.584 42 residues pruned to eliminate duplicates Z: 9 20.361 1.962 0.944 0.779 1.000 0.875 CB 1.475 9 residues pruned to eliminate duplicates Z: 12 7.945 1.894 0.505 0.414 0.818 0.364 CB 1.123 12 residues pruned to eliminate duplicates Z: 62 45.795 2.236 0.745 0.480 0.951 0.623 CB 1.613 62 residues pruned to eliminate duplicates Z: 58 41.318 2.290 0.917 0.464 0.877 0.579 CB 1.474 58 residues pruned to eliminate duplicates Z: 11 12.861 2.049 0.473 0.757 0.800 0.700 CB 1.340 11 residues pruned to eliminate duplicates Z: 53 45.853 2.292 0.807 0.528 0.923 0.673 CB 1.617 53 residues pruned to eliminate duplicates Z: 47 40.543 2.336 0.948 0.490 0.848 0.587 CB 1.565 47 residues pruned to eliminate duplicates Z: 19 10.164 1.682 0.688 0.427 0.833 0.500 CB 1.092 21 residues pruned to eliminate duplicates Z: 10 20.380 1.866 0.932 0.882 1.000 0.667 CA 1.363 10 residues pruned to eliminate duplicates Z: 7 10.826 2.018 0.506 0.606 0.833 0.667 CB 1.579 7 residues pruned to eliminate duplicates Z: 33 32.165 2.313 0.560 0.463 0.969 0.531 CB 1.690 33 residues pruned to eliminate duplicates Z: 20 10.807 1.884 0.471 0.423 0.842 0.526 CB 1.150 20 residues pruned to eliminate duplicates Z: 13 8.494 1.617 0.542 0.568 0.917 0.750 CB 1.004 13 residues pruned to eliminate duplicates Z: 14 17.512 1.931 0.700 0.515 1.000 0.692 CB 1.457 12 residues pruned to eliminate duplicates Z: 40 44.585 2.378 0.920 0.564 0.872 0.641 CB 1.686 40 residues pruned to eliminate duplicates Z: 60 50.094 2.332 0.705 0.516 0.966 0.644 CB 1.672 60 residues pruned to eliminate duplicates Z: 14 16.230 1.996 0.867 0.636 0.846 0.769 CB 1.257 14 residues pruned to eliminate duplicates Z: 43 36.838 2.258 0.977 0.535 0.857 0.571 CB 1.436 43 residues pruned to eliminate duplicates Z: 10 19.897 2.178 0.587 0.801 1.000 0.889 CA 1.475 10 residues pruned to eliminate duplicates Z: 41 29.300 2.300 0.325 0.430 0.975 0.625 CB 1.677 41 residues pruned to eliminate duplicates Z: 135 59.288 2.300 0.643 0.479 0.866 0.515 CB 1.600 135 residues pruned to eliminate duplicates Z: 46 36.276 2.263 0.539 0.479 0.956 0.556 CB 1.660 46 residues pruned to eliminate duplicates Z: 6 4.571 1.720 0.023 0.639 0.800 0.600 CB 1.275 Z: 44 32.656 2.235 0.670 0.520 0.907 0.605 CB 1.442 44 residues pruned to eliminate duplicates Z: 8 5.729 1.513 0.519 0.657 0.714 0.571 CA 1.141 8 residues pruned to eliminate duplicates Z: 61 39.392 2.229 0.609 0.502 0.917 0.600 CB 1.545 61 residues pruned to eliminate duplicates Z: 8 12.214 1.851 0.892 0.707 1.000 0.857 CB 1.092 8 residues pruned to eliminate duplicates Z: 15 23.039 2.012 0.646 0.714 1.000 0.857 CB 1.532 15 residues pruned to eliminate duplicates Z: 13 9.726 1.854 0.519 0.509 0.833 0.250 CB 1.186 8 residues pruned to eliminate duplicates Z: 78 38.490 2.277 0.673 0.465 0.831 0.584 CB 1.435 83 residues pruned to eliminate duplicates Z: 9 14.303 1.778 0.917 0.632 0.875 0.875 CB 1.499 9 residues pruned to eliminate duplicates Z: 10 8.018 1.883 0.426 0.379 0.889 0.556 CB 1.274 10 residues pruned to eliminate duplicates Z: 49 46.536 2.317 0.705 0.562 0.958 0.646 CB 1.670 49 residues pruned to eliminate duplicates Z: 11 19.005 1.850 1.001 0.851 0.900 0.600 CA 1.336 11 residues pruned to eliminate duplicates Z: 9 8.976 1.632 0.355 0.693 1.000 0.750 CB 1.203 9 residues pruned to eliminate duplicates Z: 8 7.373 1.834 0.953 0.606 0.714 0.714 CB 0.985 8 residues pruned to eliminate duplicates Z: 21 9.605 1.903 0.320 0.329 0.850 0.450 CB 1.213 21 residues pruned to eliminate duplicates Z: 19 18.731 2.189 0.957 0.482 0.833 0.722 CB 1.259 19 residues pruned to eliminate duplicates Z: 12 11.132 1.875 0.691 0.440 0.909 0.636 CB 1.239 12 residues pruned to eliminate duplicates Z: 20 15.871 1.946 0.504 0.539 0.947 0.632 CB 1.264 20 residues pruned to eliminate duplicates Z: 21 13.747 1.984 0.546 0.428 0.850 0.550 CB 1.270 20 residues pruned to eliminate duplicates Z: 7 11.622 1.876 1.195 0.551 0.833 0.667 CA 1.316 Z: 21 21.217 2.060 1.121 0.471 0.900 0.550 CB 1.243 21 residues pruned to eliminate duplicates Z: 65 38.560 2.294 0.651 0.505 0.844 0.562 CB 1.500 65 residues pruned to eliminate duplicates Z: 18 13.149 1.971 0.534 0.504 0.824 0.647 CB 1.275 17 residues pruned to eliminate duplicates Z: 25 23.466 1.893 0.705 0.533 0.958 0.792 CB 1.499 25 residues pruned to eliminate duplicates Z: 6 4.498 1.756 -0.266 0.696 1.000 0.800 CB 1.305 Z: 42 40.225 2.249 0.895 0.528 0.902 0.585 CB 1.588 42 residues pruned to eliminate duplicates Z: 27 37.469 2.367 0.874 0.647 0.885 0.692 CB 1.633 27 residues pruned to eliminate duplicates Z: 11 16.674 2.084 0.481 0.792 0.900 0.700 CB 1.469 11 residues pruned to eliminate duplicates Z: 7 9.261 1.981 0.606 0.617 0.833 0.500 CB 1.277 7 residues pruned to eliminate duplicates Z: 49 33.570 2.296 0.781 0.485 0.854 0.562 CB 1.409 49 residues pruned to eliminate duplicates Z: 75 44.468 2.285 0.761 0.531 0.851 0.554 CB 1.464 75 residues pruned to eliminate duplicates Z: 20 13.735 2.003 0.703 0.337 0.842 0.474 CB 1.310 20 residues pruned to eliminate duplicates Z: 10 5.972 1.735 -0.044 0.857 1.000 0.889 CB 0.884 Z: 12 9.107 1.770 0.586 0.562 0.818 0.727 CB 1.126 11 residues pruned to eliminate duplicates Z: 9 5.102 1.614 0.343 0.555 0.875 0.625 CB 0.901 9 residues pruned to eliminate duplicates Z: 10 9.050 1.638 0.568 0.525 1.000 0.556 CB 1.147 10 residues pruned to eliminate duplicates Z: 11 6.275 1.616 0.338 0.420 0.800 0.600 N 1.248 11 residues pruned to eliminate duplicates Z: 12 7.210 1.538 0.424 0.546 0.818 0.364 CB 1.160 12 residues pruned to eliminate duplicates Z: 61 41.463 2.274 0.569 0.490 0.950 0.600 CB 1.596 61 residues pruned to eliminate duplicates Z: 11 19.954 1.850 1.040 0.869 1.000 0.600 CA 1.222 10 residues pruned to eliminate duplicates Z: 8 6.826 1.795 0.590 0.489 0.857 0.714 N 1.066 Z: 6 15.406 2.096 0.813 0.842 1.000 1.000 CB 1.351 11 residues pruned to eliminate duplicates Z: 32 19.743 2.177 0.562 0.424 0.839 0.581 CB 1.345 32 residues pruned to eliminate duplicates Z: 62 32.262 2.216 0.399 0.443 0.902 0.557 CB 1.567 62 residues pruned to eliminate duplicates Z: 23 16.119 2.224 0.479 0.418 0.864 0.636 CB 1.318 23 residues pruned to eliminate duplicates Z: 24 23.782 2.140 0.796 0.535 0.913 0.565 CB 1.365 25 residues pruned to eliminate duplicates Z: 6 3.556 1.533 0.545 0.440 0.600 0.400 C 1.190 6 residues pruned to eliminate duplicates Z: 62 42.183 2.280 0.575 0.515 0.902 0.623 CB 1.644 62 residues pruned to eliminate duplicates Z: 33 24.505 2.210 0.553 0.421 0.906 0.656 CB 1.512 33 residues pruned to eliminate duplicates Z: 10 12.052 2.136 0.405 0.835 0.778 0.778 CB 1.289 10 residues pruned to eliminate duplicates Z: 13 5.468 1.585 0.491 0.272 0.833 0.417 CB 1.038 13 residues pruned to eliminate duplicates Z: 29 20.779 2.150 0.537 0.459 0.821 0.429 CB 1.508 29 residues pruned to eliminate duplicates Z: 60 38.508 2.260 0.513 0.512 0.898 0.593 CB 1.612 60 residues pruned to eliminate duplicates Z: 68 36.829 2.227 0.862 0.454 0.836 0.627 CB 1.361 67 residues pruned to eliminate duplicates Z: 40 14.185 1.997 0.452 0.300 0.846 0.564 CB 1.157 39 residues pruned to eliminate duplicates Z: 11 2.579 1.393 0.105 0.271 0.800 0.300 CB 0.859 Z: 27 9.451 1.960 0.391 0.282 0.769 0.462 CB 1.131 27 residues pruned to eliminate duplicates Z: 16 25.762 1.972 0.817 0.728 1.000 0.800 CA 1.512 18 residues pruned to eliminate duplicates Z: 10 12.703 1.812 0.626 0.790 0.778 0.778 CA 1.433 10 residues pruned to eliminate duplicates Z: 44 29.392 2.228 0.601 0.474 0.907 0.512 CB 1.422 44 residues pruned to eliminate duplicates Z: 23 22.437 2.114 0.629 0.453 0.909 0.409 CB 1.604 23 residues pruned to eliminate duplicates Z: 10 11.381 1.981 0.694 0.623 0.778 0.778 CB 1.294 10 residues pruned to eliminate duplicates Z: 13 12.103 1.854 0.718 0.569 0.917 0.750 CB 1.119 13 residues pruned to eliminate duplicates Z: 8 12.825 1.932 1.167 0.588 0.714 0.714 CA 1.489 8 residues pruned to eliminate duplicates Z: 12 16.817 1.850 0.773 0.435 1.000 0.818 CB 1.653 12 residues pruned to eliminate duplicates Z: 8 4.527 1.766 0.508 0.275 0.714 0.286 CB 1.161 8 residues pruned to eliminate duplicates Z: 57 33.145 2.212 0.530 0.446 0.875 0.554 CB 1.581 57 residues pruned to eliminate duplicates Z: 57 35.088 2.232 0.608 0.459 0.857 0.571 CB 1.589 57 residues pruned to eliminate duplicates Z: 10 17.136 1.876 0.757 0.800 0.889 0.667 CB 1.500 10 residues pruned to eliminate duplicates Z: 12 7.706 1.550 0.883 0.469 0.818 0.727 CB 1.004 13 residues pruned to eliminate duplicates Z: 8 2.152 1.682 -0.204 0.831 1.000 1.000 CB 0.456 Z: 37 26.265 2.076 0.653 0.554 0.889 0.639 CB 1.361 37 residues pruned to eliminate duplicates Z: 50 41.389 2.284 0.846 0.505 0.918 0.673 CB 1.519 50 residues pruned to eliminate duplicates Z: 19 10.592 1.933 0.351 0.527 0.778 0.389 CB 1.197 19 residues pruned to eliminate duplicates Z: 64 45.116 2.271 0.739 0.497 0.889 0.492 CB 1.625 64 residues pruned to eliminate duplicates Z: 27 9.850 1.691 0.252 0.346 0.885 0.577 CB 1.219 35 residues pruned to eliminate duplicates Z: 16 16.068 2.235 0.839 0.459 0.867 0.600 CB 1.214 16 residues pruned to eliminate duplicates Z: 7 17.188 2.218 0.569 0.710 1.000 0.833 CA 1.666 7 residues pruned to eliminate duplicates Z: 9 5.921 1.707 0.054 0.562 0.875 0.500 CB 1.251 Z: 60 43.030 2.307 0.632 0.511 0.949 0.610 CB 1.551 60 residues pruned to eliminate duplicates Z: 7 6.958 1.698 0.354 0.568 1.000 0.500 CB 1.157 6 residues pruned to eliminate duplicates Z: 7 2.885 1.687 -0.347 0.759 1.000 0.833 CB 0.850 7 residues pruned to eliminate duplicates Z: 11 17.198 2.062 0.505 0.886 1.000 0.700 CB 1.264 11 residues pruned to eliminate duplicates Z: 18 20.682 2.101 0.694 0.519 0.882 0.529 CB 1.566 18 residues pruned to eliminate duplicates Z: 12 17.495 1.928 0.636 0.665 1.000 0.909 CB 1.435 12 residues pruned to eliminate duplicates Z: 7 4.899 1.605 0.261 0.621 1.000 0.833 CB 0.882 Z: 60 42.334 2.271 0.689 0.547 0.864 0.593 CB 1.589 60 residues pruned to eliminate duplicates Z: 16 10.705 2.049 0.544 0.295 0.733 0.333 CB 1.498 16 residues pruned to eliminate duplicates Z: 7 3.929 1.721 0.155 0.390 0.667 0.500 CB 1.360 7 residues pruned to eliminate duplicates Z: 8 22.374 2.086 0.974 0.719 1.000 1.000 CB 1.685 8 residues pruned to eliminate duplicates Z: 10 6.717 1.680 0.307 0.352 1.000 0.444 CA 1.197 10 residues pruned to eliminate duplicates Z: 19 17.114 1.972 0.797 0.496 0.889 0.667 CB 1.286 19 residues pruned to eliminate duplicates Z: 7 2.747 1.674 -0.108 0.508 0.833 0.500 CB 0.894 Z: 24 20.407 1.859 0.724 0.550 0.913 0.739 CB 1.384 24 residues pruned to eliminate duplicates Z: 21 14.870 1.740 0.600 0.583 0.850 0.550 CB 1.298 7 residues pruned to eliminate duplicates Z: 6 5.049 1.337 0.729 0.616 0.800 0.600 N 1.095 Z: 9 11.870 1.992 0.538 0.563 0.875 0.500 CB 1.473 9 residues pruned to eliminate duplicates Z: 23 20.805 2.020 1.216 0.445 0.864 0.500 CB 1.215 36 residues pruned to eliminate duplicates Z: 7 3.858 1.710 -0.287 0.791 1.000 0.500 N 1.001 Z: 6 4.797 1.686 -0.289 0.882 1.000 1.000 CB 1.295 Z: 23 16.730 2.216 0.852 0.452 0.818 0.636 CB 1.115 23 residues pruned to eliminate duplicates Z: 6 9.604 2.269 0.344 0.547 0.800 0.400 CA 1.681 6 residues pruned to eliminate duplicates Z: 9 8.638 1.992 0.589 0.540 0.750 0.625 CB 1.237 9 residues pruned to eliminate duplicates Z: 25 37.419 2.295 0.868 0.653 0.958 0.667 CB 1.611 25 residues pruned to eliminate duplicates Z: 15 26.413 2.077 0.857 0.701 0.929 0.786 CB 1.641 15 residues pruned to eliminate duplicates Z: 23 14.849 2.029 0.483 0.416 0.773 0.545 CB 1.486 23 residues pruned to eliminate duplicates Z: 12 19.794 2.297 0.666 0.631 0.909 0.727 CB 1.517 12 residues pruned to eliminate duplicates Z: 8 6.182 1.602 0.027 0.706 1.000 0.714 CB 1.177 6 residues pruned to eliminate duplicates Z: 27 21.652 2.177 0.819 0.395 0.846 0.538 CB 1.416 27 residues pruned to eliminate duplicates Z: 11 6.702 1.630 1.000 0.488 0.800 0.600 N 0.823 11 residues pruned to eliminate duplicates Z: 12 6.525 1.863 0.598 0.336 0.727 0.455 CB 1.087 12 residues pruned to eliminate duplicates Z: 51 41.106 2.287 0.893 0.536 0.900 0.680 CB 1.439 51 residues pruned to eliminate duplicates Z: 9 6.484 1.703 0.815 0.499 1.000 0.625 N 0.742 9 residues pruned to eliminate duplicates Z: 9 6.398 1.680 0.525 0.470 0.875 0.750 CB 1.040 9 residues pruned to eliminate duplicates Z: 48 35.443 2.221 0.639 0.495 0.894 0.553 CB 1.597 48 residues pruned to eliminate duplicates Z: 11 13.065 1.995 1.120 0.476 0.700 0.400 CA 1.430 11 residues pruned to eliminate duplicates Z: 8 6.548 1.912 -0.205 0.824 1.000 1.000 CB 1.230 8 residues pruned to eliminate duplicates Z: 11 9.911 1.859 0.575 0.487 0.800 0.700 CB 1.356 11 residues pruned to eliminate duplicates Z: 8 6.486 1.964 -0.415 0.884 1.000 1.000 CB 1.541 8 residues pruned to eliminate duplicates Z: 13 18.983 2.191 0.816 0.526 0.833 0.750 CB 1.612 13 residues pruned to eliminate duplicates Z: 11 16.082 1.836 1.000 0.696 0.900 0.900 CB 1.286 11 residues pruned to eliminate duplicates Z: 6 2.985 1.764 0.070 0.261 0.800 0.200 CB 1.161 Z: 27 22.272 2.101 0.580 0.512 0.885 0.731 CB 1.469 27 residues pruned to eliminate duplicates Z: 19 15.896 1.754 0.608 0.596 0.944 0.611 CB 1.283 19 residues pruned to eliminate duplicates Z: 26 23.327 2.050 0.916 0.432 0.880 0.560 CB 1.448 26 residues pruned to eliminate duplicates Z: 17 10.107 2.008 0.630 0.333 0.688 0.375 CA 1.348 17 residues pruned to eliminate duplicates Z: 20 24.672 2.223 0.583 0.521 0.947 0.526 CB 1.663 20 residues pruned to eliminate duplicates Z: 7 4.357 1.390 0.299 0.493 1.000 0.333 CA 0.993 7 residues pruned to eliminate duplicates Z: 9 7.875 1.642 0.062 0.727 1.000 0.750 CB 1.301 10 residues pruned to eliminate duplicates Z: 19 16.429 2.160 0.825 0.430 0.833 0.444 CB 1.268 18 residues pruned to eliminate duplicates Z: 25 24.488 1.917 0.812 0.581 0.958 0.708 CB 1.389 25 residues pruned to eliminate duplicates Z: 14 8.241 1.767 0.456 0.388 0.769 0.538 CB 1.301 14 residues pruned to eliminate duplicates Z: 6 3.536 1.476 0.277 0.456 0.800 0.600 C 1.098 Z: 9 5.443 1.610 -0.023 0.556 0.875 0.625 C 1.325 7 residues pruned to eliminate duplicates Z: 7 14.723 2.035 0.641 0.791 1.000 0.833 CB 1.394 7 residues pruned to eliminate duplicates Z: 7 14.850 1.981 0.991 0.679 0.833 0.833 CB 1.564 7 residues pruned to eliminate duplicates Z: 12 13.950 1.927 0.385 0.742 1.000 0.545 CB 1.268 11 residues pruned to eliminate duplicates Z: 10 4.058 1.641 0.246 0.648 0.778 0.556 CB 0.741 Z: 39 35.458 2.336 0.595 0.471 0.974 0.474 CB 1.632 39 residues pruned to eliminate duplicates Z: 15 10.959 2.035 0.484 0.506 0.786 0.500 CB 1.228 15 residues pruned to eliminate duplicates Z: 88 43.209 2.266 0.713 0.507 0.839 0.552 CB 1.412 88 residues pruned to eliminate duplicates 6 1.647 1.537 0.157 0.281 0.600 0.400 C 0.884 ? Z: 23 25.773 2.002 0.792 0.602 1.000 0.591 CB 1.390 23 residues pruned to eliminate duplicates Z: 11 15.996 1.842 1.076 0.825 0.800 0.500 CA 1.248 11 residues pruned to eliminate duplicates Z: 6 3.686 1.750 0.094 0.611 0.800 0.400 O 0.969 6 residues pruned to eliminate duplicates Z: 49 29.974 2.237 0.399 0.445 0.917 0.562 CB 1.596 49 residues pruned to eliminate duplicates Z: 12 4.919 1.642 0.500 0.318 0.727 0.364 CB 1.013 Z: 66 37.787 2.249 0.736 0.479 0.831 0.585 CB 1.477 66 residues pruned to eliminate duplicates Z: 17 26.913 2.008 0.844 0.657 1.000 0.750 CB 1.570 18 residues pruned to eliminate duplicates Z: 14 15.477 2.053 0.587 0.589 0.846 0.462 CB 1.429 14 residues pruned to eliminate duplicates Z: 6 3.441 1.713 -0.400 0.675 1.000 0.800 CB 1.275 Z: 7 3.231 1.640 -0.022 0.422 0.833 0.333 CA 1.070 Z: 15 17.284 2.187 0.537 0.507 0.857 0.500 CA 1.592 15 residues pruned to eliminate duplicates Z: 12 4.313 1.481 0.611 0.258 0.818 0.455 CB 0.879 12 residues pruned to eliminate duplicates Z: 16 13.837 1.776 0.586 0.516 0.933 0.733 CA 1.337 16 residues pruned to eliminate duplicates Z: 62 41.880 2.277 0.618 0.515 0.902 0.623 CB 1.591 62 residues pruned to eliminate duplicates Z: 16 14.277 2.315 0.434 0.358 0.867 0.467 CB 1.494 16 residues pruned to eliminate duplicates Z: 8 4.402 1.453 0.130 0.579 1.000 0.571 CB 0.940 9 residues pruned to eliminate duplicates Z: 14 28.682 2.382 0.839 0.639 1.000 0.615 CB 1.595 14 residues pruned to eliminate duplicates Z: 38 44.682 2.390 0.831 0.612 0.892 0.676 CB 1.693 38 residues pruned to eliminate duplicates Z: 7 7.749 1.869 -0.139 0.822 1.000 1.000 CB 1.487 7 residues pruned to eliminate duplicates Z: 22 14.127 1.924 0.646 0.352 0.905 0.619 CB 1.262 22 residues pruned to eliminate duplicates Z: 10 3.046 1.387 0.212 0.383 0.778 0.667 CB 0.880 Z: 8 4.994 1.621 0.167 0.409 0.857 0.714 CB 1.281 6 residues pruned to eliminate duplicates Z: 28 21.253 2.024 0.807 0.468 0.889 0.593 CB 1.301 28 residues pruned to eliminate duplicates Z: 28 23.605 2.049 0.666 0.507 0.963 0.630 CB 1.371 28 residues pruned to eliminate duplicates Z: 34 30.864 2.137 0.722 0.505 0.939 0.727 CB 1.546 34 residues pruned to eliminate duplicates Z: 7 2.581 1.549 0.190 0.294 0.667 0.667 CB 1.080 Z: 6 5.422 1.594 0.142 0.830 1.000 0.400 CB 1.001 7 residues pruned to eliminate duplicates Z: 20 20.064 2.039 1.079 0.497 0.947 0.632 CB 1.149 20 residues pruned to eliminate duplicates Z: 6 6.760 1.755 0.596 0.639 1.000 0.800 CA 0.948 6 residues pruned to eliminate duplicates Z: 11 20.133 2.064 0.685 0.864 1.000 0.500 CB 1.343 12 residues pruned to eliminate duplicates Z: 23 15.692 2.006 0.770 0.482 0.864 0.500 CB 1.111 31 residues pruned to eliminate duplicates Z: 25 17.787 1.940 0.618 0.522 0.875 0.500 CB 1.293 25 residues pruned to eliminate duplicates Z: 6 3.935 1.521 0.798 0.335 0.800 0.800 CB 0.963 6 residues pruned to eliminate duplicates Z: 18 18.525 2.200 0.330 0.416 1.000 0.647 CB 1.676 18 residues pruned to eliminate duplicates Z: 53 43.608 2.336 0.861 0.524 0.865 0.558 CB 1.570 53 residues pruned to eliminate duplicates Z: 7 3.537 1.365 0.567 0.371 0.833 0.667 N 0.930 Z: 32 17.546 1.858 0.440 0.493 0.935 0.645 CB 1.268 32 residues pruned to eliminate duplicates Z: 42 18.468 2.054 0.482 0.417 0.829 0.512 CB 1.246 42 residues pruned to eliminate duplicates Z: 14 5.050 1.365 0.554 0.295 0.846 0.385 CB 0.981 Z: 63 41.983 2.230 0.862 0.520 0.903 0.661 CB 1.395 63 residues pruned to eliminate duplicates Z: 11 4.651 1.611 -0.116 0.579 0.900 0.600 CB 1.063 Z: 58 39.094 2.292 0.765 0.468 0.877 0.596 CB 1.508 58 residues pruned to eliminate duplicates Z: 23 14.747 2.169 0.563 0.382 0.818 0.545 CB 1.285 23 residues pruned to eliminate duplicates Z: 8 2.338 1.433 0.211 0.194 0.714 0.286 O 1.027 Z: 19 13.896 1.872 0.782 0.386 0.889 0.611 CB 1.247 19 residues pruned to eliminate duplicates Z: 8 11.922 2.007 0.591 0.564 0.857 0.571 CB 1.547 8 residues pruned to eliminate duplicates Z: 43 34.999 2.283 0.618 0.466 0.929 0.619 CB 1.631 43 residues pruned to eliminate duplicates Z: 26 16.886 1.671 0.899 0.501 0.840 0.640 CB 1.265 22 residues pruned to eliminate duplicates Z: 11 15.664 2.033 0.539 0.878 0.900 0.700 CB 1.276 11 residues pruned to eliminate duplicates Z: 12 19.616 2.083 0.721 0.715 0.909 0.727 CB 1.494 12 residues pruned to eliminate duplicates Z: 8 4.306 1.319 0.444 0.577 0.714 0.571 N 1.110 6 residues pruned to eliminate duplicates Z: 29 12.130 1.761 0.541 0.422 0.786 0.571 CB 1.166 23 residues pruned to eliminate duplicates Z: 8 7.207 1.727 0.115 0.615 1.000 0.429 CB 1.269 8 residues pruned to eliminate duplicates Z: 49 39.257 2.246 0.904 0.506 0.854 0.562 CB 1.541 49 residues pruned to eliminate duplicates Z: 9 11.491 2.022 0.395 0.498 1.000 0.625 CB 1.443 9 residues pruned to eliminate duplicates Z: 42 41.023 2.277 1.095 0.493 0.829 0.561 CB 1.630 42 residues pruned to eliminate duplicates Z: 15 10.478 1.861 0.494 0.440 0.857 0.357 CB 1.250 15 residues pruned to eliminate duplicates Z: 19 18.112 1.782 0.786 0.642 0.944 0.667 CB 1.244 19 residues pruned to eliminate duplicates Z: 17 13.289 1.913 0.708 0.334 0.750 0.625 C 1.626 17 residues pruned to eliminate duplicates Z: 9 5.641 1.843 -0.214 0.716 1.000 0.750 CB 1.132 9 residues pruned to eliminate duplicates Z: 31 28.406 2.271 0.829 0.547 0.800 0.600 CB 1.490 31 residues pruned to eliminate duplicates Z: 13 10.625 2.121 0.644 0.426 0.833 0.583 CB 1.140 13 residues pruned to eliminate duplicates Z: 6 2.611 1.588 0.399 0.219 0.800 0.600 CA 0.914 6 residues pruned to eliminate duplicates Z: 19 9.727 1.742 0.516 0.420 0.722 0.500 CB 1.307 14 residues pruned to eliminate duplicates Z: 24 16.974 2.221 0.439 0.407 0.913 0.565 CB 1.337 24 residues pruned to eliminate duplicates Z: 49 40.807 2.352 0.862 0.520 0.875 0.646 CB 1.507 49 residues pruned to eliminate duplicates Z: 54 42.373 2.339 0.702 0.520 0.868 0.472 CB 1.651 54 residues pruned to eliminate duplicates Z: 9 6.836 1.660 0.434 0.541 0.875 0.625 CB 1.114 9 residues pruned to eliminate duplicates Z: 22 19.689 1.849 0.889 0.601 0.952 0.714 CB 1.174 22 residues pruned to eliminate duplicates Z: 13 11.008 1.810 0.471 0.645 1.000 0.583 CB 1.042 13 residues pruned to eliminate duplicates Z: 7 5.151 1.816 -0.217 0.839 1.000 1.000 CB 1.103 7 residues pruned to eliminate duplicates Z: 12 13.715 1.970 0.876 0.508 0.909 0.545 CB 1.221 Z: 18 24.547 2.245 0.813 0.588 0.882 0.588 CB 1.523 18 residues pruned to eliminate duplicates Z: 20 22.424 2.184 0.390 0.580 0.947 0.632 CB 1.657 20 residues pruned to eliminate duplicates Z: 59 37.770 2.271 0.626 0.522 0.845 0.517 CB 1.555 59 residues pruned to eliminate duplicates Z: 14 11.459 1.546 0.764 0.536 0.923 0.615 CB 1.219 14 residues pruned to eliminate duplicates Z: 6 9.786 2.057 0.023 0.655 1.000 0.600 CA 1.802 6 residues pruned to eliminate duplicates Z: 10 7.356 1.815 0.614 0.467 0.667 0.667 CB 1.298 10 residues pruned to eliminate duplicates Z: 18 22.204 2.051 0.936 0.518 0.941 0.647 CB 1.415 19 residues pruned to eliminate duplicates Z: 8 14.993 2.017 0.968 0.640 0.857 0.571 CA 1.461 8 residues pruned to eliminate duplicates Z: 7 9.945 1.613 0.562 0.728 1.000 0.833 CB 1.313 7 residues pruned to eliminate duplicates Z: 26 16.163 2.101 0.325 0.421 0.880 0.480 CB 1.432 26 residues pruned to eliminate duplicates Z: 40 28.882 2.141 0.689 0.474 0.897 0.538 CB 1.463 40 residues pruned to eliminate duplicates Z: 6 11.032 1.987 0.499 0.845 1.000 1.000 CB 1.232 6 residues pruned to eliminate duplicates Z: 7 12.619 1.567 0.930 0.843 1.000 1.000 CB 1.269 7 residues pruned to eliminate duplicates Z: 7 7.892 1.802 -0.108 0.854 1.000 1.000 N 1.480 7 residues pruned to eliminate duplicates Z: 16 9.564 1.833 0.346 0.321 0.800 0.467 CB 1.525 16 residues pruned to eliminate duplicates Z: 6 2.086 1.579 -0.017 0.210 0.800 0.200 CB 1.057 6 residues pruned to eliminate duplicates Z: 18 22.338 1.925 0.738 0.659 0.941 0.647 CB 1.484 17 residues pruned to eliminate duplicates Z: 9 7.238 1.441 0.527 0.677 1.000 0.625 CB 0.989 8 residues pruned to eliminate duplicates Z: 16 10.973 1.910 0.566 0.388 0.867 0.600 CB 1.231 16 residues pruned to eliminate duplicates Z: 8 9.781 1.899 0.324 0.612 0.857 0.571 C 1.542 8 residues pruned to eliminate duplicates Z: 6 3.983 1.749 -0.144 0.464 1.000 0.400 C 1.234 4 residues pruned to eliminate duplicates Z: 33 26.320 2.221 0.765 0.505 0.875 0.656 CB 1.350 48 residues pruned to eliminate duplicates Z: 51 26.739 1.974 0.749 0.529 0.900 0.680 CB 1.183 51 residues pruned to eliminate duplicates Z: 7 10.401 1.915 0.574 0.634 0.833 0.833 CA 1.491 7 residues pruned to eliminate duplicates Z: 8 12.329 1.732 0.695 0.609 1.000 0.714 CA 1.431 8 residues pruned to eliminate duplicates Z: 9 14.308 1.982 0.561 0.630 1.000 0.750 CB 1.448 9 residues pruned to eliminate duplicates Z: 6 3.406 1.597 0.327 0.453 0.800 0.800 CB 0.943 6 residues pruned to eliminate duplicates Z: 19 15.357 2.141 0.498 0.407 0.889 0.556 CB 1.399 19 residues pruned to eliminate duplicates Z: 7 8.393 1.803 0.385 0.714 0.833 0.667 CB 1.356 7 residues pruned to eliminate duplicates Z: 9 9.146 1.807 0.515 0.609 0.875 0.750 CB 1.218 9 residues pruned to eliminate duplicates Z: 6 3.864 1.547 -0.022 0.556 1.000 0.400 CB 1.081 Z: 20 23.155 2.300 0.493 0.439 1.000 0.737 CB 1.647 20 residues pruned to eliminate duplicates Z: 7 2.537 1.571 -0.281 0.510 0.833 0.500 CB 1.089 Z: 18 11.975 1.780 0.722 0.627 0.824 0.529 CB 1.021 17 residues pruned to eliminate duplicates Z: 27 37.763 2.303 0.944 0.607 0.923 0.654 CB 1.619 27 residues pruned to eliminate duplicates 11 1.563 1.409 0.358 0.148 0.700 0.600 CB 0.569 ? Z: 10 16.248 2.104 0.962 0.542 0.889 0.667 CB 1.417 10 residues pruned to eliminate duplicates Z: 7 11.224 1.850 0.610 0.742 1.000 0.500 CB 1.239 7 residues pruned to eliminate duplicates Z: 14 16.172 1.955 0.821 0.614 0.769 0.692 CA 1.470 26 residues pruned to eliminate duplicates Z: 7 2.450 1.286 0.472 0.341 0.667 0.667 C 0.942 Z: 10 3.259 1.448 0.048 0.469 0.889 0.333 CB 0.831 6 residues pruned to eliminate duplicates Z: 30 18.195 1.938 0.530 0.463 0.931 0.621 CB 1.270 30 residues pruned to eliminate duplicates Z: 8 2.323 1.254 0.235 0.234 0.857 0.429 CB 0.902 Z: 11 7.001 1.695 0.638 0.500 0.800 0.600 CB 0.997 11 residues pruned to eliminate duplicates Z: 19 9.895 2.115 0.664 0.387 0.722 0.611 CB 1.035 19 residues pruned to eliminate duplicates Z: 17 21.084 1.851 0.802 0.644 1.000 0.625 CB 1.381 16 residues pruned to eliminate duplicates Z: 64 45.677 2.218 0.942 0.525 0.857 0.603 CB 1.521 64 residues pruned to eliminate duplicates Z: 8 9.787 1.681 1.402 0.680 0.857 0.714 N 0.906 Z: 22 12.886 1.862 0.422 0.465 0.905 0.762 CB 1.216 22 residues pruned to eliminate duplicates Z: 8 10.455 1.884 0.730 0.510 1.000 0.571 CB 1.200 8 residues pruned to eliminate duplicates Z: 23 15.137 2.000 0.504 0.426 0.909 0.636 CB 1.274 23 residues pruned to eliminate duplicates Z: 17 5.141 1.409 0.484 0.337 0.688 0.375 N 1.067 17 residues pruned to eliminate duplicates Z: 14 7.559 1.989 0.243 0.367 0.923 0.615 CB 1.059 14 residues pruned to eliminate duplicates Z: 6 4.882 1.567 0.754 0.290 0.800 0.600 O 1.257 Z: 34 32.155 2.321 0.484 0.512 0.939 0.545 CA 1.710 34 residues pruned to eliminate duplicates Z: 7 4.053 1.741 0.093 0.551 1.000 0.500 CB 0.827 Z: 7 5.213 1.856 0.471 0.806 1.000 0.833 CB 0.597 Z: 10 16.257 2.207 0.515 0.689 0.889 0.778 CA 1.534 10 residues pruned to eliminate duplicates Z: 22 18.652 2.100 0.904 0.508 0.857 0.667 CB 1.179 22 residues pruned to eliminate duplicates 6 1.462 1.071 0.245 0.438 1.000 0.600 C 0.523 ? Z: 8 5.440 1.584 0.302 0.510 1.000 0.714 CB 0.987 8 residues pruned to eliminate duplicates Z: 39 28.101 2.146 0.479 0.501 0.895 0.526 CA 1.605 39 residues pruned to eliminate duplicates Z: 25 37.744 2.326 0.994 0.631 0.958 0.750 CB 1.533 25 residues pruned to eliminate duplicates Z: 8 6.165 1.859 0.323 0.458 0.857 0.571 CB 1.155 8 residues pruned to eliminate duplicates Z: 9 3.231 1.611 0.455 0.271 0.750 0.625 CB 0.842 9 residues pruned to eliminate duplicates Z: 51 42.645 2.309 0.807 0.522 0.920 0.620 CB 1.537 51 residues pruned to eliminate duplicates Z: 18 15.651 1.826 0.692 0.461 0.882 0.647 CB 1.449 18 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 78 43.403 2.224 0.693 0.465 0.883 0.571 CB 1.542 78 residues pruned to eliminate duplicates Z: 77 51.380 2.297 0.730 0.501 0.908 0.645 CB 1.631 77 residues pruned to eliminate duplicates Z: 76 48.523 2.295 0.630 0.489 0.933 0.613 CB 1.623 76 residues pruned to eliminate duplicates Z: 56 43.503 2.322 0.651 0.470 0.945 0.564 CB 1.668 56 residues pruned to eliminate duplicates Z: 58 36.125 2.298 0.501 0.443 0.895 0.456 CB 1.645 58 residues pruned to eliminate duplicates Z: 39 24.273 2.225 0.421 0.416 0.921 0.553 CB 1.475 39 residues pruned to eliminate duplicates Z: 76 50.779 2.268 0.750 0.485 0.960 0.653 CB 1.562 76 residues pruned to eliminate duplicates Z: 76 51.422 2.297 0.721 0.480 0.947 0.653 CB 1.619 76 residues pruned to eliminate duplicates Z: 81 49.445 2.261 0.768 0.483 0.913 0.575 CB 1.542 81 residues pruned to eliminate duplicates Z: 12 12.970 2.010 0.664 0.483 0.818 0.727 CB 1.454 12 residues pruned to eliminate duplicates Z: 17 13.758 1.902 0.540 0.533 0.875 0.562 CB 1.299 17 residues pruned to eliminate duplicates Z: 8 9.722 1.867 1.118 0.384 0.857 0.286 CB 1.227 8 residues pruned to eliminate duplicates Z: 92 48.544 2.211 0.675 0.487 0.901 0.538 CB 1.546 92 residues pruned to eliminate duplicates Z: 14 13.285 1.960 0.660 0.617 0.846 0.462 CB 1.199 14 residues pruned to eliminate duplicates Z: 8 13.229 1.962 0.597 0.899 1.000 1.000 CB 1.141 8 residues pruned to eliminate duplicates Z: 14 17.004 1.847 0.769 0.691 0.923 0.615 CB 1.313 14 residues pruned to eliminate duplicates Z: 12 16.575 1.910 0.765 0.749 1.000 0.636 CB 1.187 12 residues pruned to eliminate duplicates Z: 13 10.803 1.926 0.677 0.588 0.833 0.500 CB 1.065 13 residues pruned to eliminate duplicates Z: 13 14.805 1.950 0.946 0.633 0.833 0.583 CB 1.192 13 residues pruned to eliminate duplicates Z: 12 14.221 2.084 0.774 0.641 0.818 0.455 CB 1.243 12 residues pruned to eliminate duplicates Z: 15 12.190 1.994 0.861 0.556 0.714 0.643 CB 1.164 Z: 6 6.689 1.736 1.059 0.385 1.000 0.600 CA 0.946 6 residues pruned to eliminate duplicates Z: 14 14.664 1.974 0.950 0.667 0.769 0.692 CB 1.177 15 residues pruned to eliminate duplicates 6 1.496 1.523 0.535 0.291 0.400 0.000 N 0.904 ? Z: 6 4.792 1.587 0.747 0.250 0.800 0.200 CA 1.288 5 residues pruned to eliminate duplicates Z: 7 5.235 1.729 0.652 0.474 0.833 0.667 CB 0.921 7 residues pruned to eliminate duplicates Z: 23 13.787 1.829 0.734 0.408 0.864 0.364 CB 1.182 24 residues pruned to eliminate duplicates Z: 6 3.863 1.671 0.449 0.328 0.800 0.200 CA 1.077 6 residues pruned to eliminate duplicates Z: 20 9.987 1.902 0.393 0.397 0.789 0.474 CB 1.221 34 residues pruned to eliminate duplicates Z: 8 10.650 1.865 0.478 0.599 1.000 0.571 CA 1.329 Z: 7 5.409 1.678 0.683 0.471 0.833 0.500 CA 0.967 7 residues pruned to eliminate duplicates Z: 12 7.169 1.690 0.789 0.378 0.727 0.636 CB 1.120 12 residues pruned to eliminate duplicates Z: 8 9.214 1.784 0.532 0.578 1.000 0.857 CB 1.182 Z: 6 5.962 1.579 0.352 0.487 1.000 0.800 CB 1.265 6 residues pruned to eliminate duplicates Z: 7 10.707 1.896 1.144 0.611 0.833 0.833 CB 1.162 15 residues pruned to eliminate duplicates Z: 18 24.550 1.953 0.795 0.641 0.941 0.647 CA 1.582 17 residues pruned to eliminate duplicates Z: 9 7.919 1.783 0.624 0.328 0.875 0.500 CB 1.334 9 residues pruned to eliminate duplicates Z: 17 22.546 1.943 0.588 0.632 1.000 0.625 CB 1.614 17 residues pruned to eliminate duplicates Z: 17 26.799 1.933 0.855 0.754 1.000 0.812 CB 1.489 18 residues pruned to eliminate duplicates Z: 6 7.888 1.635 0.796 0.437 1.000 0.600 N 1.282 6 residues pruned to eliminate duplicates Z: 18 24.125 1.910 0.849 0.664 0.941 0.706 CB 1.512 18 residues pruned to eliminate duplicates 6 1.676 1.284 0.088 0.326 1.000 0.600 N 0.649 ? Z: 6 4.939 1.779 0.390 0.449 0.800 0.800 CA 1.176 6 residues pruned to eliminate duplicates Z: 9 13.269 2.279 0.835 0.417 0.750 0.375 CA 1.630 9 residues pruned to eliminate duplicates Z: 10 18.162 2.349 0.896 0.463 0.889 0.667 CB 1.588 10 residues pruned to eliminate duplicates Z: 21 10.962 2.150 0.486 0.331 0.750 0.500 CB 1.230 21 residues pruned to eliminate duplicates Z: 11 14.054 2.110 0.787 0.401 0.800 0.300 CA 1.636 11 residues pruned to eliminate duplicates Z: 14 10.155 2.126 0.560 0.401 0.846 0.462 CB 1.115 14 residues pruned to eliminate duplicates Z: 34 19.178 2.115 0.525 0.434 0.879 0.545 CB 1.262 34 residues pruned to eliminate duplicates Z: 9 10.347 1.932 0.626 0.473 0.875 0.500 CB 1.368 9 residues pruned to eliminate duplicates Z: 7 14.930 2.243 0.687 0.658 1.000 0.833 CB 1.391 7 residues pruned to eliminate duplicates Z: 20 15.868 2.317 0.628 0.349 0.842 0.632 CB 1.349 20 residues pruned to eliminate duplicates Z: 29 14.299 2.176 0.327 0.402 0.821 0.571 CB 1.263 29 residues pruned to eliminate duplicates Z: 24 18.509 2.256 0.463 0.461 0.870 0.609 CB 1.400 24 residues pruned to eliminate duplicates Z: 21 12.982 2.247 0.547 0.343 0.800 0.650 CB 1.238 21 residues pruned to eliminate duplicates Z: 77 44.359 2.323 0.687 0.465 0.882 0.553 CB 1.526 77 residues pruned to eliminate duplicates Z: 24 12.296 2.129 0.586 0.323 0.870 0.478 CB 1.061 24 residues pruned to eliminate duplicates Z: 69 38.156 2.250 0.644 0.442 0.838 0.500 CB 1.585 69 residues pruned to eliminate duplicates Z: 65 46.275 2.332 0.825 0.443 0.875 0.531 CB 1.646 65 residues pruned to eliminate duplicates Z: 24 26.146 2.235 0.908 0.382 0.870 0.652 CB 1.667 24 residues pruned to eliminate duplicates Z: 27 33.439 2.313 0.699 0.578 0.885 0.577 CB 1.750 27 residues pruned to eliminate duplicates Z: 37 22.368 2.196 0.580 0.418 0.833 0.528 CB 1.404 37 residues pruned to eliminate duplicates Z: 64 44.029 2.344 0.734 0.485 0.857 0.587 CB 1.616 64 residues pruned to eliminate duplicates Z: 37 25.999 2.211 0.688 0.415 0.889 0.556 CB 1.428 37 residues pruned to eliminate duplicates Z: 50 33.904 2.313 0.570 0.489 0.898 0.551 CB 1.501 50 residues pruned to eliminate duplicates Z: 10 7.629 1.880 0.611 0.329 0.778 0.111 CA 1.302 10 residues pruned to eliminate duplicates Z: 11 5.821 1.902 0.470 0.195 0.700 0.400 CA 1.353 11 residues pruned to eliminate duplicates Z: 71 48.425 2.316 0.709 0.515 0.871 0.586 CB 1.654 71 residues pruned to eliminate duplicates Z: 68 41.545 2.274 0.666 0.491 0.851 0.567 CB 1.589 68 residues pruned to eliminate duplicates Z: 76 46.968 2.290 0.741 0.525 0.867 0.573 CB 1.531 76 residues pruned to eliminate duplicates Z: 18 27.860 2.313 0.874 0.631 0.882 0.706 CB 1.563 18 residues pruned to eliminate duplicates Z: 67 38.349 2.274 0.755 0.445 0.864 0.621 CB 1.450 67 residues pruned to eliminate duplicates Z: 75 48.280 2.356 0.748 0.503 0.892 0.554 CB 1.523 75 residues pruned to eliminate duplicates Z: 39 35.147 2.267 0.905 0.495 0.816 0.605 CB 1.626 39 residues pruned to eliminate duplicates Z: 38 31.437 2.269 0.735 0.511 0.838 0.514 CB 1.550 38 residues pruned to eliminate duplicates Z: 35 24.095 2.234 0.712 0.448 0.706 0.529 CB 1.614 35 residues pruned to eliminate duplicates Z: 45 32.056 2.247 0.688 0.511 0.864 0.523 CB 1.459 45 residues pruned to eliminate duplicates Z: 46 37.343 2.356 0.948 0.477 0.778 0.533 CB 1.596 46 residues pruned to eliminate duplicates Z: 25 37.678 2.393 0.889 0.627 0.875 0.708 CB 1.726 25 residues pruned to eliminate duplicates Z: 56 48.998 2.371 0.877 0.547 0.873 0.527 CB 1.625 56 residues pruned to eliminate duplicates Z: 38 35.891 2.352 0.801 0.504 0.865 0.622 CB 1.605 38 residues pruned to eliminate duplicates Z: 50 34.428 2.260 0.794 0.466 0.857 0.592 CB 1.466 50 residues pruned to eliminate duplicates Z: 69 50.300 2.318 0.820 0.512 0.868 0.485 CB 1.647 69 residues pruned to eliminate duplicates Z: 55 50.252 2.399 0.815 0.554 0.907 0.556 CB 1.642 55 residues pruned to eliminate duplicates Z: 65 46.910 2.320 0.873 0.513 0.844 0.625 CB 1.580 65 residues pruned to eliminate duplicates Z: 51 52.577 2.416 0.878 0.547 0.900 0.580 CB 1.738 51 residues pruned to eliminate duplicates Z: 96 56.762 2.322 0.734 0.494 0.863 0.568 CB 1.686 96 residues pruned to eliminate duplicates Z: 69 42.087 2.299 0.692 0.479 0.809 0.471 CB 1.656 69 residues pruned to eliminate duplicates Z: 80 46.004 2.296 0.679 0.475 0.886 0.557 CB 1.555 80 residues pruned to eliminate duplicates Z: 77 41.169 2.286 0.663 0.480 0.855 0.579 CB 1.483 77 residues pruned to eliminate duplicates Z: 32 31.204 2.305 0.875 0.460 0.839 0.581 CB 1.610 32 residues pruned to eliminate duplicates Z: 61 48.845 2.330 0.836 0.553 0.867 0.667 CB 1.615 61 residues pruned to eliminate duplicates Z: 65 40.594 2.313 0.752 0.450 0.812 0.516 CB 1.622 65 residues pruned to eliminate duplicates Z: 83 47.896 2.279 0.779 0.473 0.890 0.598 CB 1.505 83 residues pruned to eliminate duplicates Z: 77 43.930 2.313 0.769 0.476 0.842 0.566 CB 1.499 77 residues pruned to eliminate duplicates Z: 72 42.357 2.263 0.711 0.457 0.831 0.592 CB 1.633 72 residues pruned to eliminate duplicates Z: 90 49.160 2.288 0.777 0.474 0.820 0.562 CB 1.605 90 residues pruned to eliminate duplicates Z: 71 45.964 2.293 0.833 0.505 0.814 0.571 CB 1.597 71 residues pruned to eliminate duplicates Z: 65 47.862 2.328 0.827 0.509 0.875 0.547 CB 1.593 65 residues pruned to eliminate duplicates Z: 83 44.807 2.259 0.798 0.478 0.829 0.500 CB 1.501 83 residues pruned to eliminate duplicates Z: 22 25.482 2.279 0.674 0.477 0.905 0.524 CB 1.649 22 residues pruned to eliminate duplicates Z: 32 31.554 2.317 0.722 0.477 0.871 0.484 CB 1.670 32 residues pruned to eliminate duplicates Z: 50 34.413 2.212 0.659 0.476 0.837 0.531 CB 1.641 50 residues pruned to eliminate duplicates Z: 23 19.968 2.286 0.562 0.432 0.773 0.500 CB 1.656 23 residues pruned to eliminate duplicates Z: 66 48.204 2.289 0.908 0.528 0.831 0.569 CB 1.603 66 residues pruned to eliminate duplicates Z: 37 34.750 2.238 0.885 0.470 0.889 0.528 CB 1.592 37 residues pruned to eliminate duplicates Z: 75 48.792 2.323 0.792 0.491 0.878 0.581 CB 1.566 75 residues pruned to eliminate duplicates Z: 60 36.824 2.197 0.717 0.490 0.831 0.593 CB 1.546 60 residues pruned to eliminate duplicates Z: 23 14.462 2.144 0.564 0.366 0.818 0.591 CB 1.297 23 residues pruned to eliminate duplicates Z: 24 15.703 2.189 0.525 0.392 0.870 0.478 CB 1.264 24 residues pruned to eliminate duplicates Z: 27 17.987 2.188 0.546 0.387 0.885 0.500 CB 1.329 27 residues pruned to eliminate duplicates Z: 36 22.297 2.231 0.510 0.392 0.857 0.514 CB 1.463 36 residues pruned to eliminate duplicates Z: 24 16.819 2.220 0.687 0.399 0.870 0.478 CB 1.199 24 residues pruned to eliminate duplicates Z: 24 14.208 2.237 0.511 0.396 0.870 0.696 CB 1.125 24 residues pruned to eliminate duplicates Z: 24 17.599 2.205 0.455 0.434 0.957 0.652 CB 1.281 24 residues pruned to eliminate duplicates Z: 56 38.001 2.297 0.804 0.457 0.909 0.545 CB 1.421 56 residues pruned to eliminate duplicates Z: 46 43.600 2.368 0.817 0.522 0.911 0.578 CB 1.622 46 residues pruned to eliminate duplicates Z: 18 8.362 1.808 0.363 0.383 0.882 0.529 CB 1.057 18 residues pruned to eliminate duplicates Z: 48 43.499 2.320 0.824 0.519 0.915 0.638 CB 1.608 48 residues pruned to eliminate duplicates Z: 49 37.228 2.278 0.818 0.499 0.875 0.667 CB 1.484 49 residues pruned to eliminate duplicates Z: 31 39.314 2.327 0.831 0.588 0.933 0.633 CB 1.658 31 residues pruned to eliminate duplicates Z: 66 37.506 2.299 0.849 0.440 0.815 0.554 CB 1.428 66 residues pruned to eliminate duplicates Z: 56 43.874 2.290 0.775 0.512 0.909 0.618 CB 1.582 56 residues pruned to eliminate duplicates Z: 43 46.031 2.376 0.879 0.532 0.905 0.667 CB 1.705 43 residues pruned to eliminate duplicates Z: 51 37.754 2.288 0.907 0.480 0.880 0.600 CB 1.419 51 residues pruned to eliminate duplicates Z: 48 40.969 2.339 0.792 0.483 0.915 0.596 CB 1.585 48 residues pruned to eliminate duplicates Z: 49 43.571 2.327 0.870 0.524 0.917 0.583 CB 1.540 49 residues pruned to eliminate duplicates Z: 48 41.172 2.344 0.870 0.489 0.872 0.574 CB 1.587 48 residues pruned to eliminate duplicates Z: 54 40.578 2.310 0.985 0.458 0.849 0.566 CB 1.494 54 residues pruned to eliminate duplicates Z: 73 45.249 2.287 0.884 0.469 0.889 0.597 CB 1.437 73 residues pruned to eliminate duplicates Z: 42 55.054 2.413 1.044 0.572 0.927 0.683 CB 1.755 42 residues pruned to eliminate duplicates Z: 44 46.253 2.390 0.908 0.558 0.884 0.605 CB 1.655 44 residues pruned to eliminate duplicates Z: 45 43.645 2.329 0.926 0.550 0.886 0.659 CB 1.577 45 residues pruned to eliminate duplicates Z: 43 38.171 2.289 0.911 0.494 0.881 0.571 CB 1.538 43 residues pruned to eliminate duplicates Z: 46 45.918 2.347 0.902 0.547 0.911 0.667 CB 1.608 46 residues pruned to eliminate duplicates Z: 61 45.741 2.348 0.885 0.492 0.900 0.667 CB 1.495 61 residues pruned to eliminate duplicates Z: 48 44.276 2.335 0.915 0.521 0.915 0.660 CB 1.547 48 residues pruned to eliminate duplicates Z: 48 46.197 2.328 0.981 0.543 0.894 0.596 CB 1.567 48 residues pruned to eliminate duplicates Z: 58 36.533 2.283 0.936 0.454 0.825 0.632 CB 1.391 58 residues pruned to eliminate duplicates Z: 58 33.129 2.243 0.717 0.427 0.877 0.509 CB 1.401 58 residues pruned to eliminate duplicates Z: 47 41.787 2.331 0.757 0.511 0.957 0.587 CB 1.556 47 residues pruned to eliminate duplicates Z: 67 39.356 2.287 0.770 0.434 0.894 0.606 CB 1.433 67 residues pruned to eliminate duplicates Z: 58 36.038 2.285 0.814 0.450 0.895 0.544 CB 1.355 58 residues pruned to eliminate duplicates Z: 51 35.022 2.300 0.723 0.456 0.900 0.580 CB 1.453 51 residues pruned to eliminate duplicates Z: 43 44.232 2.274 0.867 0.584 0.952 0.643 CB 1.557 43 residues pruned to eliminate duplicates Z: 66 37.335 2.274 0.797 0.417 0.877 0.615 CB 1.409 66 residues pruned to eliminate duplicates Z: 25 35.841 2.351 1.086 0.573 0.917 0.583 CB 1.517 25 residues pruned to eliminate duplicates Z: 60 42.245 2.239 0.747 0.487 0.915 0.593 CB 1.557 60 residues pruned to eliminate duplicates Z: 27 30.219 2.285 0.804 0.540 0.885 0.538 CB 1.564 27 residues pruned to eliminate duplicates Z: 61 42.920 2.317 0.789 0.505 0.900 0.617 CB 1.478 61 residues pruned to eliminate duplicates Z: 15 12.097 2.124 0.532 0.404 0.929 0.429 CB 1.183 15 residues pruned to eliminate duplicates Z: 65 41.575 2.303 0.871 0.463 0.828 0.578 CB 1.512 65 residues pruned to eliminate duplicates Z: 19 20.527 2.192 0.877 0.416 0.833 0.500 CB 1.540 19 residues pruned to eliminate duplicates Z: 47 48.236 2.357 0.946 0.552 0.935 0.674 CB 1.577 47 residues pruned to eliminate duplicates Z: 71 38.301 2.149 0.681 0.517 0.871 0.614 CB 1.430 71 residues pruned to eliminate duplicates Z: 47 39.004 2.266 0.769 0.509 0.891 0.696 CB 1.596 47 residues pruned to eliminate duplicates Z: 19 15.249 2.113 0.485 0.410 0.833 0.611 CB 1.511 19 residues pruned to eliminate duplicates Z: 54 35.196 2.256 0.749 0.459 0.849 0.623 CB 1.505 54 residues pruned to eliminate duplicates Z: 18 14.576 2.141 0.372 0.369 0.882 0.471 CB 1.570 18 residues pruned to eliminate duplicates Z: 13 13.382 2.104 0.275 0.468 1.000 0.583 CB 1.488 13 residues pruned to eliminate duplicates Z: 15 10.347 1.960 0.430 0.394 0.857 0.643 CB 1.288 15 residues pruned to eliminate duplicates Z: 25 16.486 2.030 0.349 0.467 0.833 0.583 CB 1.525 25 residues pruned to eliminate duplicates Z: 15 13.134 1.968 0.308 0.518 0.929 0.714 CB 1.443 15 residues pruned to eliminate duplicates Z: 12 15.462 2.199 0.302 0.493 1.000 0.636 CB 1.640 12 residues pruned to eliminate duplicates Z: 58 44.463 2.272 0.702 0.562 0.895 0.614 CB 1.603 58 residues pruned to eliminate duplicates Z: 18 15.399 2.169 0.480 0.403 0.824 0.647 CB 1.565 18 residues pruned to eliminate duplicates Z: 11 15.813 2.125 0.580 0.627 0.900 0.500 CA 1.469 11 residues pruned to eliminate duplicates Z: 8 13.287 2.011 0.538 0.627 1.000 0.857 CA 1.441 8 residues pruned to eliminate duplicates Z: 20 17.711 2.065 0.629 0.486 0.895 0.632 CB 1.369 20 residues pruned to eliminate duplicates Z: 6 3.191 1.606 0.829 0.366 0.600 0.000 CB 0.935 6 residues pruned to eliminate duplicates Z: 23 27.073 2.061 0.769 0.538 1.000 0.636 CB 1.525 22 residues pruned to eliminate duplicates Z: 6 2.630 1.482 0.359 0.386 0.800 0.000 CA 0.824 6 residues pruned to eliminate duplicates Z: 22 25.602 1.981 0.995 0.540 0.952 0.714 CB 1.428 22 residues pruned to eliminate duplicates Z: 6 6.933 1.732 1.133 0.320 0.800 0.600 CB 1.280 6 residues pruned to eliminate duplicates Z: 22 29.676 2.073 0.959 0.588 1.000 0.524 CB 1.466 22 residues pruned to eliminate duplicates Z: 23 16.691 2.005 0.596 0.482 0.864 0.500 CB 1.311 23 residues pruned to eliminate duplicates Z: 16 17.743 2.147 0.779 0.439 0.933 0.533 CB 1.368 16 residues pruned to eliminate duplicates Z: 19 27.994 2.214 0.780 0.602 0.944 0.722 CA 1.608 19 residues pruned to eliminate duplicates Z: 20 18.509 2.040 0.621 0.456 0.947 0.579 CA 1.418 20 residues pruned to eliminate duplicates Z: 15 16.843 1.985 1.233 0.473 0.786 0.571 CB 1.328 15 residues pruned to eliminate duplicates Z: 15 11.220 2.031 0.933 0.435 0.786 0.500 CB 1.039 15 residues pruned to eliminate duplicates Z: 64 34.467 2.182 0.574 0.403 0.921 0.556 CB 1.521 64 residues pruned to eliminate duplicates Z: 9 17.342 2.091 0.823 0.613 1.000 0.875 CB 1.446 10 residues pruned to eliminate duplicates Z: 6 2.429 1.150 0.384 0.405 0.800 0.800 N 0.943 6 residues pruned to eliminate duplicates Z: 9 11.351 1.745 0.597 0.608 1.000 0.625 CB 1.300 9 residues pruned to eliminate duplicates Z: 6 6.562 1.672 0.527 0.472 1.000 0.400 CA 1.183 Z: 6 3.518 1.577 1.353 0.419 0.800 0.800 CB 0.576 Z: 7 6.244 2.006 0.327 0.329 0.833 0.667 CA 1.386 7 residues pruned to eliminate duplicates Z: 62 40.225 2.259 0.579 0.473 0.934 0.590 CB 1.588 62 residues pruned to eliminate duplicates Z: 41 31.523 2.290 0.611 0.494 0.825 0.575 CB 1.647 41 residues pruned to eliminate duplicates Z: 62 47.009 2.296 0.632 0.522 0.951 0.656 CB 1.652 62 residues pruned to eliminate duplicates Z: 40 37.534 2.301 0.637 0.552 0.923 0.590 CB 1.644 40 residues pruned to eliminate duplicates Z: 61 43.759 2.292 0.618 0.509 0.933 0.617 CB 1.618 61 residues pruned to eliminate duplicates Z: 25 23.758 2.188 0.591 0.488 0.875 0.625 CB 1.610 25 residues pruned to eliminate duplicates Z: 61 42.256 2.286 0.593 0.489 0.933 0.550 CB 1.623 61 residues pruned to eliminate duplicates Z: 23 13.569 2.066 0.470 0.371 0.682 0.409 CB 1.604 23 residues pruned to eliminate duplicates Z: 61 40.538 2.288 0.585 0.478 0.917 0.583 CB 1.610 61 residues pruned to eliminate duplicates Z: 41 34.120 2.238 0.672 0.504 0.900 0.525 CB 1.596 41 residues pruned to eliminate duplicates Z: 36 27.888 2.261 0.524 0.467 0.857 0.486 CA 1.651 36 residues pruned to eliminate duplicates Z: 45 22.264 2.100 0.464 0.434 0.795 0.455 CA 1.470 45 residues pruned to eliminate duplicates Z: 60 46.860 2.320 0.665 0.525 0.949 0.627 CB 1.624 66 residues pruned to eliminate duplicates Z: 55 42.209 2.319 0.616 0.499 0.963 0.611 CB 1.593 55 residues pruned to eliminate duplicates Z: 55 40.001 2.305 0.655 0.469 0.907 0.519 CB 1.623 55 residues pruned to eliminate duplicates Z: 33 28.334 2.305 0.570 0.506 0.844 0.531 CB 1.631 33 residues pruned to eliminate duplicates Z: 49 32.498 2.170 0.624 0.505 0.896 0.521 CB 1.478 49 residues pruned to eliminate duplicates Z: 59 46.911 2.338 0.673 0.517 0.948 0.603 CB 1.633 59 residues pruned to eliminate duplicates Z: 61 47.973 2.279 0.753 0.515 0.933 0.600 CB 1.637 67 residues pruned to eliminate duplicates Z: 62 41.786 2.280 0.668 0.497 0.885 0.590 CB 1.594 62 residues pruned to eliminate duplicates Z: 38 37.643 2.376 0.618 0.501 0.973 0.622 CB 1.652 38 residues pruned to eliminate duplicates Z: 28 30.606 2.301 0.641 0.508 0.926 0.556 CB 1.670 28 residues pruned to eliminate duplicates Z: 76 44.427 2.239 0.648 0.468 0.907 0.587 CB 1.585 76 residues pruned to eliminate duplicates Z: 22 18.291 2.221 0.462 0.449 0.762 0.524 CA 1.700 22 residues pruned to eliminate duplicates Z: 43 31.004 2.181 0.647 0.481 0.881 0.571 CB 1.541 43 residues pruned to eliminate duplicates Z: 60 41.627 2.280 0.636 0.467 0.915 0.559 CB 1.641 60 residues pruned to eliminate duplicates Z: 34 29.565 2.281 0.617 0.479 0.879 0.576 CB 1.622 34 residues pruned to eliminate duplicates Z: 34 30.926 2.354 0.519 0.483 0.909 0.545 CB 1.685 34 residues pruned to eliminate duplicates Z: 62 45.586 2.279 0.632 0.525 0.934 0.623 CB 1.639 62 residues pruned to eliminate duplicates Z: 21 21.291 2.303 0.508 0.475 0.850 0.500 CA 1.654 21 residues pruned to eliminate duplicates Z: 54 46.848 2.330 0.710 0.542 0.925 0.642 CB 1.676 54 residues pruned to eliminate duplicates Z: 43 32.629 2.247 0.529 0.448 0.952 0.548 CB 1.622 43 residues pruned to eliminate duplicates Z: 61 41.957 2.314 0.555 0.498 0.917 0.567 CB 1.645 61 residues pruned to eliminate duplicates Z: 60 45.207 2.322 0.606 0.493 0.966 0.576 CB 1.645 60 residues pruned to eliminate duplicates Z: 42 29.654 2.268 0.427 0.456 0.927 0.537 CB 1.615 42 residues pruned to eliminate duplicates Z: 20 18.945 2.165 0.430 0.470 0.947 0.632 CA 1.527 20 residues pruned to eliminate duplicates Z: 17 21.288 2.158 0.864 0.473 0.875 0.500 CB 1.554 17 residues pruned to eliminate duplicates Z: 18 16.537 2.125 0.388 0.448 1.000 0.706 CB 1.434 18 residues pruned to eliminate duplicates Z: 60 47.622 2.297 0.669 0.508 0.949 0.576 CB 1.689 60 residues pruned to eliminate duplicates Z: 40 34.114 2.298 0.527 0.460 0.974 0.513 CB 1.663 40 residues pruned to eliminate duplicates Z: 17 21.771 2.278 0.473 0.467 1.000 0.688 CB 1.678 17 residues pruned to eliminate duplicates Z: 55 42.574 2.324 0.594 0.474 0.944 0.574 CB 1.700 55 residues pruned to eliminate duplicates Z: 20 16.588 2.117 0.418 0.351 0.895 0.579 CB 1.665 20 residues pruned to eliminate duplicates Z: 55 30.529 2.246 0.468 0.459 0.833 0.630 CB 1.576 55 residues pruned to eliminate duplicates Z: 60 41.633 2.285 0.576 0.513 0.915 0.627 CB 1.624 60 residues pruned to eliminate duplicates Z: 60 45.741 2.324 0.623 0.516 0.932 0.593 CB 1.667 60 residues pruned to eliminate duplicates Z: 16 15.817 2.164 0.426 0.443 0.933 0.400 CB 1.503 16 residues pruned to eliminate duplicates Z: 18 17.772 2.164 0.417 0.376 0.941 0.471 CB 1.704 18 residues pruned to eliminate duplicates Z: 17 14.840 2.138 0.423 0.320 0.938 0.500 CA 1.586 17 residues pruned to eliminate duplicates Z: 18 17.238 2.159 0.367 0.404 0.941 0.647 CA 1.664 18 residues pruned to eliminate duplicates Z: 62 40.399 2.274 0.563 0.452 0.918 0.557 CB 1.665 62 residues pruned to eliminate duplicates Z: 71 32.857 2.198 0.631 0.414 0.886 0.486 CB 1.353 71 residues pruned to eliminate duplicates Z: 11 14.530 2.106 0.334 0.477 1.000 0.700 CB 1.673 11 residues pruned to eliminate duplicates Z: 10 11.782 2.123 0.522 0.481 0.778 0.667 CB 1.593 10 residues pruned to eliminate duplicates Z: 11 12.089 2.100 0.558 0.465 0.800 0.700 CB 1.514 11 residues pruned to eliminate duplicates Z: 12 13.968 1.962 0.916 0.487 0.909 0.545 CB 1.249 12 residues pruned to eliminate duplicates Z: 69 41.288 2.133 0.706 0.517 0.926 0.662 CB 1.460 69 residues pruned to eliminate duplicates Z: 19 15.345 2.068 0.599 0.422 0.944 0.444 CB 1.256 19 residues pruned to eliminate duplicates Z: 24 23.231 2.149 0.770 0.527 0.913 0.696 CB 1.358 24 residues pruned to eliminate duplicates Z: 6 5.900 1.647 0.522 0.378 1.000 0.600 CA 1.199 6 residues pruned to eliminate duplicates Z: 66 41.033 2.206 0.777 0.485 0.877 0.585 CB 1.504 66 residues pruned to eliminate duplicates Z: 13 14.109 2.212 0.673 0.528 0.917 0.583 CB 1.167 13 residues pruned to eliminate duplicates Z: 21 16.339 2.035 0.661 0.438 0.900 0.600 CB 1.280 21 residues pruned to eliminate duplicates Z: 42 27.699 2.035 0.595 0.521 0.951 0.634 CB 1.373 42 residues pruned to eliminate duplicates Z: 48 36.700 2.218 0.783 0.509 0.915 0.617 CB 1.467 48 residues pruned to eliminate duplicates Z: 43 27.611 2.056 0.662 0.498 0.905 0.548 CB 1.381 43 residues pruned to eliminate duplicates Z: 28 24.455 2.115 0.610 0.480 0.963 0.481 CB 1.463 28 residues pruned to eliminate duplicates Z: 43 26.559 1.972 0.752 0.457 0.905 0.571 CB 1.370 43 residues pruned to eliminate duplicates Z: 23 21.346 2.005 0.821 0.506 0.818 0.409 CB 1.515 23 residues pruned to eliminate duplicates Z: 14 10.793 2.097 0.437 0.593 0.769 0.462 CB 1.181 14 residues pruned to eliminate duplicates Z: 19 12.630 1.915 0.662 0.507 0.722 0.444 CB 1.286 19 residues pruned to eliminate duplicates Z: 28 24.515 2.099 0.766 0.458 0.926 0.481 CB 1.435 28 residues pruned to eliminate duplicates Z: 9 9.456 1.952 0.835 0.376 0.750 0.250 CB 1.420 9 residues pruned to eliminate duplicates Z: 31 21.280 1.999 0.593 0.444 0.967 0.467 CB 1.337 31 residues pruned to eliminate duplicates Z: 10 16.701 1.870 1.046 0.647 0.778 0.556 CA 1.631 10 residues pruned to eliminate duplicates Z: 8 13.017 1.834 0.507 0.748 1.000 0.857 CB 1.426 8 residues pruned to eliminate duplicates Z: 7 16.336 1.971 0.779 0.857 1.000 1.000 CB 1.402 7 residues pruned to eliminate duplicates Z: 8 14.438 1.937 0.730 0.709 0.857 0.857 CB 1.571 8 residues pruned to eliminate duplicates Z: 6 2.943 1.387 0.427 0.343 0.800 0.600 CB 0.986 6 residues pruned to eliminate duplicates Z: 10 13.621 1.632 0.700 0.658 1.000 0.778 CB 1.413 10 residues pruned to eliminate duplicates Z: 19 16.982 1.727 0.761 0.619 0.944 0.667 CB 1.246 19 residues pruned to eliminate duplicates Z: 7 4.143 1.363 0.447 0.302 1.000 0.500 O 1.070 7 residues pruned to eliminate duplicates Z: 35 17.899 2.014 0.593 0.375 0.824 0.382 CB 1.328 50 residues pruned to eliminate duplicates Z: 7 9.767 1.914 0.754 0.383 1.000 0.667 CB 1.345 7 residues pruned to eliminate duplicates Z: 19 20.525 2.155 0.997 0.533 0.944 0.667 CB 1.153 19 residues pruned to eliminate duplicates Z: 16 20.930 2.184 1.120 0.504 0.933 0.600 CB 1.246 16 residues pruned to eliminate duplicates Z: 17 19.218 2.173 0.951 0.499 0.938 0.688 CB 1.210 17 residues pruned to eliminate duplicates Z: 17 23.142 2.257 0.818 0.562 1.000 0.812 CB 1.328 17 residues pruned to eliminate duplicates Z: 13 7.995 1.782 0.385 0.509 0.750 0.667 CB 1.236 13 residues pruned to eliminate duplicates Z: 6 15.511 2.102 0.843 0.836 1.000 1.000 CB 1.340 Z: 6 11.455 2.080 0.498 0.856 1.000 1.000 CB 1.212 6 residues pruned to eliminate duplicates Z: 7 11.650 1.889 0.655 0.790 1.000 1.000 CB 1.180 7 residues pruned to eliminate duplicates Z: 16 12.508 1.866 0.490 0.402 0.933 0.533 CB 1.380 16 residues pruned to eliminate duplicates Z: 19 17.494 1.857 0.941 0.449 0.944 0.778 CB 1.276 19 residues pruned to eliminate duplicates Z: 14 16.849 1.945 0.793 0.474 0.923 0.692 CA 1.491 14 residues pruned to eliminate duplicates Z: 34 24.751 1.948 0.721 0.592 0.939 0.788 CB 1.253 34 residues pruned to eliminate duplicates Z: 31 18.943 1.957 0.651 0.501 0.867 0.567 CB 1.234 43 residues pruned to eliminate duplicates Z: 51 29.554 2.012 0.683 0.488 0.940 0.620 CB 1.329 51 residues pruned to eliminate duplicates Z: 25 24.136 1.860 0.788 0.538 1.000 0.750 CB 1.428 25 residues pruned to eliminate duplicates Z: 19 10.243 1.668 0.346 0.438 0.944 0.500 CB 1.214 19 residues pruned to eliminate duplicates Z: 26 24.398 1.867 0.887 0.540 0.960 0.760 CB 1.387 26 residues pruned to eliminate duplicates Z: 25 23.389 1.895 0.868 0.560 0.917 0.750 CB 1.388 25 residues pruned to eliminate duplicates Z: 24 22.907 1.930 0.761 0.582 0.913 0.783 CB 1.423 24 residues pruned to eliminate duplicates Z: 20 13.749 1.831 0.639 0.461 0.842 0.632 CB 1.299 20 residues pruned to eliminate duplicates 440 residues left after pruning, divided into chains as follows: A: 10 B: 6 C: 8 D: 24 E: 7 F: 10 G: 87 H: 211 I: 30 J: 47 CC for partial structure against native data = 38.52 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.451, Connect. = 0.704 for dens.mod. cycle 1 = 0.300, Contrast = 0.516, Connect. = 0.732 for dens.mod. cycle 2 = 0.300, Contrast = 0.619, Connect. = 0.769 for dens.mod. cycle 3 = 0.300, Contrast = 0.625, Connect. = 0.771 for dens.mod. cycle 4 = 0.300, Contrast = 0.634, Connect. = 0.774 for dens.mod. cycle 5 = 0.300, Contrast = 0.637, Connect. = 0.776 for dens.mod. cycle 6 = 0.300, Contrast = 0.641, Connect. = 0.779 for dens.mod. cycle 7 = 0.300, Contrast = 0.643, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.645, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.645, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3185 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 682 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 41 47.017 2.363 1.003 0.569 0.925 0.550 CB 1.589 B: 29 19.174 2.120 0.844 0.335 0.750 0.464 CB 1.479 29 residues pruned to eliminate duplicates C: 89 55.498 2.338 0.877 0.490 0.886 0.534 CB 1.536 D: 54 36.285 2.314 0.629 0.437 0.887 0.528 CB 1.591 E: 32 36.271 2.392 0.779 0.548 0.903 0.645 CB 1.618 28 residues pruned to eliminate duplicates F: 11 21.799 2.206 1.334 0.590 0.900 0.600 CB 1.366 G: 13 21.738 2.201 1.015 0.699 0.833 0.667 CB 1.416 13 residues pruned to eliminate duplicates H: 69 45.205 2.310 0.679 0.459 0.912 0.559 CB 1.616 54 residues pruned to eliminate duplicates I: 9 9.436 1.840 0.419 0.613 0.750 0.750 CB 1.530 J: 54 40.067 2.337 0.672 0.443 0.943 0.547 CB 1.583 54 residues pruned to eliminate duplicates K: 57 40.659 2.328 0.813 0.470 0.875 0.607 CB 1.516 44 residues pruned to eliminate duplicates L: 49 37.762 2.307 0.814 0.473 0.896 0.542 CB 1.494 49 residues pruned to eliminate duplicates M: 21 28.480 2.075 1.298 0.507 0.900 0.550 CB 1.475 15 residues pruned to eliminate duplicates N: 51 32.409 2.304 0.522 0.408 0.880 0.540 CB 1.635 51 residues pruned to eliminate duplicates O: 87 47.644 2.284 0.771 0.464 0.872 0.581 CB 1.512 87 residues pruned to eliminate duplicates P: 21 23.401 2.070 0.820 0.472 0.950 0.550 CB 1.504 Q: 57 45.063 2.301 0.923 0.529 0.857 0.589 CB 1.543 57 residues pruned to eliminate duplicates R: 56 40.947 2.270 0.642 0.426 0.945 0.564 CB 1.691 56 residues pruned to eliminate duplicates S: 22 26.745 2.012 0.927 0.555 1.000 0.667 CB 1.428 21 residues pruned to eliminate duplicates T: 22 18.055 1.976 0.717 0.455 0.905 0.619 CB 1.344 21 residues pruned to eliminate duplicates U: 15 15.724 2.052 0.570 0.494 0.857 0.429 CA 1.530 15 residues pruned to eliminate duplicates V: 10 10.385 2.016 0.828 0.610 0.778 0.556 CA 1.088 10 residues pruned to eliminate duplicates W: 51 40.004 2.337 0.812 0.471 0.900 0.480 CB 1.528 51 residues pruned to eliminate duplicates X: 72 46.301 2.298 0.881 0.477 0.803 0.521 CB 1.621 72 residues pruned to eliminate duplicates Y: 49 30.058 2.304 0.598 0.488 0.792 0.625 CB 1.507 49 residues pruned to eliminate duplicates Z: 49 43.973 2.308 0.931 0.505 0.896 0.604 CB 1.582 49 residues pruned to eliminate duplicates Z: 31 29.897 2.124 0.745 0.565 0.933 0.667 CB 1.481 Z: 8 15.788 2.195 0.569 0.545 1.000 0.571 CA 1.658 8 residues pruned to eliminate duplicates Z: 56 49.770 2.379 0.865 0.554 0.891 0.582 CB 1.612 56 residues pruned to eliminate duplicates Z: 10 14.548 1.929 0.457 0.876 0.778 0.556 CA 1.612 Z: 76 56.463 2.323 0.828 0.497 0.933 0.600 CB 1.650 69 residues pruned to eliminate duplicates Z: 20 12.645 2.199 0.211 0.430 0.737 0.474 CB 1.590 20 residues pruned to eliminate duplicates Z: 59 42.837 2.299 0.848 0.483 0.845 0.500 CB 1.595 59 residues pruned to eliminate duplicates Z: 19 24.153 2.169 0.755 0.544 0.944 0.611 CB 1.516 19 residues pruned to eliminate duplicates Z: 24 26.184 2.054 0.777 0.595 0.870 0.739 CB 1.571 9 residues pruned to eliminate duplicates Z: 29 20.521 2.108 0.752 0.468 0.857 0.571 CB 1.265 20 residues pruned to eliminate duplicates Z: 11 13.470 2.362 0.436 0.448 0.800 0.400 CA 1.655 11 residues pruned to eliminate duplicates Z: 44 42.933 2.343 0.893 0.514 0.884 0.512 CB 1.647 44 residues pruned to eliminate duplicates Z: 7 6.282 2.069 0.352 0.526 0.833 0.333 CB 1.072 7 residues pruned to eliminate duplicates Z: 71 40.916 2.238 0.856 0.483 0.857 0.629 CB 1.398 70 residues pruned to eliminate duplicates Z: 10 18.990 2.129 0.733 0.782 0.778 0.667 CA 1.721 9 residues pruned to eliminate duplicates Z: 24 23.989 2.087 0.729 0.552 0.913 0.565 CB 1.444 Z: 23 27.902 2.094 0.833 0.594 0.909 0.682 CB 1.557 24 residues pruned to eliminate duplicates Z: 11 19.503 1.964 0.962 0.716 0.800 0.700 CA 1.645 11 residues pruned to eliminate duplicates Z: 75 46.943 2.183 0.661 0.526 0.946 0.568 CB 1.551 61 residues pruned to eliminate duplicates Z: 51 31.830 2.260 0.592 0.439 0.860 0.520 CB 1.550 51 residues pruned to eliminate duplicates Z: 6 9.970 2.132 0.320 0.734 1.000 0.600 CB 1.285 6 residues pruned to eliminate duplicates Z: 87 49.631 2.296 0.884 0.470 0.849 0.547 CB 1.503 87 residues pruned to eliminate duplicates Z: 29 14.571 2.154 0.388 0.306 0.786 0.500 CB 1.454 29 residues pruned to eliminate duplicates Z: 36 23.216 2.275 0.454 0.419 0.857 0.486 CB 1.507 36 residues pruned to eliminate duplicates Z: 10 8.222 1.634 0.659 0.567 0.889 0.667 CA 1.066 Z: 14 19.517 2.116 0.999 0.633 0.846 0.538 CB 1.335 14 residues pruned to eliminate duplicates Z: 66 35.353 2.245 0.835 0.415 0.800 0.554 CB 1.454 66 residues pruned to eliminate duplicates Z: 14 9.037 1.738 0.609 0.411 0.769 0.385 CB 1.279 11 residues pruned to eliminate duplicates Z: 35 33.613 2.243 0.880 0.551 0.882 0.618 CB 1.474 35 residues pruned to eliminate duplicates Z: 23 22.437 2.233 0.811 0.478 0.818 0.636 CB 1.479 25 residues pruned to eliminate duplicates Z: 41 34.576 2.281 0.630 0.454 0.925 0.525 CB 1.667 41 residues pruned to eliminate duplicates Z: 64 39.573 2.332 0.746 0.454 0.841 0.619 CB 1.526 64 residues pruned to eliminate duplicates Z: 82 50.148 2.294 0.624 0.495 0.951 0.617 CB 1.581 82 residues pruned to eliminate duplicates Z: 26 32.970 2.372 0.945 0.594 0.800 0.720 CB 1.633 26 residues pruned to eliminate duplicates Z: 85 52.241 2.290 0.774 0.519 0.881 0.536 CB 1.563 113 residues pruned to eliminate duplicates Z: 25 24.071 1.921 0.873 0.549 0.875 0.625 CA 1.488 15 residues pruned to eliminate duplicates Z: 69 47.232 2.270 0.780 0.487 0.882 0.618 CB 1.628 69 residues pruned to eliminate duplicates Z: 28 23.172 2.225 0.677 0.455 0.852 0.593 CB 1.469 28 residues pruned to eliminate duplicates Z: 34 19.444 2.161 0.476 0.342 0.818 0.606 CA 1.541 34 residues pruned to eliminate duplicates Z: 36 21.689 2.040 0.715 0.439 0.886 0.657 CB 1.260 10 residues pruned to eliminate duplicates Z: 21 17.387 2.249 0.408 0.418 0.900 0.650 CB 1.485 21 residues pruned to eliminate duplicates Z: 23 21.141 2.010 0.800 0.501 0.909 0.545 CB 1.369 23 residues pruned to eliminate duplicates Z: 56 46.768 2.304 0.956 0.548 0.891 0.636 CB 1.498 56 residues pruned to eliminate duplicates Z: 11 18.238 2.115 1.330 0.620 0.900 0.800 CB 1.161 11 residues pruned to eliminate duplicates Z: 23 26.226 2.098 0.718 0.590 0.909 0.682 CB 1.566 23 residues pruned to eliminate duplicates Z: 72 44.109 2.250 0.569 0.473 0.930 0.592 CB 1.639 72 residues pruned to eliminate duplicates Z: 54 42.653 2.317 0.933 0.465 0.887 0.585 CB 1.529 54 residues pruned to eliminate duplicates Z: 44 25.303 2.070 0.592 0.506 0.837 0.698 CB 1.390 15 residues pruned to eliminate duplicates Z: 21 18.430 2.100 0.757 0.437 0.800 0.500 CB 1.489 21 residues pruned to eliminate duplicates Z: 39 30.678 2.275 0.521 0.464 0.921 0.553 CB 1.619 39 residues pruned to eliminate duplicates Z: 51 42.180 2.346 0.979 0.469 0.860 0.600 CB 1.542 51 residues pruned to eliminate duplicates Z: 6 7.935 2.117 0.071 0.767 1.000 1.000 CB 1.235 6 residues pruned to eliminate duplicates Z: 56 38.372 2.243 0.648 0.475 0.927 0.582 CB 1.549 56 residues pruned to eliminate duplicates Z: 23 27.228 2.077 0.719 0.611 0.909 0.773 CB 1.609 23 residues pruned to eliminate duplicates Z: 65 42.256 2.328 0.847 0.456 0.875 0.562 CB 1.468 65 residues pruned to eliminate duplicates Z: 72 48.283 2.281 0.816 0.498 0.859 0.549 CB 1.613 72 residues pruned to eliminate duplicates Z: 16 16.143 2.163 0.566 0.445 0.933 0.667 CB 1.394 16 residues pruned to eliminate duplicates Z: 53 46.267 2.260 0.821 0.545 0.923 0.615 CB 1.617 53 residues pruned to eliminate duplicates Z: 19 21.236 2.210 0.780 0.427 0.833 0.556 CB 1.648 18 residues pruned to eliminate duplicates Z: 22 19.693 2.025 1.228 0.432 0.810 0.476 CB 1.263 22 residues pruned to eliminate duplicates Z: 44 39.831 2.341 0.867 0.519 0.907 0.512 CB 1.504 44 residues pruned to eliminate duplicates Z: 115 55.590 2.291 0.689 0.486 0.860 0.561 CB 1.588 115 residues pruned to eliminate duplicates Z: 37 23.422 1.939 0.673 0.467 0.917 0.639 CB 1.358 37 residues pruned to eliminate duplicates Z: 12 19.127 2.088 0.832 0.461 1.000 0.727 CB 1.569 12 residues pruned to eliminate duplicates Z: 66 43.930 2.332 0.878 0.465 0.862 0.615 CB 1.496 66 residues pruned to eliminate duplicates Z: 8 14.556 1.952 1.314 0.514 1.000 0.714 CA 1.201 6 residues pruned to eliminate duplicates Z: 18 21.694 2.282 0.730 0.472 0.824 0.471 CB 1.665 18 residues pruned to eliminate duplicates Z: 27 27.180 2.166 0.899 0.548 0.769 0.615 CB 1.607 27 residues pruned to eliminate duplicates Z: 7 19.207 2.320 0.839 0.565 1.000 0.667 CA 1.727 7 residues pruned to eliminate duplicates Z: 33 26.067 2.105 0.809 0.522 0.906 0.562 CB 1.307 35 residues pruned to eliminate duplicates Z: 55 37.878 2.319 0.519 0.433 0.963 0.611 CB 1.629 55 residues pruned to eliminate duplicates Z: 46 31.485 2.024 0.623 0.508 0.911 0.600 CB 1.555 46 residues pruned to eliminate duplicates Z: 13 14.522 2.020 0.591 0.461 1.000 0.583 CB 1.358 13 residues pruned to eliminate duplicates Z: 17 29.277 2.264 0.944 0.634 0.875 0.750 CB 1.676 17 residues pruned to eliminate duplicates Z: 12 13.484 2.036 1.022 0.554 0.727 0.545 CB 1.289 Z: 24 20.514 2.076 0.520 0.562 0.913 0.609 CB 1.398 24 residues pruned to eliminate duplicates Z: 20 22.959 2.182 0.924 0.517 0.947 0.684 CB 1.302 20 residues pruned to eliminate duplicates Z: 20 16.283 2.130 0.976 0.390 0.842 0.421 CB 1.184 20 residues pruned to eliminate duplicates Z: 9 9.048 1.784 0.575 0.510 1.000 0.625 CB 1.127 7 residues pruned to eliminate duplicates Z: 11 18.247 2.050 0.631 0.866 0.800 0.500 CA 1.580 11 residues pruned to eliminate duplicates Z: 15 13.341 1.744 0.865 0.523 0.857 0.429 CB 1.250 15 residues pruned to eliminate duplicates Z: 17 13.563 2.054 0.520 0.465 0.938 0.750 CB 1.201 17 residues pruned to eliminate duplicates Z: 69 53.552 2.211 1.031 0.558 0.897 0.676 CB 1.523 69 residues pruned to eliminate duplicates Z: 68 47.265 2.266 0.744 0.553 0.896 0.687 CB 1.549 68 residues pruned to eliminate duplicates Z: 10 12.347 1.717 0.921 0.642 0.889 0.778 CB 1.229 10 residues pruned to eliminate duplicates Z: 81 51.544 2.256 0.804 0.508 0.913 0.550 CB 1.539 81 residues pruned to eliminate duplicates Z: 71 43.140 2.236 0.751 0.511 0.814 0.543 CB 1.600 83 residues pruned to eliminate duplicates Z: 7 6.931 1.846 0.344 0.708 1.000 0.333 CB 0.944 7 residues pruned to eliminate duplicates Z: 66 46.392 2.342 0.909 0.466 0.892 0.523 CB 1.494 65 residues pruned to eliminate duplicates Z: 20 22.245 2.044 0.860 0.574 0.895 0.632 CB 1.397 20 residues pruned to eliminate duplicates Z: 25 22.148 2.123 0.509 0.550 0.917 0.583 CB 1.467 25 residues pruned to eliminate duplicates Z: 56 42.822 2.329 0.937 0.508 0.891 0.618 CB 1.425 56 residues pruned to eliminate duplicates Z: 42 37.935 2.338 0.711 0.559 0.902 0.585 CB 1.550 42 residues pruned to eliminate duplicates Z: 69 51.031 2.339 0.870 0.486 0.897 0.544 CB 1.600 69 residues pruned to eliminate duplicates Z: 58 48.355 2.390 0.889 0.498 0.895 0.561 CB 1.589 58 residues pruned to eliminate duplicates Z: 22 13.172 2.153 0.335 0.370 0.857 0.476 CB 1.341 22 residues pruned to eliminate duplicates Z: 26 21.893 1.982 0.739 0.512 0.920 0.600 CB 1.365 19 residues pruned to eliminate duplicates Z: 10 8.789 1.737 0.624 0.606 0.667 0.667 C 1.408 9 residues pruned to eliminate duplicates Z: 91 49.658 2.279 0.737 0.499 0.856 0.544 CB 1.548 91 residues pruned to eliminate duplicates Z: 42 35.040 2.065 0.735 0.579 0.902 0.683 CB 1.568 42 residues pruned to eliminate duplicates Z: 9 24.224 2.186 0.788 0.895 0.875 0.750 CA 1.795 10 residues pruned to eliminate duplicates Z: 40 33.118 2.301 0.475 0.496 0.949 0.641 CB 1.653 40 residues pruned to eliminate duplicates Z: 40 27.397 2.023 0.769 0.541 0.897 0.590 CB 1.311 40 residues pruned to eliminate duplicates Z: 19 27.411 2.134 0.866 0.587 0.944 0.667 CB 1.580 19 residues pruned to eliminate duplicates Z: 10 15.284 2.112 0.755 0.799 0.667 0.556 CA 1.587 10 residues pruned to eliminate duplicates Z: 43 25.918 2.012 0.605 0.519 0.881 0.667 CB 1.380 43 residues pruned to eliminate duplicates Z: 50 34.830 2.185 0.794 0.478 0.878 0.551 CB 1.479 50 residues pruned to eliminate duplicates Z: 11 14.740 2.032 0.483 0.789 0.800 0.600 CA 1.500 11 residues pruned to eliminate duplicates Z: 61 34.304 2.104 0.730 0.472 0.883 0.583 CB 1.417 60 residues pruned to eliminate duplicates Z: 10 14.829 2.019 1.060 0.686 0.778 0.667 CB 1.289 10 residues pruned to eliminate duplicates Z: 65 47.619 2.363 0.949 0.491 0.859 0.609 CB 1.518 65 residues pruned to eliminate duplicates Z: 77 45.960 2.295 0.776 0.486 0.842 0.553 CB 1.558 77 residues pruned to eliminate duplicates Z: 23 14.949 2.003 0.440 0.436 0.818 0.591 CB 1.443 23 residues pruned to eliminate duplicates Z: 16 16.993 2.115 0.791 0.413 0.867 0.600 CB 1.464 16 residues pruned to eliminate duplicates Z: 54 43.809 2.343 0.808 0.527 0.868 0.547 CB 1.594 54 residues pruned to eliminate duplicates Z: 6 12.028 2.211 0.209 0.658 1.000 0.800 CA 1.737 6 residues pruned to eliminate duplicates Z: 43 31.987 2.257 0.487 0.460 1.000 0.595 CB 1.532 43 residues pruned to eliminate duplicates Z: 9 24.619 2.150 1.059 0.784 0.875 0.625 N 1.749 9 residues pruned to eliminate duplicates Z: 20 24.007 2.190 0.971 0.531 0.947 0.737 CB 1.307 20 residues pruned to eliminate duplicates Z: 28 14.513 1.913 0.391 0.507 0.852 0.593 CB 1.223 28 residues pruned to eliminate duplicates Z: 8 9.801 1.802 0.752 0.648 0.857 0.714 CB 1.192 8 residues pruned to eliminate duplicates Z: 78 43.993 2.256 0.695 0.478 0.896 0.623 CB 1.495 78 residues pruned to eliminate duplicates Z: 73 46.302 2.367 0.720 0.482 0.847 0.556 CB 1.610 73 residues pruned to eliminate duplicates Z: 12 18.743 1.898 0.697 0.820 0.909 0.636 CA 1.462 12 residues pruned to eliminate duplicates Z: 19 18.974 2.170 0.561 0.526 1.000 0.667 CB 1.286 19 residues pruned to eliminate duplicates Z: 19 15.547 2.012 0.388 0.377 0.889 0.611 CB 1.684 19 residues pruned to eliminate duplicates Z: 60 36.465 2.205 0.672 0.458 0.898 0.492 CB 1.496 60 residues pruned to eliminate duplicates Z: 14 20.425 1.984 0.723 0.638 1.000 0.769 CB 1.457 Z: 8 10.063 1.901 0.499 0.611 0.857 0.571 CB 1.402 Z: 16 14.093 1.993 1.052 0.416 0.733 0.467 CB 1.324 16 residues pruned to eliminate duplicates Z: 11 6.174 1.676 0.444 0.425 0.700 0.500 CB 1.246 9 residues pruned to eliminate duplicates Z: 56 45.308 2.332 0.898 0.533 0.855 0.564 CB 1.563 56 residues pruned to eliminate duplicates Z: 29 20.107 2.105 0.748 0.447 0.893 0.536 CB 1.221 29 residues pruned to eliminate duplicates Z: 15 10.042 2.032 0.585 0.393 0.714 0.500 CA 1.306 15 residues pruned to eliminate duplicates Z: 69 39.182 2.232 0.580 0.455 0.897 0.456 CB 1.573 69 residues pruned to eliminate duplicates Z: 17 13.296 2.182 0.290 0.301 0.938 0.500 CB 1.573 17 residues pruned to eliminate duplicates Z: 24 24.820 1.979 0.803 0.549 0.826 0.739 CB 1.674 24 residues pruned to eliminate duplicates Z: 28 22.412 2.147 0.566 0.448 0.889 0.593 CB 1.523 28 residues pruned to eliminate duplicates Z: 11 17.824 2.051 1.425 0.625 0.800 0.700 CB 1.259 11 residues pruned to eliminate duplicates Z: 59 36.806 2.310 0.832 0.443 0.845 0.603 CB 1.433 59 residues pruned to eliminate duplicates Z: 18 12.539 2.010 0.437 0.579 0.882 0.588 CB 1.106 18 residues pruned to eliminate duplicates Z: 35 36.779 2.308 0.958 0.452 0.853 0.618 CB 1.719 35 residues pruned to eliminate duplicates Z: 77 44.803 2.331 0.747 0.482 0.842 0.526 CB 1.527 77 residues pruned to eliminate duplicates Z: 25 26.732 1.950 0.821 0.604 0.917 0.750 CB 1.519 25 residues pruned to eliminate duplicates Z: 9 8.381 2.024 0.704 0.500 0.625 0.625 CB 1.375 9 residues pruned to eliminate duplicates Z: 10 14.610 2.021 0.978 0.560 0.778 0.556 CB 1.477 10 residues pruned to eliminate duplicates Z: 12 9.016 1.728 0.667 0.493 0.818 0.545 CB 1.162 Z: 41 35.169 2.277 0.527 0.474 1.000 0.625 CB 1.643 41 residues pruned to eliminate duplicates Z: 76 45.878 2.182 0.686 0.497 0.947 0.600 CB 1.525 90 residues pruned to eliminate duplicates Z: 14 14.924 1.917 0.896 0.402 0.846 0.462 CA 1.493 14 residues pruned to eliminate duplicates Z: 8 6.682 1.519 0.479 0.539 1.000 0.571 CB 1.082 Z: 20 11.044 2.080 0.454 0.376 0.789 0.474 CB 1.212 20 residues pruned to eliminate duplicates Z: 40 33.471 2.244 0.607 0.471 0.974 0.462 CB 1.571 40 residues pruned to eliminate duplicates Z: 32 39.165 2.319 0.987 0.551 0.903 0.613 CB 1.608 32 residues pruned to eliminate duplicates Z: 23 28.050 2.042 0.727 0.641 0.955 0.682 CB 1.557 23 residues pruned to eliminate duplicates Z: 11 28.297 2.131 1.043 0.866 0.900 0.600 CA 1.672 10 residues pruned to eliminate duplicates Z: 53 52.173 2.356 0.953 0.501 0.885 0.519 CB 1.775 53 residues pruned to eliminate duplicates Z: 21 25.393 2.082 1.100 0.516 0.900 0.550 CB 1.421 21 residues pruned to eliminate duplicates Z: 77 52.755 2.278 0.719 0.512 0.934 0.566 CB 1.634 77 residues pruned to eliminate duplicates Z: 51 32.607 1.997 0.632 0.524 0.980 0.660 CB 1.409 51 residues pruned to eliminate duplicates Z: 6 7.347 1.955 0.423 0.490 0.800 0.800 O 1.491 6 residues pruned to eliminate duplicates Z: 57 46.879 2.306 0.985 0.545 0.893 0.571 CB 1.466 57 residues pruned to eliminate duplicates Z: 29 19.982 2.030 0.769 0.535 0.857 0.643 CB 1.186 29 residues pruned to eliminate duplicates Z: 68 40.162 2.304 0.715 0.457 0.836 0.552 CB 1.552 68 residues pruned to eliminate duplicates Z: 26 25.485 2.171 0.643 0.558 0.880 0.680 CB 1.534 26 residues pruned to eliminate duplicates Z: 63 41.624 2.235 0.749 0.478 0.871 0.581 CB 1.588 63 residues pruned to eliminate duplicates Z: 38 33.692 2.282 0.677 0.451 0.973 0.622 CB 1.564 38 residues pruned to eliminate duplicates Z: 8 8.964 1.862 0.440 0.629 1.000 0.714 CB 1.119 8 residues pruned to eliminate duplicates Z: 23 20.951 2.231 0.567 0.407 0.955 0.545 CB 1.476 23 residues pruned to eliminate duplicates Z: 91 52.067 2.222 0.684 0.511 0.922 0.611 CB 1.573 91 residues pruned to eliminate duplicates Z: 51 30.977 2.219 0.721 0.447 0.860 0.600 CB 1.409 51 residues pruned to eliminate duplicates 6 1.993 1.431 0.058 0.685 1.000 0.400 CA 0.497 ? Z: 17 15.853 2.086 0.565 0.515 0.750 0.500 CB 1.594 17 residues pruned to eliminate duplicates Z: 18 19.882 2.157 0.623 0.475 0.941 0.588 CB 1.500 18 residues pruned to eliminate duplicates Z: 10 23.174 2.143 0.770 0.894 0.889 0.556 CA 1.643 10 residues pruned to eliminate duplicates Z: 12 7.215 1.806 0.087 0.515 0.818 0.727 N 1.335 Z: 12 12.763 1.899 0.718 0.368 1.000 0.455 CB 1.359 12 residues pruned to eliminate duplicates Z: 18 14.351 2.092 0.540 0.409 0.882 0.706 CB 1.347 18 residues pruned to eliminate duplicates Z: 22 27.404 1.953 1.134 0.614 0.905 0.667 CB 1.423 Z: 24 14.035 1.897 0.616 0.435 0.826 0.478 CB 1.237 21 residues pruned to eliminate duplicates Z: 6 4.770 1.490 0.830 0.582 0.800 0.800 CB 0.904 5 residues pruned to eliminate duplicates Z: 18 12.133 2.129 0.458 0.353 0.882 0.529 CB 1.260 18 residues pruned to eliminate duplicates Z: 48 28.112 2.236 0.400 0.427 0.894 0.532 CB 1.581 48 residues pruned to eliminate duplicates Z: 15 15.685 2.231 0.214 0.552 0.929 0.714 CB 1.586 15 residues pruned to eliminate duplicates Z: 60 41.241 2.280 0.661 0.506 0.881 0.610 CB 1.600 60 residues pruned to eliminate duplicates Z: 11 6.401 1.705 0.335 0.508 0.900 0.600 CB 0.980 11 residues pruned to eliminate duplicates Z: 58 46.442 2.369 0.841 0.520 0.825 0.579 CB 1.677 58 residues pruned to eliminate duplicates Z: 20 18.668 2.167 0.826 0.475 0.895 0.579 CB 1.241 20 residues pruned to eliminate duplicates Z: 23 29.001 2.085 0.707 0.594 1.000 0.727 CB 1.587 24 residues pruned to eliminate duplicates Z: 29 18.806 1.996 0.564 0.417 0.857 0.607 CB 1.448 29 residues pruned to eliminate duplicates Z: 8 14.332 1.868 0.662 0.844 1.000 1.000 CB 1.298 Z: 10 6.666 1.865 0.415 0.286 0.667 0.222 CA 1.606 10 residues pruned to eliminate duplicates Z: 20 24.191 2.088 1.081 0.459 0.842 0.737 CB 1.582 20 residues pruned to eliminate duplicates Z: 38 37.952 2.325 0.814 0.550 0.865 0.595 CB 1.630 38 residues pruned to eliminate duplicates Z: 25 21.033 2.118 0.444 0.449 0.917 0.708 CB 1.615 25 residues pruned to eliminate duplicates Z: 35 26.491 1.988 0.799 0.563 0.912 0.706 CB 1.311 35 residues pruned to eliminate duplicates Z: 13 24.899 2.184 1.042 0.700 0.917 0.750 CB 1.465 13 residues pruned to eliminate duplicates Z: 19 11.918 1.848 0.658 0.449 0.722 0.444 CB 1.337 19 residues pruned to eliminate duplicates Z: 61 35.856 2.122 0.733 0.474 0.933 0.583 CB 1.385 61 residues pruned to eliminate duplicates Z: 17 15.528 2.258 0.740 0.423 0.812 0.438 CB 1.317 17 residues pruned to eliminate duplicates Z: 8 4.998 1.504 0.912 0.210 0.714 0.429 C 1.296 8 residues pruned to eliminate duplicates Z: 10 16.295 2.038 0.873 0.725 0.889 0.778 CB 1.307 10 residues pruned to eliminate duplicates Z: 65 54.537 2.360 0.960 0.560 0.891 0.594 CB 1.561 87 residues pruned to eliminate duplicates Z: 17 16.726 1.995 0.561 0.519 1.000 0.625 CB 1.318 17 residues pruned to eliminate duplicates Z: 9 4.238 1.526 -0.121 0.518 1.000 0.625 CB 1.098 Z: 50 44.062 2.333 0.951 0.519 0.939 0.612 CB 1.445 50 residues pruned to eliminate duplicates Z: 36 21.296 1.957 0.458 0.491 0.943 0.629 CB 1.349 36 residues pruned to eliminate duplicates Z: 12 10.671 1.891 0.620 0.469 0.818 0.636 CB 1.325 8 residues pruned to eliminate duplicates Z: 76 50.528 2.333 0.658 0.495 0.920 0.533 CB 1.647 76 residues pruned to eliminate duplicates Z: 22 30.977 2.107 0.767 0.617 1.000 0.762 CB 1.626 22 residues pruned to eliminate duplicates Z: 11 23.701 2.257 0.647 0.702 0.900 0.800 CA 1.863 11 residues pruned to eliminate duplicates Z: 6 4.483 1.825 -0.328 0.831 1.000 0.600 CB 1.229 6 residues pruned to eliminate duplicates Z: 22 28.687 2.007 0.826 0.662 0.905 0.810 CB 1.624 21 residues pruned to eliminate duplicates Z: 10 3.076 1.599 0.041 0.344 0.778 0.333 CB 0.938 Z: 26 25.460 2.174 0.526 0.557 0.920 0.720 CB 1.578 26 residues pruned to eliminate duplicates Z: 22 25.066 2.085 0.545 0.598 0.952 0.667 CB 1.624 22 residues pruned to eliminate duplicates Z: 122 59.782 2.292 0.693 0.477 0.893 0.579 CB 1.606 122 residues pruned to eliminate duplicates Z: 41 32.294 2.092 0.767 0.555 0.925 0.575 CB 1.415 41 residues pruned to eliminate duplicates Z: 26 26.889 2.146 0.630 0.605 0.880 0.720 CB 1.581 26 residues pruned to eliminate duplicates Z: 20 27.405 2.111 1.248 0.640 0.947 0.789 CB 1.227 20 residues pruned to eliminate duplicates Z: 15 16.519 1.832 0.638 0.558 1.000 0.714 CB 1.390 15 residues pruned to eliminate duplicates Z: 6 6.219 1.906 -0.226 0.740 1.000 0.600 CB 1.520 Z: 8 8.146 1.772 0.293 0.641 0.857 0.714 CB 1.374 8 residues pruned to eliminate duplicates Z: 20 13.789 1.862 0.893 0.407 0.842 0.526 CB 1.175 Z: 84 48.266 2.183 0.823 0.500 0.880 0.566 CB 1.514 84 residues pruned to eliminate duplicates Z: 13 10.379 1.912 0.831 0.371 0.667 0.583 CB 1.473 13 residues pruned to eliminate duplicates Z: 17 15.273 1.722 0.653 0.683 0.938 0.750 CB 1.209 21 residues pruned to eliminate duplicates Z: 8 5.594 1.466 0.695 0.414 0.714 0.571 CB 1.304 8 residues pruned to eliminate duplicates Z: 23 25.661 2.075 0.641 0.575 0.955 0.727 CB 1.566 23 residues pruned to eliminate duplicates Z: 18 14.428 1.920 0.271 0.537 0.941 0.529 CB 1.470 18 residues pruned to eliminate duplicates Z: 19 11.474 2.021 0.646 0.387 0.722 0.500 CB 1.269 19 residues pruned to eliminate duplicates Z: 38 25.041 1.885 0.640 0.514 0.946 0.595 CB 1.387 38 residues pruned to eliminate duplicates Z: 6 4.922 1.676 0.120 0.781 1.000 0.600 CB 0.916 6 residues pruned to eliminate duplicates Z: 11 14.973 1.845 0.529 0.622 1.000 0.700 CB 1.496 11 residues pruned to eliminate duplicates Z: 10 10.822 2.008 0.511 0.558 0.889 0.667 CB 1.263 12 residues pruned to eliminate duplicates Z: 33 18.134 1.854 0.506 0.470 0.844 0.562 CA 1.403 33 residues pruned to eliminate duplicates Z: 22 14.338 1.652 0.576 0.638 0.952 0.857 CB 1.109 19 residues pruned to eliminate duplicates Z: 9 2.960 1.411 0.060 0.247 0.750 0.250 C 1.249 9 residues pruned to eliminate duplicates Z: 7 14.642 1.925 0.774 0.820 1.000 1.000 CB 1.326 7 residues pruned to eliminate duplicates Z: 30 23.635 2.064 0.675 0.534 0.862 0.621 CB 1.425 30 residues pruned to eliminate duplicates Z: 17 21.049 1.807 0.722 0.671 0.938 0.688 CB 1.540 9 residues pruned to eliminate duplicates Z: 14 15.741 1.863 0.731 0.530 0.923 0.538 CB 1.423 16 residues pruned to eliminate duplicates Z: 11 7.578 1.826 0.583 0.568 0.800 0.700 CB 0.970 15 residues pruned to eliminate duplicates Z: 13 13.355 2.233 0.528 0.598 0.750 0.417 CB 1.372 13 residues pruned to eliminate duplicates Z: 57 46.090 2.376 0.725 0.524 0.875 0.500 CB 1.677 57 residues pruned to eliminate duplicates Z: 38 32.335 2.310 0.548 0.424 0.946 0.595 CB 1.701 38 residues pruned to eliminate duplicates Z: 19 17.115 2.116 0.672 0.525 0.833 0.556 CB 1.335 19 residues pruned to eliminate duplicates Z: 21 20.526 2.162 0.609 0.492 0.850 0.500 CB 1.565 21 residues pruned to eliminate duplicates Z: 24 18.201 2.302 0.656 0.435 0.826 0.565 CB 1.289 24 residues pruned to eliminate duplicates Z: 27 17.795 2.102 0.618 0.439 0.846 0.538 CB 1.291 27 residues pruned to eliminate duplicates Z: 26 16.827 1.927 0.810 0.407 0.800 0.560 CB 1.330 26 residues pruned to eliminate duplicates Z: 17 22.363 2.170 0.608 0.607 1.000 0.625 CB 1.448 17 residues pruned to eliminate duplicates Z: 12 7.139 2.027 0.216 0.498 0.818 0.545 CB 1.069 12 residues pruned to eliminate duplicates Z: 49 26.958 2.047 0.502 0.508 0.896 0.667 CB 1.401 49 residues pruned to eliminate duplicates Z: 10 15.139 1.948 0.684 0.869 1.000 0.778 CB 1.124 Z: 79 44.590 2.262 0.667 0.471 0.923 0.615 CB 1.494 79 residues pruned to eliminate duplicates Z: 9 7.176 1.760 0.538 0.621 0.750 0.750 CB 1.115 9 residues pruned to eliminate duplicates Z: 27 15.843 1.921 0.735 0.403 0.769 0.538 CB 1.342 27 residues pruned to eliminate duplicates Z: 12 9.204 2.117 0.754 0.358 0.727 0.636 CB 1.198 12 residues pruned to eliminate duplicates Z: 25 23.371 1.843 0.787 0.577 0.958 0.750 CB 1.403 25 residues pruned to eliminate duplicates Z: 12 9.704 1.702 0.708 0.669 0.909 0.727 CB 0.947 11 residues pruned to eliminate duplicates Z: 8 10.816 1.837 0.724 0.737 0.857 0.857 CB 1.217 8 residues pruned to eliminate duplicates Z: 7 5.875 1.745 0.229 0.475 1.000 0.500 CB 1.147 7 residues pruned to eliminate duplicates Z: 9 9.919 1.787 0.806 0.544 0.750 0.500 C 1.388 9 residues pruned to eliminate duplicates Z: 14 11.430 1.730 0.497 0.436 0.923 0.615 CB 1.417 14 residues pruned to eliminate duplicates Z: 6 6.293 1.696 0.696 0.627 0.800 0.800 CB 1.085 6 residues pruned to eliminate duplicates Z: 14 11.863 1.842 0.721 0.488 0.769 0.769 CB 1.365 14 residues pruned to eliminate duplicates Z: 35 30.179 2.246 0.634 0.479 0.941 0.588 CB 1.530 35 residues pruned to eliminate duplicates Z: 68 41.942 2.275 0.764 0.499 0.866 0.612 CB 1.478 68 residues pruned to eliminate duplicates Z: 58 40.885 2.318 0.869 0.494 0.860 0.579 CB 1.463 58 residues pruned to eliminate duplicates Z: 26 14.659 1.946 0.511 0.277 0.840 0.360 CB 1.527 26 residues pruned to eliminate duplicates Z: 23 20.844 1.941 0.781 0.630 0.909 0.591 CB 1.250 19 residues pruned to eliminate duplicates Z: 24 22.572 2.050 0.558 0.554 0.913 0.696 CB 1.532 24 residues pruned to eliminate duplicates Z: 11 20.753 1.927 1.172 0.668 0.900 0.700 CB 1.492 14 residues pruned to eliminate duplicates Z: 22 17.753 1.998 1.162 0.448 0.762 0.524 CB 1.242 22 residues pruned to eliminate duplicates Z: 29 22.329 2.006 0.914 0.538 0.857 0.786 CB 1.235 29 residues pruned to eliminate duplicates Z: 40 46.967 2.403 0.901 0.587 0.949 0.615 CB 1.596 40 residues pruned to eliminate duplicates Z: 52 42.043 2.338 0.758 0.495 0.902 0.412 CB 1.596 52 residues pruned to eliminate duplicates Z: 15 14.759 2.133 0.612 0.462 0.929 0.500 CB 1.284 15 residues pruned to eliminate duplicates Z: 19 24.827 2.206 0.706 0.573 1.000 0.722 CB 1.449 20 residues pruned to eliminate duplicates Z: 24 24.270 1.991 0.798 0.552 0.870 0.652 CB 1.545 24 residues pruned to eliminate duplicates Z: 18 18.871 2.123 0.440 0.528 0.941 0.529 CB 1.547 18 residues pruned to eliminate duplicates Z: 19 18.201 2.080 0.753 0.499 0.889 0.556 CB 1.325 19 residues pruned to eliminate duplicates Z: 20 14.784 1.975 0.559 0.460 0.842 0.579 CB 1.363 20 residues pruned to eliminate duplicates Z: 23 23.618 1.996 0.724 0.571 0.909 0.727 CB 1.503 23 residues pruned to eliminate duplicates Z: 58 40.924 2.291 0.886 0.447 0.912 0.561 CB 1.452 58 residues pruned to eliminate duplicates Z: 8 6.888 1.561 0.198 0.756 1.000 0.714 CB 1.108 8 residues pruned to eliminate duplicates Z: 18 15.428 2.141 0.351 0.408 0.882 0.529 CB 1.615 18 residues pruned to eliminate duplicates Z: 21 20.419 2.177 0.854 0.517 0.900 0.650 CB 1.236 21 residues pruned to eliminate duplicates Z: 66 41.834 2.239 0.752 0.501 0.846 0.615 CB 1.563 66 residues pruned to eliminate duplicates Z: 19 14.831 2.114 0.990 0.441 0.889 0.500 CB 0.993 19 residues pruned to eliminate duplicates Z: 6 6.971 1.882 -0.246 0.824 1.000 1.000 CB 1.660 6 residues pruned to eliminate duplicates Z: 6 4.824 1.731 0.466 0.576 0.800 0.800 CB 0.988 6 residues pruned to eliminate duplicates Z: 39 17.039 2.037 0.553 0.363 0.816 0.474 CB 1.241 47 residues pruned to eliminate duplicates Z: 10 18.472 1.979 0.698 0.766 1.000 0.889 CB 1.447 10 residues pruned to eliminate duplicates Z: 10 21.920 2.051 0.727 0.885 1.000 0.889 CA 1.489 10 residues pruned to eliminate duplicates Z: 18 27.404 2.237 1.050 0.483 0.882 0.706 CB 1.671 18 residues pruned to eliminate duplicates Z: 9 4.443 1.631 0.385 0.337 0.875 0.625 N 0.950 9 residues pruned to eliminate duplicates Z: 10 8.536 1.661 0.758 0.613 0.889 0.667 CB 0.985 10 residues pruned to eliminate duplicates Z: 55 35.042 2.155 0.723 0.427 0.907 0.593 CB 1.526 55 residues pruned to eliminate duplicates Z: 19 12.531 1.950 0.349 0.439 0.778 0.500 CB 1.538 19 residues pruned to eliminate duplicates Z: 8 11.652 1.722 0.814 0.720 1.000 0.857 CB 1.156 Z: 7 3.514 1.773 0.087 0.460 0.667 0.333 O 1.162 Z: 10 10.591 1.838 0.558 0.568 0.889 0.778 CB 1.299 10 residues pruned to eliminate duplicates Z: 48 37.664 2.257 0.839 0.529 0.830 0.574 CB 1.550 48 residues pruned to eliminate duplicates Z: 35 22.102 1.904 0.752 0.456 0.912 0.559 CB 1.304 51 residues pruned to eliminate duplicates Z: 8 19.815 2.015 0.780 0.761 1.000 1.000 CA 1.657 8 residues pruned to eliminate duplicates Z: 8 8.081 1.849 0.624 0.375 0.714 0.429 CB 1.628 8 residues pruned to eliminate duplicates Z: 6 3.738 1.422 0.251 0.699 1.000 0.800 CB 0.784 6 residues pruned to eliminate duplicates Z: 10 4.542 1.765 -0.082 0.498 1.000 0.556 CB 0.936 Z: 11 13.533 1.839 0.689 0.867 0.900 0.800 CB 1.120 11 residues pruned to eliminate duplicates Z: 6 5.939 1.811 -0.181 0.776 1.000 0.800 CB 1.404 6 residues pruned to eliminate duplicates Z: 67 43.386 2.299 0.940 0.451 0.894 0.561 CB 1.409 67 residues pruned to eliminate duplicates Z: 22 28.383 2.075 0.732 0.626 0.952 0.714 CB 1.606 22 residues pruned to eliminate duplicates Z: 8 7.711 1.604 0.685 0.526 0.857 0.571 CB 1.226 8 residues pruned to eliminate duplicates Z: 10 12.663 1.851 0.546 0.904 1.000 0.778 CB 1.051 10 residues pruned to eliminate duplicates Z: 33 34.595 2.293 0.990 0.479 0.875 0.531 CB 1.564 33 residues pruned to eliminate duplicates Z: 15 22.730 2.093 0.764 0.610 0.929 0.643 CB 1.597 15 residues pruned to eliminate duplicates Z: 13 8.217 1.885 0.368 0.428 0.750 0.583 CB 1.322 13 residues pruned to eliminate duplicates Z: 53 35.183 2.241 0.467 0.498 0.942 0.462 CB 1.577 53 residues pruned to eliminate duplicates Z: 18 13.052 1.731 0.263 0.614 0.941 0.765 CB 1.381 15 residues pruned to eliminate duplicates 6 0.795 1.650 -0.249 0.486 0.800 0.800 CB 0.364 ? Z: 12 27.737 2.113 0.972 0.722 1.000 0.727 CB 1.643 18 residues pruned to eliminate duplicates Z: 7 4.337 1.558 0.325 0.404 0.833 0.167 CB 1.138 7 residues pruned to eliminate duplicates Z: 11 7.827 1.894 0.710 0.395 0.700 0.500 CB 1.220 11 residues pruned to eliminate duplicates Z: 10 15.682 2.342 0.433 0.461 1.000 0.667 CB 1.620 10 residues pruned to eliminate duplicates Z: 16 11.336 2.055 0.517 0.334 0.800 0.467 CB 1.407 16 residues pruned to eliminate duplicates Z: 60 50.201 2.310 0.814 0.552 0.915 0.644 CB 1.619 60 residues pruned to eliminate duplicates Z: 8 10.751 1.839 0.473 0.729 0.857 0.857 CB 1.423 8 residues pruned to eliminate duplicates Z: 21 17.045 1.979 0.815 0.505 0.900 0.650 CB 1.173 21 residues pruned to eliminate duplicates Z: 11 4.084 1.769 0.525 0.321 0.700 0.700 CB 0.832 Z: 17 12.016 1.901 0.480 0.457 0.938 0.500 CB 1.190 17 residues pruned to eliminate duplicates Z: 15 12.676 1.845 0.998 0.570 0.857 0.500 CB 1.002 15 residues pruned to eliminate duplicates Z: 17 8.731 1.756 0.162 0.373 0.938 0.688 CB 1.307 17 residues pruned to eliminate duplicates Z: 9 8.901 1.871 0.487 0.469 1.000 0.500 CB 1.168 9 residues pruned to eliminate duplicates Z: 7 2.934 1.284 0.018 0.601 0.833 0.667 CB 0.999 Z: 15 10.493 1.739 0.375 0.528 0.857 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 6 3.023 1.509 -0.025 0.643 0.800 0.800 N 1.005 Z: 8 9.951 1.680 0.912 0.612 1.000 0.714 CB 1.052 8 residues pruned to eliminate duplicates Z: 12 8.859 1.677 0.547 0.478 0.818 0.545 CB 1.286 Z: 7 12.660 1.863 0.709 0.702 1.000 0.833 CB 1.350 8 residues pruned to eliminate duplicates Z: 21 16.189 1.958 0.772 0.400 0.750 0.650 CB 1.546 21 residues pruned to eliminate duplicates Z: 76 48.593 2.310 0.805 0.486 0.880 0.613 CB 1.550 76 residues pruned to eliminate duplicates Z: 10 16.962 2.156 0.789 0.541 0.889 0.444 CB 1.583 10 residues pruned to eliminate duplicates Z: 69 38.054 2.220 0.720 0.506 0.809 0.618 CB 1.486 69 residues pruned to eliminate duplicates Z: 13 17.170 2.003 1.064 0.476 0.833 0.583 CA 1.474 13 residues pruned to eliminate duplicates Z: 6 3.894 1.470 0.151 0.746 0.800 0.800 CB 1.033 6 residues pruned to eliminate duplicates Z: 16 10.702 1.977 0.300 0.506 0.800 0.667 CB 1.336 16 residues pruned to eliminate duplicates Z: 17 11.234 1.991 0.457 0.468 0.750 0.625 CB 1.333 17 residues pruned to eliminate duplicates Z: 6 2.764 1.892 -0.390 0.765 1.000 0.600 CB 0.847 Z: 16 12.459 2.197 0.536 0.268 0.867 0.400 CA 1.433 16 residues pruned to eliminate duplicates Z: 15 19.462 2.157 0.797 0.504 0.857 0.571 CB 1.558 15 residues pruned to eliminate duplicates Z: 17 16.374 1.960 0.582 0.575 1.000 0.625 CB 1.227 17 residues pruned to eliminate duplicates Z: 12 17.268 2.070 0.537 0.608 1.000 0.727 CA 1.477 12 residues pruned to eliminate duplicates Z: 28 20.417 2.017 0.731 0.504 0.852 0.630 CB 1.316 28 residues pruned to eliminate duplicates Z: 8 3.702 1.596 -0.155 0.791 1.000 1.000 CB 0.803 Z: 7 5.475 1.740 0.031 0.729 0.833 0.833 CB 1.216 Z: 38 26.122 1.994 0.536 0.578 0.946 0.703 CB 1.375 38 residues pruned to eliminate duplicates Z: 15 15.135 2.218 0.377 0.398 0.929 0.571 CA 1.588 15 residues pruned to eliminate duplicates Z: 6 2.454 1.693 -0.140 0.644 0.800 0.800 CB 0.824 6 residues pruned to eliminate duplicates Z: 11 12.173 2.173 0.526 0.453 0.800 0.300 CA 1.523 11 residues pruned to eliminate duplicates Z: 21 14.355 2.160 0.498 0.422 0.800 0.500 CB 1.345 21 residues pruned to eliminate duplicates Z: 12 4.573 1.609 0.131 0.405 0.818 0.455 CB 1.024 12 residues pruned to eliminate duplicates Z: 33 25.519 2.089 0.548 0.495 0.906 0.656 CB 1.546 33 residues pruned to eliminate duplicates Z: 39 23.102 2.164 0.511 0.498 0.842 0.526 CB 1.364 39 residues pruned to eliminate duplicates Z: 8 6.610 1.442 0.902 0.443 1.000 0.714 CB 0.966 8 residues pruned to eliminate duplicates Z: 18 27.958 2.093 1.012 0.655 0.941 0.882 CA 1.481 18 residues pruned to eliminate duplicates Z: 6 5.706 1.797 -0.192 0.811 1.000 0.800 CB 1.341 6 residues pruned to eliminate duplicates Z: 39 44.264 2.339 0.870 0.580 0.895 0.632 CB 1.699 39 residues pruned to eliminate duplicates Z: 17 8.633 1.562 0.493 0.369 0.875 0.500 CB 1.217 13 residues pruned to eliminate duplicates Z: 38 32.672 2.330 0.472 0.469 0.973 0.514 CB 1.661 38 residues pruned to eliminate duplicates Z: 7 12.512 1.795 0.665 0.848 1.000 1.000 CB 1.268 7 residues pruned to eliminate duplicates Z: 56 44.570 2.290 0.649 0.488 0.982 0.636 CB 1.640 56 residues pruned to eliminate duplicates Z: 8 6.849 1.799 -0.176 0.873 1.000 1.000 CB 1.272 8 residues pruned to eliminate duplicates Z: 6 4.643 1.564 0.497 0.414 0.800 0.600 CB 1.212 Z: 9 8.027 1.725 0.579 0.877 0.875 0.625 CB 0.865 9 residues pruned to eliminate duplicates Z: 26 24.148 2.110 0.853 0.522 0.960 0.640 CB 1.259 26 residues pruned to eliminate duplicates Z: 12 7.379 1.682 0.416 0.450 0.818 0.636 CB 1.201 12 residues pruned to eliminate duplicates Z: 18 10.666 1.784 0.944 0.588 0.824 0.706 CB 0.833 18 residues pruned to eliminate duplicates Z: 8 8.995 1.780 0.988 0.625 0.714 0.714 CB 1.196 7 residues pruned to eliminate duplicates Z: 6 3.453 1.489 0.069 0.488 1.000 0.800 C 0.982 Z: 23 22.417 2.046 0.628 0.552 0.909 0.727 CB 1.500 23 residues pruned to eliminate duplicates Z: 16 15.824 1.939 0.431 0.641 1.000 0.667 CB 1.290 16 residues pruned to eliminate duplicates Z: 39 42.885 2.393 0.946 0.593 0.895 0.579 CB 1.527 39 residues pruned to eliminate duplicates Z: 10 9.861 1.685 0.535 0.825 1.000 0.889 CB 0.959 10 residues pruned to eliminate duplicates Z: 18 12.459 2.046 0.353 0.427 0.765 0.588 CB 1.540 18 residues pruned to eliminate duplicates Z: 19 20.585 2.165 0.815 0.448 0.944 0.611 CB 1.379 19 residues pruned to eliminate duplicates Z: 8 4.235 1.731 0.018 0.360 1.000 0.429 CB 1.056 Z: 7 23.932 2.228 1.019 0.772 1.000 0.833 CA 1.708 7 residues pruned to eliminate duplicates Z: 18 21.788 2.097 0.827 0.504 0.941 0.706 CB 1.460 18 residues pruned to eliminate duplicates Z: 14 21.893 2.103 0.904 0.687 0.846 0.769 CB 1.510 21 residues pruned to eliminate duplicates Z: 6 2.828 1.817 -0.024 0.432 0.800 0.400 CB 0.956 Z: 9 9.560 2.053 0.169 0.525 1.000 0.750 CA 1.373 9 residues pruned to eliminate duplicates Z: 7 3.740 1.461 -0.052 0.537 1.000 0.667 O 1.063 5 residues pruned to eliminate duplicates Z: 6 4.586 1.594 -0.257 0.769 1.000 0.800 N 1.364 4 residues pruned to eliminate duplicates Z: 7 5.104 1.644 0.058 0.546 1.000 0.833 N 1.146 Z: 22 27.355 2.129 0.977 0.567 0.952 0.619 CB 1.396 22 residues pruned to eliminate duplicates Z: 12 10.843 1.696 0.636 0.599 0.909 0.818 CB 1.179 12 residues pruned to eliminate duplicates Z: 7 3.124 1.525 0.117 0.652 0.833 0.667 N 0.780 Z: 63 44.333 2.256 0.696 0.519 0.919 0.597 CB 1.570 63 residues pruned to eliminate duplicates Z: 22 20.974 2.106 0.453 0.535 0.952 0.762 CB 1.518 22 residues pruned to eliminate duplicates Z: 89 42.518 2.229 0.737 0.448 0.841 0.580 CB 1.469 89 residues pruned to eliminate duplicates Z: 39 36.044 2.335 0.756 0.521 0.868 0.605 CB 1.608 39 residues pruned to eliminate duplicates Z: 7 2.670 1.648 -0.351 0.548 0.833 0.500 C 1.166 Z: 8 17.696 1.945 0.634 0.865 1.000 1.000 CB 1.541 8 residues pruned to eliminate duplicates Z: 26 11.917 1.968 0.533 0.448 0.680 0.440 CB 1.226 26 residues pruned to eliminate duplicates Z: 10 21.026 2.050 0.807 0.872 0.889 0.444 CB 1.551 10 residues pruned to eliminate duplicates Z: 32 21.054 1.997 0.647 0.496 0.871 0.548 CB 1.326 32 residues pruned to eliminate duplicates Z: 11 13.957 1.949 0.836 0.657 0.900 0.600 CB 1.184 11 residues pruned to eliminate duplicates Z: 7 3.671 1.618 0.031 0.559 0.833 0.667 CB 1.019 6 residues pruned to eliminate duplicates Z: 6 2.043 1.460 0.052 0.194 1.000 0.600 CA 0.857 Z: 19 13.998 2.098 0.365 0.410 0.889 0.667 CB 1.424 19 residues pruned to eliminate duplicates Z: 7 4.401 1.696 0.146 0.566 0.833 0.500 CA 1.041 7 residues pruned to eliminate duplicates Z: 24 24.880 1.971 0.611 0.594 0.957 0.739 CB 1.561 24 residues pruned to eliminate duplicates Z: 21 20.106 2.164 0.734 0.567 0.900 0.650 CB 1.248 21 residues pruned to eliminate duplicates Z: 8 5.775 1.777 1.411 0.574 0.714 0.714 N 0.664 Z: 8 3.196 1.461 0.472 0.314 0.857 0.571 N 0.805 8 residues pruned to eliminate duplicates Z: 6 10.224 1.819 0.704 0.619 1.000 0.600 CB 1.318 6 residues pruned to eliminate duplicates Z: 6 4.294 1.465 0.325 0.411 1.000 0.600 CB 1.086 6 residues pruned to eliminate duplicates Z: 31 31.768 2.314 0.773 0.491 0.867 0.633 CB 1.645 31 residues pruned to eliminate duplicates Z: 43 22.080 1.982 0.504 0.430 0.929 0.548 CB 1.324 43 residues pruned to eliminate duplicates Z: 21 13.454 1.816 0.703 0.480 0.800 0.600 CA 1.240 21 residues pruned to eliminate duplicates Z: 15 20.482 2.060 0.829 0.536 0.929 0.786 CB 1.511 15 residues pruned to eliminate duplicates Z: 26 23.039 2.282 0.573 0.424 0.880 0.520 CB 1.578 26 residues pruned to eliminate duplicates Z: 10 5.578 1.578 0.092 0.697 1.000 0.667 CB 0.901 6 residues pruned to eliminate duplicates Z: 65 48.691 2.322 0.711 0.478 0.938 0.625 CB 1.670 65 residues pruned to eliminate duplicates Z: 7 3.125 1.176 0.195 0.469 1.000 0.500 CA 0.937 7 residues pruned to eliminate duplicates Z: 8 3.990 1.583 0.208 0.490 1.000 0.857 CB 0.797 8 residues pruned to eliminate duplicates Z: 8 19.518 1.931 1.031 0.849 1.000 1.000 CB 1.395 8 residues pruned to eliminate duplicates Z: 7 6.895 1.707 -0.005 0.780 1.000 1.000 CB 1.294 7 residues pruned to eliminate duplicates Z: 12 4.947 1.779 0.299 0.273 0.727 0.545 CB 1.148 12 residues pruned to eliminate duplicates Z: 35 25.984 2.282 0.396 0.454 0.882 0.500 CB 1.661 35 residues pruned to eliminate duplicates Z: 16 18.576 2.186 0.907 0.426 0.800 0.600 CB 1.553 9 residues pruned to eliminate duplicates Z: 55 35.192 2.251 0.550 0.447 0.907 0.556 CB 1.597 55 residues pruned to eliminate duplicates Z: 6 4.327 1.326 0.736 0.565 0.800 0.400 N 0.988 Z: 7 12.789 1.952 0.683 0.636 1.000 0.667 CB 1.400 7 residues pruned to eliminate duplicates Z: 10 21.241 2.032 0.897 0.846 0.889 0.333 CA 1.535 10 residues pruned to eliminate duplicates Z: 6 2.237 1.342 0.131 0.616 0.800 0.600 CB 0.738 6 residues pruned to eliminate duplicates Z: 21 14.243 1.966 0.468 0.489 0.900 0.700 CB 1.240 21 residues pruned to eliminate duplicates Z: 49 40.095 2.273 0.646 0.537 0.938 0.583 CB 1.590 49 residues pruned to eliminate duplicates Z: 11 10.510 1.768 0.343 0.822 0.900 0.700 CB 1.176 11 residues pruned to eliminate duplicates Z: 55 47.304 2.313 0.762 0.522 0.926 0.537 CB 1.669 55 residues pruned to eliminate duplicates Z: 9 4.830 1.373 0.462 0.537 0.875 0.500 C 0.937 Z: 59 47.201 2.293 1.030 0.498 0.862 0.586 CB 1.547 59 residues pruned to eliminate duplicates Z: 10 11.957 1.872 0.468 0.882 1.000 0.444 CB 1.049 10 residues pruned to eliminate duplicates Z: 9 6.736 1.903 0.248 0.668 0.875 0.750 CB 0.982 9 residues pruned to eliminate duplicates Z: 17 19.893 1.934 0.846 0.617 0.875 0.688 CB 1.426 17 residues pruned to eliminate duplicates Z: 22 9.625 2.134 0.098 0.354 0.714 0.476 CB 1.470 22 residues pruned to eliminate duplicates Z: 7 6.997 1.563 0.476 0.812 1.000 0.833 N 0.944 Z: 10 11.563 1.907 0.559 0.807 0.889 0.333 CB 1.116 10 residues pruned to eliminate duplicates Z: 21 24.961 2.224 0.746 0.456 0.950 0.800 CB 1.583 21 residues pruned to eliminate duplicates Z: 16 17.121 1.862 0.596 0.685 0.800 0.667 CB 1.568 16 residues pruned to eliminate duplicates Z: 10 29.878 2.105 1.039 0.907 1.000 0.778 CB 1.649 10 residues pruned to eliminate duplicates Z: 7 2.814 1.593 -0.025 0.474 0.833 0.333 CB 0.911 7 residues pruned to eliminate duplicates Z: 17 10.050 2.049 0.344 0.357 0.812 0.500 CB 1.310 17 residues pruned to eliminate duplicates Z: 20 13.683 2.213 0.685 0.343 0.789 0.474 CB 1.265 20 residues pruned to eliminate duplicates Z: 9 5.787 1.672 0.732 0.611 0.750 0.625 CB 0.848 9 residues pruned to eliminate duplicates Z: 14 18.421 1.908 0.689 0.689 0.923 0.692 CB 1.444 14 residues pruned to eliminate duplicates Z: 15 11.988 1.750 0.614 0.650 0.929 0.643 CB 1.063 15 residues pruned to eliminate duplicates Z: 12 4.106 1.415 0.650 0.250 0.727 0.545 CA 0.972 12 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 11 25.992 2.067 1.036 0.813 0.900 0.500 CA 1.653 11 residues pruned to eliminate duplicates Z: 17 19.151 1.890 1.121 0.610 0.750 0.688 CB 1.435 17 residues pruned to eliminate duplicates Z: 40 30.577 2.054 0.878 0.555 0.872 0.590 CB 1.380 39 residues pruned to eliminate duplicates Z: 11 24.818 2.103 0.921 0.813 0.900 0.600 CA 1.645 12 residues pruned to eliminate duplicates Z: 10 23.762 2.154 1.091 0.825 0.778 0.556 CA 1.707 10 residues pruned to eliminate duplicates Z: 10 28.377 2.202 1.191 0.793 0.889 0.556 CB 1.706 11 residues pruned to eliminate duplicates Z: 12 20.185 1.965 0.874 0.808 0.818 0.545 CA 1.544 12 residues pruned to eliminate duplicates Z: 12 20.022 1.942 1.167 0.700 0.818 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 37 22.017 1.941 0.636 0.513 0.889 0.611 CB 1.282 37 residues pruned to eliminate duplicates Z: 24 13.392 1.602 0.608 0.564 0.957 0.696 CB 1.066 24 residues pruned to eliminate duplicates Z: 44 23.356 1.885 0.628 0.506 0.907 0.721 CB 1.271 44 residues pruned to eliminate duplicates Z: 37 19.810 1.968 0.599 0.523 0.833 0.583 CB 1.230 37 residues pruned to eliminate duplicates Z: 13 23.998 2.218 1.168 0.676 0.833 0.667 CB 1.470 15 residues pruned to eliminate duplicates Z: 6 4.163 1.674 0.273 0.373 1.000 0.600 CB 1.000 6 residues pruned to eliminate duplicates Z: 14 19.051 2.133 0.971 0.633 0.846 0.692 CB 1.311 14 residues pruned to eliminate duplicates Z: 9 22.362 2.339 1.299 0.662 0.875 0.750 CB 1.446 9 residues pruned to eliminate duplicates Z: 14 17.668 2.114 0.875 0.632 0.769 0.615 CB 1.419 14 residues pruned to eliminate duplicates Z: 10 18.899 2.227 1.218 0.654 0.778 0.667 CB 1.420 10 residues pruned to eliminate duplicates Z: 40 27.102 2.025 0.633 0.575 0.897 0.487 CB 1.360 40 residues pruned to eliminate duplicates Z: 29 19.746 1.999 0.760 0.554 0.857 0.464 CB 1.174 29 residues pruned to eliminate duplicates Z: 28 21.185 2.053 0.619 0.540 0.926 0.556 CB 1.273 28 residues pruned to eliminate duplicates Z: 38 21.139 1.948 0.720 0.502 0.784 0.486 CB 1.320 38 residues pruned to eliminate duplicates Z: 27 22.860 2.111 0.687 0.564 0.923 0.654 CB 1.281 27 residues pruned to eliminate duplicates Z: 19 17.441 2.111 0.530 0.464 0.944 0.444 CB 1.398 19 residues pruned to eliminate duplicates Z: 39 33.018 2.089 0.852 0.573 0.921 0.605 CB 1.401 39 residues pruned to eliminate duplicates Z: 19 19.629 2.115 0.719 0.479 0.889 0.500 CB 1.463 19 residues pruned to eliminate duplicates Z: 26 14.887 1.955 0.671 0.414 0.840 0.480 CB 1.187 26 residues pruned to eliminate duplicates Z: 16 16.840 2.061 0.636 0.529 0.933 0.800 CB 1.342 16 residues pruned to eliminate duplicates Z: 17 11.381 1.940 0.389 0.453 0.875 0.625 CB 1.266 17 residues pruned to eliminate duplicates Z: 12 9.714 1.917 0.539 0.395 0.818 0.455 CB 1.356 12 residues pruned to eliminate duplicates Z: 16 14.267 1.925 0.589 0.487 0.933 0.400 CB 1.308 16 residues pruned to eliminate duplicates Z: 16 18.002 2.002 0.592 0.569 1.000 0.667 CB 1.364 16 residues pruned to eliminate duplicates Z: 15 16.030 2.037 0.567 0.526 1.000 0.643 CB 1.308 15 residues pruned to eliminate duplicates Z: 27 22.488 2.120 0.740 0.497 0.885 0.692 CB 1.356 27 residues pruned to eliminate duplicates Z: 16 16.980 1.984 0.736 0.483 0.933 0.667 CB 1.388 16 residues pruned to eliminate duplicates Z: 17 15.941 1.896 0.765 0.517 0.938 0.625 CB 1.248 17 residues pruned to eliminate duplicates Z: 16 16.532 1.994 0.641 0.522 0.933 0.867 CB 1.367 16 residues pruned to eliminate duplicates Z: 24 21.108 2.063 0.708 0.487 0.913 0.565 CB 1.386 24 residues pruned to eliminate duplicates Z: 25 19.000 2.067 0.693 0.535 0.833 0.750 CB 1.285 25 residues pruned to eliminate duplicates Z: 18 13.338 1.893 0.526 0.451 0.882 0.588 CB 1.335 18 residues pruned to eliminate duplicates Z: 23 13.147 1.864 0.483 0.412 0.864 0.545 CA 1.287 23 residues pruned to eliminate duplicates Z: 9 8.339 1.767 0.255 0.493 1.000 0.375 CA 1.340 9 residues pruned to eliminate duplicates Z: 14 7.140 1.762 0.275 0.387 0.769 0.462 CB 1.292 14 residues pruned to eliminate duplicates Z: 12 6.471 1.604 0.784 0.316 0.818 0.545 CB 1.021 12 residues pruned to eliminate duplicates Z: 9 10.543 1.798 0.657 0.535 0.875 0.500 CB 1.382 9 residues pruned to eliminate duplicates Z: 15 18.896 1.897 0.747 0.693 0.857 0.571 CB 1.490 15 residues pruned to eliminate duplicates Z: 9 15.365 2.013 0.717 0.665 0.875 0.750 CB 1.541 9 residues pruned to eliminate duplicates Z: 19 16.002 1.863 0.544 0.605 0.944 0.667 CB 1.257 15 residues pruned to eliminate duplicates Z: 6 6.060 2.019 0.435 0.299 0.800 0.800 CA 1.464 6 residues pruned to eliminate duplicates Z: 19 20.079 2.089 1.036 0.547 0.722 0.611 CB 1.472 20 residues pruned to eliminate duplicates Z: 6 5.603 1.519 0.728 0.411 1.000 0.600 C 1.047 6 residues pruned to eliminate duplicates Z: 15 21.141 1.920 0.851 0.702 0.857 0.786 CB 1.543 15 residues pruned to eliminate duplicates Z: 13 8.126 1.604 0.446 0.572 0.833 0.583 CB 1.132 13 residues pruned to eliminate duplicates Z: 12 10.287 1.747 0.532 0.614 0.909 0.636 CB 1.144 12 residues pruned to eliminate duplicates Z: 17 10.246 1.733 0.551 0.461 0.812 0.562 CB 1.220 17 residues pruned to eliminate duplicates Z: 12 6.131 1.700 0.529 0.469 0.727 0.636 CB 1.009 12 residues pruned to eliminate duplicates Z: 16 13.758 1.809 0.569 0.544 0.867 0.733 CB 1.382 16 residues pruned to eliminate duplicates Z: 13 9.048 1.704 0.538 0.520 0.917 0.583 CB 1.067 13 residues pruned to eliminate duplicates Z: 12 10.244 1.811 0.580 0.539 0.909 0.545 CB 1.143 12 residues pruned to eliminate duplicates Z: 12 8.873 1.713 0.383 0.555 0.909 0.727 CB 1.177 12 residues pruned to eliminate duplicates Z: 89 42.808 2.204 0.681 0.467 0.875 0.636 CB 1.455 89 residues pruned to eliminate duplicates Z: 18 11.910 2.021 0.417 0.447 0.765 0.706 CB 1.393 18 residues pruned to eliminate duplicates Z: 13 11.847 2.166 0.793 0.395 0.750 0.333 CA 1.312 13 residues pruned to eliminate duplicates Z: 61 42.033 2.365 0.755 0.454 0.867 0.567 CB 1.581 61 residues pruned to eliminate duplicates Z: 11 8.499 2.011 0.446 0.360 0.800 0.400 CB 1.344 11 residues pruned to eliminate duplicates Z: 11 15.231 2.305 0.754 0.449 0.800 0.600 CA 1.570 11 residues pruned to eliminate duplicates Z: 9 11.404 2.232 0.683 0.384 0.875 0.500 CA 1.388 9 residues pruned to eliminate duplicates Z: 9 12.577 2.126 0.647 0.403 1.000 0.750 CA 1.406 9 residues pruned to eliminate duplicates Z: 53 42.859 2.345 0.845 0.479 0.885 0.558 CB 1.587 53 residues pruned to eliminate duplicates Z: 76 44.753 2.248 0.879 0.475 0.867 0.587 CB 1.448 76 residues pruned to eliminate duplicates Z: 14 10.513 2.188 0.749 0.375 0.615 0.231 CB 1.416 14 residues pruned to eliminate duplicates Z: 61 47.503 2.367 0.860 0.506 0.883 0.683 CB 1.569 61 residues pruned to eliminate duplicates Z: 65 46.948 2.339 0.835 0.474 0.891 0.594 CB 1.577 65 residues pruned to eliminate duplicates Z: 50 47.168 2.364 0.860 0.504 0.939 0.673 CB 1.626 50 residues pruned to eliminate duplicates Z: 47 39.342 2.361 0.789 0.492 0.848 0.630 CB 1.632 47 residues pruned to eliminate duplicates Z: 59 51.576 2.365 0.954 0.499 0.914 0.672 CB 1.606 59 residues pruned to eliminate duplicates Z: 59 46.939 2.362 0.840 0.489 0.897 0.621 CB 1.599 59 residues pruned to eliminate duplicates Z: 71 40.625 2.217 0.770 0.476 0.886 0.629 CB 1.432 71 residues pruned to eliminate duplicates Z: 58 42.147 2.339 0.898 0.473 0.860 0.614 CB 1.503 58 residues pruned to eliminate duplicates Z: 57 44.328 2.350 0.958 0.475 0.875 0.625 CB 1.509 57 residues pruned to eliminate duplicates Z: 57 46.512 2.342 0.908 0.515 0.893 0.679 CB 1.534 57 residues pruned to eliminate duplicates Z: 58 47.193 2.346 0.923 0.468 0.912 0.614 CB 1.569 58 residues pruned to eliminate duplicates Z: 52 40.023 2.345 0.871 0.469 0.882 0.529 CB 1.494 52 residues pruned to eliminate duplicates Z: 52 45.083 2.347 0.955 0.479 0.863 0.627 CB 1.629 52 residues pruned to eliminate duplicates Z: 59 44.206 2.344 0.931 0.459 0.879 0.638 CB 1.521 59 residues pruned to eliminate duplicates Z: 60 41.306 2.314 0.910 0.456 0.881 0.576 CB 1.445 60 residues pruned to eliminate duplicates Z: 50 38.810 2.314 0.869 0.491 0.878 0.592 CB 1.474 50 residues pruned to eliminate duplicates Z: 60 48.558 2.295 0.850 0.526 0.932 0.661 CB 1.557 60 residues pruned to eliminate duplicates Z: 77 48.066 2.321 0.829 0.477 0.882 0.605 CB 1.508 77 residues pruned to eliminate duplicates Z: 60 42.532 2.325 0.916 0.460 0.847 0.610 CB 1.528 60 residues pruned to eliminate duplicates Z: 83 45.179 2.274 0.775 0.468 0.854 0.585 CB 1.496 83 residues pruned to eliminate duplicates Z: 75 43.614 2.249 0.811 0.479 0.865 0.554 CB 1.470 75 residues pruned to eliminate duplicates Z: 59 43.514 2.336 0.834 0.485 0.897 0.569 CB 1.510 59 residues pruned to eliminate duplicates Z: 51 42.245 2.370 0.902 0.471 0.840 0.660 CB 1.624 51 residues pruned to eliminate duplicates Z: 43 41.630 2.367 0.929 0.490 0.881 0.548 CB 1.613 43 residues pruned to eliminate duplicates Z: 67 45.844 2.283 0.977 0.490 0.879 0.621 CB 1.436 67 residues pruned to eliminate duplicates Z: 59 44.379 2.329 0.903 0.494 0.879 0.621 CB 1.504 59 residues pruned to eliminate duplicates Z: 25 36.864 2.307 0.994 0.558 0.917 0.625 CB 1.686 25 residues pruned to eliminate duplicates Z: 26 34.130 2.364 0.896 0.520 0.920 0.560 CB 1.622 26 residues pruned to eliminate duplicates Z: 26 42.806 2.370 1.122 0.599 0.960 0.680 CB 1.613 26 residues pruned to eliminate duplicates Z: 57 38.263 2.335 0.775 0.458 0.875 0.607 CB 1.472 57 residues pruned to eliminate duplicates Z: 58 42.886 2.363 0.904 0.457 0.842 0.579 CB 1.567 58 residues pruned to eliminate duplicates Z: 78 44.566 2.246 0.854 0.435 0.883 0.597 CB 1.477 78 residues pruned to eliminate duplicates Z: 70 42.439 2.243 0.782 0.479 0.913 0.565 CB 1.431 70 residues pruned to eliminate duplicates Z: 69 44.970 2.315 0.746 0.471 0.926 0.618 CB 1.499 69 residues pruned to eliminate duplicates Z: 41 26.580 2.199 0.896 0.319 0.850 0.500 CB 1.449 41 residues pruned to eliminate duplicates Z: 55 45.894 2.367 0.893 0.494 0.907 0.611 CB 1.545 55 residues pruned to eliminate duplicates Z: 24 40.540 2.400 0.952 0.608 0.957 0.696 CB 1.702 24 residues pruned to eliminate duplicates Z: 58 43.621 2.332 0.976 0.459 0.895 0.596 CB 1.460 58 residues pruned to eliminate duplicates Z: 26 32.469 2.245 0.889 0.546 0.880 0.560 CB 1.663 26 residues pruned to eliminate duplicates Z: 51 43.366 2.353 0.892 0.479 0.940 0.560 CB 1.497 51 residues pruned to eliminate duplicates Z: 57 41.771 2.359 0.854 0.474 0.893 0.589 CB 1.468 57 residues pruned to eliminate duplicates Z: 25 30.319 2.268 1.005 0.487 0.833 0.542 CB 1.655 25 residues pruned to eliminate duplicates Z: 19 21.695 2.199 0.884 0.435 0.889 0.556 CB 1.485 19 residues pruned to eliminate duplicates Z: 60 41.026 2.311 0.851 0.458 0.864 0.542 CB 1.507 60 residues pruned to eliminate duplicates Z: 25 40.141 2.347 1.055 0.610 0.875 0.583 CB 1.749 25 residues pruned to eliminate duplicates Z: 51 42.800 2.348 0.968 0.516 0.860 0.620 CB 1.499 51 residues pruned to eliminate duplicates Z: 58 44.051 2.313 0.877 0.482 0.912 0.614 CB 1.500 58 residues pruned to eliminate duplicates Z: 40 34.222 2.298 0.801 0.525 0.821 0.615 CB 1.574 40 residues pruned to eliminate duplicates Z: 66 43.495 2.348 0.733 0.475 0.892 0.615 CB 1.524 66 residues pruned to eliminate duplicates Z: 88 43.240 2.231 0.759 0.491 0.839 0.655 CB 1.420 88 residues pruned to eliminate duplicates Z: 15 13.037 2.101 0.591 0.419 0.857 0.571 CB 1.323 15 residues pruned to eliminate duplicates Z: 11 8.986 2.043 0.456 0.357 0.800 0.700 CB 1.393 11 residues pruned to eliminate duplicates Z: 59 39.260 2.318 0.760 0.464 0.879 0.621 CB 1.490 59 residues pruned to eliminate duplicates Z: 32 19.770 2.086 0.542 0.495 0.839 0.710 CB 1.322 33 residues pruned to eliminate duplicates Z: 7 5.326 1.440 0.390 0.505 1.000 0.833 CA 1.081 Z: 6 5.104 1.711 0.604 0.485 1.000 1.000 CA 0.844 13 residues pruned to eliminate duplicates Z: 60 41.016 2.256 0.685 0.530 0.898 0.661 CB 1.517 60 residues pruned to eliminate duplicates Z: 74 46.317 2.263 0.749 0.482 0.918 0.589 CB 1.520 74 residues pruned to eliminate duplicates Z: 76 48.952 2.310 0.809 0.497 0.880 0.613 CB 1.541 76 residues pruned to eliminate duplicates Z: 25 18.005 2.059 0.480 0.442 0.917 0.542 CB 1.396 25 residues pruned to eliminate duplicates Z: 22 19.375 2.138 0.443 0.471 0.905 0.524 CB 1.560 22 residues pruned to eliminate duplicates Z: 77 50.283 2.312 0.810 0.493 0.895 0.553 CB 1.552 77 residues pruned to eliminate duplicates Z: 23 17.657 2.056 0.528 0.496 0.864 0.682 CB 1.392 23 residues pruned to eliminate duplicates Z: 7 15.661 2.291 0.846 0.599 0.833 0.833 CA 1.651 7 residues pruned to eliminate duplicates Z: 24 22.231 2.213 0.791 0.479 0.826 0.609 CB 1.446 24 residues pruned to eliminate duplicates Z: 24 25.344 2.226 0.838 0.477 0.913 0.652 CB 1.448 17 residues pruned to eliminate duplicates Z: 7 5.595 1.569 1.081 0.467 0.667 0.500 C 1.086 7 residues pruned to eliminate duplicates Z: 18 24.372 2.225 1.037 0.469 0.824 0.765 CB 1.634 18 residues pruned to eliminate duplicates Z: 6 7.652 1.851 0.688 0.454 1.000 0.800 CB 1.149 6 residues pruned to eliminate duplicates Z: 19 18.967 2.173 0.512 0.508 0.944 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 16 14.233 2.099 0.646 0.331 0.867 0.733 CB 1.478 16 residues pruned to eliminate duplicates Z: 18 24.872 2.263 0.897 0.469 0.882 0.765 CB 1.643 18 residues pruned to eliminate duplicates Z: 18 16.652 2.211 0.475 0.442 0.941 0.529 CB 1.396 18 residues pruned to eliminate duplicates Z: 38 36.319 2.169 0.886 0.532 0.919 0.622 CB 1.539 38 residues pruned to eliminate duplicates Z: 34 21.659 2.142 0.744 0.420 0.818 0.606 CB 1.341 34 residues pruned to eliminate duplicates Z: 18 15.017 2.200 0.507 0.460 0.882 0.588 CB 1.297 18 residues pruned to eliminate duplicates Z: 23 26.426 2.094 0.646 0.656 1.000 0.636 CB 1.414 23 residues pruned to eliminate duplicates Z: 22 30.098 2.169 0.867 0.670 0.952 0.762 CB 1.456 22 residues pruned to eliminate duplicates Z: 50 36.416 2.106 0.775 0.533 0.918 0.571 CB 1.466 50 residues pruned to eliminate duplicates Z: 30 33.326 2.189 0.821 0.596 0.931 0.655 CB 1.521 30 residues pruned to eliminate duplicates Z: 40 31.640 2.092 0.866 0.498 0.897 0.564 CB 1.448 40 residues pruned to eliminate duplicates Z: 49 38.259 2.113 0.776 0.542 0.958 0.625 CB 1.474 49 residues pruned to eliminate duplicates Z: 50 38.090 2.094 0.771 0.544 0.959 0.653 CB 1.465 50 residues pruned to eliminate duplicates Z: 54 37.321 2.061 0.805 0.544 0.943 0.660 CB 1.399 54 residues pruned to eliminate duplicates Z: 49 34.766 2.125 0.713 0.512 0.938 0.583 CB 1.452 49 residues pruned to eliminate duplicates Z: 50 38.159 2.101 0.900 0.547 0.898 0.653 CB 1.453 50 residues pruned to eliminate duplicates Z: 32 27.697 2.060 0.793 0.539 0.903 0.613 CB 1.435 32 residues pruned to eliminate duplicates Z: 14 22.075 1.985 0.876 0.631 1.000 0.692 CA 1.454 14 residues pruned to eliminate duplicates Z: 25 26.640 1.968 0.837 0.600 0.958 0.625 CB 1.427 25 residues pruned to eliminate duplicates Z: 49 37.972 2.109 0.871 0.546 0.896 0.646 CB 1.482 49 residues pruned to eliminate duplicates Z: 51 29.771 2.010 0.753 0.460 0.880 0.540 CB 1.413 51 residues pruned to eliminate duplicates Z: 50 37.428 2.081 0.778 0.545 0.959 0.612 CB 1.442 50 residues pruned to eliminate duplicates Z: 43 26.806 1.980 0.582 0.479 0.976 0.524 CB 1.381 43 residues pruned to eliminate duplicates Z: 49 29.727 2.040 0.691 0.503 0.917 0.583 CB 1.353 49 residues pruned to eliminate duplicates Z: 26 18.638 1.832 0.701 0.463 0.880 0.600 CA 1.411 26 residues pruned to eliminate duplicates Z: 24 28.427 2.012 0.960 0.582 0.957 0.696 CB 1.452 24 residues pruned to eliminate duplicates Z: 49 40.707 2.112 0.902 0.548 0.938 0.646 CB 1.488 49 residues pruned to eliminate duplicates Z: 45 28.684 2.045 0.710 0.455 0.909 0.591 CB 1.425 45 residues pruned to eliminate duplicates Z: 25 21.945 1.906 0.669 0.528 0.917 0.667 CA 1.495 25 residues pruned to eliminate duplicates Z: 23 25.074 1.861 0.772 0.569 1.000 0.636 CA 1.516 23 residues pruned to eliminate duplicates Z: 26 20.059 1.842 0.728 0.505 0.920 0.680 CB 1.363 26 residues pruned to eliminate duplicates Z: 43 26.358 2.042 0.675 0.450 0.881 0.548 CB 1.422 43 residues pruned to eliminate duplicates Z: 73 36.577 2.117 0.663 0.455 0.875 0.556 CB 1.466 73 residues pruned to eliminate duplicates Z: 36 22.854 1.966 0.701 0.527 0.829 0.600 CB 1.358 36 residues pruned to eliminate duplicates Z: 119 52.053 2.221 0.652 0.494 0.898 0.542 CB 1.463 119 residues pruned to eliminate duplicates Z: 45 25.860 2.015 0.697 0.455 0.886 0.659 CB 1.347 45 residues pruned to eliminate duplicates Z: 101 46.330 2.181 0.639 0.469 0.890 0.600 CB 1.503 101 residues pruned to eliminate duplicates Z: 39 26.065 2.006 0.595 0.492 0.921 0.658 CB 1.447 39 residues pruned to eliminate duplicates Z: 74 35.212 2.091 0.647 0.463 0.890 0.603 CB 1.396 74 residues pruned to eliminate duplicates Z: 52 30.105 2.241 0.566 0.413 0.824 0.510 CB 1.598 52 residues pruned to eliminate duplicates Z: 51 22.952 2.030 0.565 0.413 0.820 0.580 CB 1.366 51 residues pruned to eliminate duplicates Z: 60 35.432 2.081 0.720 0.513 0.932 0.644 CB 1.365 60 residues pruned to eliminate duplicates Z: 26 19.924 2.246 0.448 0.385 0.840 0.400 CB 1.647 26 residues pruned to eliminate duplicates Z: 57 34.163 2.061 0.666 0.490 0.929 0.589 CB 1.446 57 residues pruned to eliminate duplicates Z: 62 35.304 2.125 0.670 0.483 0.885 0.623 CB 1.464 62 residues pruned to eliminate duplicates Z: 55 34.993 2.094 0.676 0.498 0.963 0.630 CB 1.411 55 residues pruned to eliminate duplicates Z: 52 29.042 2.041 0.711 0.483 0.882 0.608 CB 1.343 52 residues pruned to eliminate duplicates Z: 74 44.688 2.368 0.654 0.460 0.863 0.575 CB 1.612 74 residues pruned to eliminate duplicates Z: 75 43.515 2.340 0.713 0.454 0.838 0.500 CB 1.580 75 residues pruned to eliminate duplicates Z: 50 31.567 2.290 0.512 0.461 0.857 0.551 CB 1.583 50 residues pruned to eliminate duplicates Z: 74 49.585 2.379 0.763 0.487 0.877 0.575 CB 1.600 74 residues pruned to eliminate duplicates Z: 48 31.891 2.282 0.689 0.439 0.872 0.574 CB 1.473 48 residues pruned to eliminate duplicates Z: 26 18.149 2.159 0.753 0.326 0.840 0.560 CB 1.382 26 residues pruned to eliminate duplicates Z: 37 21.629 2.264 0.501 0.379 0.806 0.444 CB 1.498 37 residues pruned to eliminate duplicates Z: 24 18.748 2.245 0.583 0.353 0.870 0.435 CB 1.483 24 residues pruned to eliminate duplicates Z: 23 21.119 2.289 0.593 0.372 0.955 0.545 CB 1.483 23 residues pruned to eliminate duplicates Z: 24 18.106 2.240 0.601 0.394 0.783 0.478 CB 1.505 24 residues pruned to eliminate duplicates Z: 65 31.812 2.127 0.663 0.460 0.922 0.578 CB 1.271 65 residues pruned to eliminate duplicates Z: 25 21.487 2.235 0.709 0.401 0.917 0.542 CB 1.390 25 residues pruned to eliminate duplicates Z: 69 52.753 2.373 0.831 0.506 0.912 0.574 CB 1.605 69 residues pruned to eliminate duplicates Z: 86 46.622 2.287 0.712 0.449 0.882 0.565 CB 1.542 86 residues pruned to eliminate duplicates Z: 82 50.773 2.325 0.820 0.473 0.864 0.494 CB 1.585 82 residues pruned to eliminate duplicates Z: 6 5.889 1.924 0.319 0.427 0.800 0.400 C 1.400 6 residues pruned to eliminate duplicates Z: 65 39.278 2.344 0.769 0.430 0.797 0.500 CB 1.598 65 residues pruned to eliminate duplicates Z: 50 34.260 2.280 0.624 0.455 0.857 0.633 CB 1.614 50 residues pruned to eliminate duplicates Z: 60 44.320 2.335 0.769 0.492 0.898 0.525 CB 1.568 60 residues pruned to eliminate duplicates Z: 80 44.282 2.259 0.789 0.450 0.848 0.443 CB 1.530 80 residues pruned to eliminate duplicates Z: 100 49.616 2.284 0.701 0.454 0.869 0.515 CB 1.548 100 residues pruned to eliminate duplicates Z: 65 44.529 2.337 0.684 0.497 0.875 0.578 CB 1.621 65 residues pruned to eliminate duplicates Z: 88 47.581 2.317 0.727 0.498 0.851 0.529 CB 1.502 119 residues pruned to eliminate duplicates Z: 78 47.913 2.317 0.759 0.481 0.870 0.494 CB 1.570 78 residues pruned to eliminate duplicates Z: 70 37.249 2.268 0.705 0.396 0.841 0.522 CB 1.539 70 residues pruned to eliminate duplicates Z: 56 48.973 2.362 0.841 0.534 0.891 0.545 CB 1.649 56 residues pruned to eliminate duplicates Z: 53 44.787 2.349 0.858 0.497 0.904 0.615 CB 1.580 53 residues pruned to eliminate duplicates Z: 26 40.394 2.328 1.098 0.637 0.880 0.680 CA 1.653 26 residues pruned to eliminate duplicates Z: 87 54.336 2.282 0.905 0.509 0.860 0.547 CB 1.552 87 residues pruned to eliminate duplicates Z: 54 34.652 2.231 0.855 0.447 0.830 0.491 CB 1.463 54 residues pruned to eliminate duplicates Z: 50 35.953 2.310 0.730 0.501 0.837 0.551 CB 1.535 50 residues pruned to eliminate duplicates Z: 57 47.569 2.312 0.922 0.555 0.911 0.643 CB 1.488 57 residues pruned to eliminate duplicates Z: 44 35.251 2.334 0.833 0.505 0.837 0.581 CB 1.493 44 residues pruned to eliminate duplicates Z: 54 46.879 2.372 0.782 0.572 0.906 0.585 CB 1.569 54 residues pruned to eliminate duplicates Z: 58 41.936 2.372 0.793 0.471 0.877 0.509 CB 1.533 58 residues pruned to eliminate duplicates Z: 43 44.581 2.389 0.864 0.536 0.881 0.595 CB 1.692 43 residues pruned to eliminate duplicates Z: 67 44.913 2.308 0.777 0.492 0.833 0.530 CB 1.631 67 residues pruned to eliminate duplicates Z: 19 10.684 1.836 0.689 0.207 0.778 0.389 CB 1.476 19 residues pruned to eliminate duplicates Z: 57 46.548 2.387 0.844 0.526 0.839 0.536 CB 1.640 57 residues pruned to eliminate duplicates Z: 75 45.280 2.299 0.832 0.485 0.851 0.568 CB 1.490 75 residues pruned to eliminate duplicates Z: 63 52.858 2.394 0.866 0.515 0.871 0.548 CB 1.699 63 residues pruned to eliminate duplicates Z: 76 50.800 2.365 0.805 0.499 0.880 0.587 CB 1.563 76 residues pruned to eliminate duplicates Z: 52 51.922 2.365 0.985 0.556 0.882 0.549 CB 1.662 52 residues pruned to eliminate duplicates Z: 53 44.791 2.283 0.926 0.512 0.885 0.500 CB 1.579 53 residues pruned to eliminate duplicates Z: 142 68.945 2.345 0.755 0.485 0.915 0.567 CB 1.566 142 residues pruned to eliminate duplicates Z: 99 51.955 2.308 0.723 0.474 0.857 0.571 CB 1.582 99 residues pruned to eliminate duplicates Z: 82 45.509 2.268 0.765 0.476 0.852 0.506 CB 1.520 82 residues pruned to eliminate duplicates Z: 52 47.852 2.366 0.926 0.514 0.843 0.549 CB 1.720 52 residues pruned to eliminate duplicates Z: 76 48.762 2.373 0.803 0.469 0.840 0.627 CB 1.617 76 residues pruned to eliminate duplicates Z: 43 41.592 2.350 0.977 0.510 0.833 0.571 CB 1.641 43 residues pruned to eliminate duplicates Z: 78 38.547 2.211 0.654 0.436 0.857 0.481 CB 1.498 78 residues pruned to eliminate duplicates Z: 70 50.400 2.321 0.931 0.531 0.870 0.565 CB 1.510 70 residues pruned to eliminate duplicates Z: 76 53.479 2.302 0.813 0.538 0.880 0.600 CB 1.619 76 residues pruned to eliminate duplicates Z: 133 65.784 2.304 0.799 0.482 0.871 0.591 CB 1.615 133 residues pruned to eliminate duplicates Z: 66 50.200 2.323 0.923 0.539 0.862 0.600 CB 1.557 66 residues pruned to eliminate duplicates Z: 56 46.677 2.319 0.868 0.512 0.873 0.618 CB 1.645 56 residues pruned to eliminate duplicates Z: 56 40.122 2.262 0.735 0.499 0.855 0.564 CB 1.615 56 residues pruned to eliminate duplicates Z: 60 42.465 2.321 0.874 0.534 0.780 0.593 CB 1.576 60 residues pruned to eliminate duplicates Z: 65 42.688 2.288 0.756 0.489 0.828 0.641 CB 1.622 65 residues pruned to eliminate duplicates Z: 55 50.860 2.389 0.918 0.566 0.852 0.574 CB 1.664 55 residues pruned to eliminate duplicates Z: 77 53.832 2.292 0.874 0.567 0.882 0.618 CB 1.529 77 residues pruned to eliminate duplicates Z: 75 48.032 2.381 0.718 0.472 0.865 0.486 CB 1.623 75 residues pruned to eliminate duplicates Z: 22 13.463 1.978 0.251 0.470 0.810 0.333 CB 1.511 22 residues pruned to eliminate duplicates Z: 115 59.036 2.208 0.832 0.518 0.860 0.649 CB 1.562 115 residues pruned to eliminate duplicates Z: 99 55.050 2.311 0.787 0.487 0.857 0.582 CB 1.591 99 residues pruned to eliminate duplicates Z: 63 38.153 2.167 0.653 0.481 0.887 0.629 CB 1.554 63 residues pruned to eliminate duplicates Z: 75 49.837 2.329 0.751 0.496 0.919 0.581 CB 1.552 75 residues pruned to eliminate duplicates Z: 78 50.567 2.312 0.822 0.492 0.857 0.571 CB 1.609 78 residues pruned to eliminate duplicates Z: 70 42.584 2.219 0.906 0.476 0.812 0.507 CB 1.529 70 residues pruned to eliminate duplicates Z: 75 48.761 2.301 0.676 0.473 0.946 0.541 CB 1.598 75 residues pruned to eliminate duplicates Z: 74 49.161 2.323 0.604 0.513 0.918 0.548 CB 1.660 74 residues pruned to eliminate duplicates Z: 61 41.580 2.234 0.658 0.514 0.933 0.617 CB 1.531 61 residues pruned to eliminate duplicates Z: 10 9.752 1.954 0.809 0.543 0.667 0.556 CB 1.323 10 residues pruned to eliminate duplicates Z: 14 13.709 1.931 1.126 0.425 0.692 0.385 CB 1.446 14 residues pruned to eliminate duplicates Z: 24 29.576 2.227 0.735 0.594 0.913 0.696 CB 1.598 24 residues pruned to eliminate duplicates Z: 26 27.307 2.203 0.633 0.556 0.920 0.760 CB 1.562 26 residues pruned to eliminate duplicates Z: 23 24.006 2.209 0.571 0.544 0.909 0.727 CB 1.554 23 residues pruned to eliminate duplicates Z: 35 29.809 2.215 0.685 0.533 0.824 0.647 CB 1.610 35 residues pruned to eliminate duplicates Z: 22 15.790 2.164 0.340 0.433 0.810 0.619 CB 1.574 22 residues pruned to eliminate duplicates Z: 36 30.451 2.206 0.648 0.520 0.857 0.600 CA 1.620 36 residues pruned to eliminate duplicates Z: 26 28.326 2.169 0.635 0.570 0.920 0.720 CB 1.624 26 residues pruned to eliminate duplicates Z: 21 21.433 2.197 0.546 0.501 0.850 0.600 CA 1.659 21 residues pruned to eliminate duplicates Z: 23 27.501 2.232 0.689 0.577 0.909 0.682 CB 1.588 23 residues pruned to eliminate duplicates Z: 40 28.860 2.052 0.752 0.521 0.846 0.615 CB 1.488 40 residues pruned to eliminate duplicates Z: 18 19.713 2.245 0.519 0.454 0.882 0.647 CB 1.665 18 residues pruned to eliminate duplicates Z: 26 28.993 2.133 0.771 0.591 0.920 0.720 CB 1.530 26 residues pruned to eliminate duplicates Z: 12 6.127 1.669 0.577 0.203 0.727 0.364 CA 1.372 12 residues pruned to eliminate duplicates Z: 11 5.235 1.913 0.249 0.230 0.800 0.500 CB 1.186 11 residues pruned to eliminate duplicates Z: 20 19.369 2.203 0.492 0.481 0.842 0.684 CB 1.636 20 residues pruned to eliminate duplicates Z: 55 39.499 2.273 0.585 0.475 0.944 0.611 CB 1.621 55 residues pruned to eliminate duplicates Z: 60 42.516 2.298 0.583 0.510 0.966 0.610 CB 1.559 60 residues pruned to eliminate duplicates Z: 40 33.270 2.257 0.691 0.555 0.872 0.590 CB 1.518 40 residues pruned to eliminate duplicates Z: 76 53.203 2.319 0.746 0.530 0.920 0.653 CB 1.601 76 residues pruned to eliminate duplicates Z: 54 45.743 2.375 0.657 0.464 0.962 0.472 CB 1.722 54 residues pruned to eliminate duplicates Z: 51 38.036 2.255 0.641 0.529 0.940 0.620 CB 1.502 51 residues pruned to eliminate duplicates Z: 56 44.393 2.363 0.601 0.482 0.945 0.600 CB 1.704 56 residues pruned to eliminate duplicates Z: 17 16.868 2.157 0.653 0.455 0.812 0.375 CA 1.524 17 residues pruned to eliminate duplicates Z: 31 28.853 2.319 0.606 0.453 0.900 0.467 CB 1.650 31 residues pruned to eliminate duplicates Z: 70 49.902 2.349 0.654 0.478 0.942 0.507 CB 1.678 70 residues pruned to eliminate duplicates Z: 53 47.280 2.369 0.652 0.487 0.981 0.577 CA 1.732 53 residues pruned to eliminate duplicates Z: 15 15.787 2.261 0.676 0.444 0.786 0.429 CA 1.502 15 residues pruned to eliminate duplicates Z: 20 18.624 2.294 0.759 0.414 0.684 0.316 CB 1.692 20 residues pruned to eliminate duplicates Z: 36 34.701 2.311 0.622 0.457 1.000 0.514 CB 1.635 36 residues pruned to eliminate duplicates Z: 35 30.376 2.213 0.639 0.474 0.912 0.588 CB 1.617 35 residues pruned to eliminate duplicates Z: 46 25.023 2.087 0.543 0.414 0.867 0.511 CB 1.462 46 residues pruned to eliminate duplicates Z: 61 43.676 2.267 0.598 0.499 0.967 0.600 CB 1.613 61 residues pruned to eliminate duplicates Z: 55 37.740 2.296 0.679 0.455 0.870 0.593 CB 1.602 55 residues pruned to eliminate duplicates Z: 51 43.680 2.362 0.658 0.484 0.940 0.560 CB 1.705 51 residues pruned to eliminate duplicates Z: 53 37.996 2.245 0.614 0.469 0.904 0.615 CB 1.661 53 residues pruned to eliminate duplicates Z: 40 31.623 2.309 0.442 0.438 0.949 0.487 CB 1.709 40 residues pruned to eliminate duplicates Z: 54 35.063 2.251 0.533 0.410 0.925 0.472 CA 1.660 54 residues pruned to eliminate duplicates Z: 20 19.515 2.323 0.395 0.383 1.000 0.421 CB 1.564 20 residues pruned to eliminate duplicates Z: 17 15.771 2.162 0.342 0.334 1.000 0.500 CA 1.630 17 residues pruned to eliminate duplicates Z: 19 12.836 2.018 0.399 0.311 0.889 0.556 CA 1.486 19 residues pruned to eliminate duplicates Z: 56 39.457 2.262 0.600 0.469 0.945 0.545 CB 1.605 56 residues pruned to eliminate duplicates Z: 24 11.905 1.952 0.229 0.354 0.913 0.478 CB 1.328 24 residues pruned to eliminate duplicates Z: 38 30.930 2.334 0.480 0.439 0.946 0.514 CB 1.656 38 residues pruned to eliminate duplicates Z: 17 17.921 2.234 0.488 0.370 0.938 0.688 CB 1.653 17 residues pruned to eliminate duplicates Z: 40 33.209 2.336 0.387 0.479 0.974 0.641 CB 1.721 40 residues pruned to eliminate duplicates Z: 61 40.888 2.237 0.657 0.480 0.917 0.517 CB 1.585 61 residues pruned to eliminate duplicates Z: 58 38.099 2.249 0.625 0.428 0.947 0.561 CB 1.571 58 residues pruned to eliminate duplicates Z: 18 18.935 2.176 0.333 0.438 1.000 0.647 CB 1.689 18 residues pruned to eliminate duplicates Z: 18 16.202 2.041 0.736 0.371 0.882 0.412 CB 1.444 18 residues pruned to eliminate duplicates Z: 58 38.156 2.293 0.572 0.397 0.912 0.439 CB 1.713 58 residues pruned to eliminate duplicates Z: 19 15.549 2.127 0.193 0.412 0.944 0.556 CB 1.678 19 residues pruned to eliminate duplicates Z: 54 44.752 2.393 0.660 0.443 0.943 0.509 CB 1.739 54 residues pruned to eliminate duplicates Z: 37 31.796 2.320 0.655 0.457 0.917 0.556 CB 1.574 37 residues pruned to eliminate duplicates Z: 21 31.618 2.271 1.030 0.551 0.900 0.650 CA 1.620 21 residues pruned to eliminate duplicates Z: 21 29.525 2.375 0.840 0.477 0.900 0.600 CA 1.717 21 residues pruned to eliminate duplicates Z: 54 39.818 2.340 0.628 0.444 0.925 0.528 CB 1.645 54 residues pruned to eliminate duplicates Z: 51 35.626 2.344 0.628 0.435 0.900 0.520 CB 1.569 51 residues pruned to eliminate duplicates Z: 56 42.987 2.359 0.639 0.477 0.945 0.527 CB 1.623 56 residues pruned to eliminate duplicates Z: 89 57.851 2.253 0.775 0.530 0.943 0.625 CB 1.588 89 residues pruned to eliminate duplicates Z: 76 55.148 2.332 0.681 0.510 0.960 0.653 CB 1.676 76 residues pruned to eliminate duplicates Z: 83 50.607 2.317 0.861 0.435 0.878 0.622 CB 1.579 83 residues pruned to eliminate duplicates Z: 21 24.629 2.310 0.693 0.425 0.950 0.500 CB 1.602 21 residues pruned to eliminate duplicates Z: 54 41.580 2.349 0.675 0.458 0.925 0.604 CB 1.638 54 residues pruned to eliminate duplicates Z: 54 38.453 2.342 0.513 0.449 0.943 0.585 CB 1.664 54 residues pruned to eliminate duplicates Z: 18 32.420 2.469 0.667 0.557 1.000 0.647 CB 1.806 18 residues pruned to eliminate duplicates Z: 50 35.626 2.345 0.521 0.449 0.918 0.490 CB 1.637 50 residues pruned to eliminate duplicates Z: 57 43.550 2.336 0.617 0.460 0.946 0.607 CB 1.695 57 residues pruned to eliminate duplicates Z: 87 53.383 2.256 0.800 0.496 0.919 0.640 CB 1.549 87 residues pruned to eliminate duplicates Z: 47 33.805 2.303 0.728 0.427 0.891 0.609 CB 1.516 47 residues pruned to eliminate duplicates Z: 11 20.662 2.160 1.063 0.529 0.900 0.400 CB 1.583 11 residues pruned to eliminate duplicates Z: 13 16.796 2.052 0.971 0.432 0.917 0.500 CB 1.403 13 residues pruned to eliminate duplicates Z: 12 12.502 2.056 1.041 0.456 0.818 0.364 CB 1.149 12 residues pruned to eliminate duplicates Z: 11 14.578 2.144 1.182 0.487 0.800 0.500 CB 1.248 11 residues pruned to eliminate duplicates Z: 14 16.473 2.003 0.642 0.520 0.923 0.538 CB 1.476 14 residues pruned to eliminate duplicates Z: 10 18.803 2.196 0.915 0.602 0.778 0.556 CB 1.739 10 residues pruned to eliminate duplicates Z: 15 18.825 2.048 1.203 0.420 0.786 0.571 CB 1.542 15 residues pruned to eliminate duplicates Z: 13 16.056 2.018 0.946 0.518 0.833 0.583 CB 1.391 13 residues pruned to eliminate duplicates Z: 12 14.108 1.977 0.707 0.555 0.818 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 10 9.530 1.677 1.024 0.464 0.778 0.667 CB 1.248 9 residues pruned to eliminate duplicates Z: 6 3.033 1.237 0.707 0.294 0.800 0.800 C 1.011 6 residues pruned to eliminate duplicates Z: 24 22.642 2.043 0.650 0.579 0.870 0.696 CB 1.493 24 residues pruned to eliminate duplicates Z: 23 27.332 2.100 0.759 0.599 0.909 0.682 CB 1.579 23 residues pruned to eliminate duplicates Z: 23 22.463 2.036 0.600 0.559 0.909 0.682 CB 1.528 23 residues pruned to eliminate duplicates Z: 23 30.329 2.103 0.812 0.599 0.955 0.727 CB 1.617 23 residues pruned to eliminate duplicates Z: 17 24.220 2.068 0.908 0.578 0.938 0.562 CB 1.519 17 residues pruned to eliminate duplicates Z: 23 26.040 2.089 0.765 0.585 0.864 0.727 CB 1.607 23 residues pruned to eliminate duplicates Z: 24 27.417 2.061 0.785 0.591 0.913 0.696 CB 1.561 24 residues pruned to eliminate duplicates Z: 23 32.873 2.105 0.875 0.653 0.955 0.818 CB 1.613 23 residues pruned to eliminate duplicates Z: 24 29.025 2.048 0.882 0.587 0.913 0.739 CB 1.583 24 residues pruned to eliminate duplicates Z: 24 27.520 2.053 0.877 0.606 0.870 0.739 CB 1.548 24 residues pruned to eliminate duplicates Z: 24 24.396 2.010 0.884 0.566 0.826 0.652 CB 1.526 24 residues pruned to eliminate duplicates Z: 23 31.793 2.110 0.874 0.648 0.955 0.773 CB 1.564 23 residues pruned to eliminate duplicates Z: 24 25.798 2.054 0.851 0.596 0.870 0.739 CB 1.485 24 residues pruned to eliminate duplicates Z: 24 26.310 2.045 0.922 0.600 0.870 0.783 CB 1.460 24 residues pruned to eliminate duplicates Z: 23 26.802 2.042 0.912 0.586 0.864 0.682 CB 1.561 23 residues pruned to eliminate duplicates Z: 23 32.499 2.112 0.941 0.633 0.955 0.773 CB 1.562 23 residues pruned to eliminate duplicates Z: 9 14.997 1.868 0.784 0.659 0.875 0.625 N 1.569 9 residues pruned to eliminate duplicates Z: 9 14.570 2.029 0.507 0.688 1.000 0.750 CA 1.418 9 residues pruned to eliminate duplicates Z: 31 23.002 2.077 0.684 0.526 0.833 0.567 CB 1.404 31 residues pruned to eliminate duplicates Z: 23 20.234 1.924 0.695 0.560 0.955 0.545 CB 1.308 23 residues pruned to eliminate duplicates Z: 12 13.580 1.864 0.744 0.525 0.909 0.545 CB 1.353 12 residues pruned to eliminate duplicates Z: 20 22.204 2.089 0.871 0.493 0.895 0.526 CA 1.467 20 residues pruned to eliminate duplicates Z: 19 20.410 2.133 0.556 0.573 0.944 0.667 CB 1.430 19 residues pruned to eliminate duplicates Z: 23 16.340 1.941 0.574 0.446 0.909 0.591 CB 1.326 23 residues pruned to eliminate duplicates Z: 21 19.248 2.044 0.537 0.461 0.950 0.450 CB 1.501 21 residues pruned to eliminate duplicates Z: 20 25.456 2.110 0.691 0.599 0.947 0.737 CB 1.572 20 residues pruned to eliminate duplicates Z: 26 14.696 1.894 0.448 0.419 0.920 0.480 CB 1.268 26 residues pruned to eliminate duplicates Z: 19 20.287 2.097 0.585 0.545 0.889 0.556 CA 1.548 19 residues pruned to eliminate duplicates Z: 23 26.984 1.983 0.942 0.557 0.955 0.545 CB 1.481 23 residues pruned to eliminate duplicates Z: 19 23.632 2.156 0.641 0.591 0.944 0.833 CA 1.528 19 residues pruned to eliminate duplicates Z: 17 18.823 2.073 0.591 0.591 0.875 0.625 CA 1.494 17 residues pruned to eliminate duplicates Z: 29 20.171 2.065 0.723 0.438 0.786 0.500 CB 1.454 36 residues pruned to eliminate duplicates Z: 6 6.043 1.884 0.693 0.283 1.000 0.400 CA 1.083 6 residues pruned to eliminate duplicates Z: 19 23.135 2.198 0.787 0.521 1.000 0.611 CB 1.360 19 residues pruned to eliminate duplicates Z: 20 21.743 2.208 0.879 0.490 0.895 0.632 CB 1.357 20 residues pruned to eliminate duplicates Z: 21 20.038 2.173 0.818 0.482 0.900 0.650 CB 1.284 21 residues pruned to eliminate duplicates Z: 19 23.787 2.249 0.833 0.517 0.944 0.667 CB 1.415 19 residues pruned to eliminate duplicates Z: 21 17.788 2.119 0.705 0.454 0.950 0.550 CB 1.214 21 residues pruned to eliminate duplicates Z: 19 23.258 2.241 0.906 0.542 0.889 0.722 CB 1.385 19 residues pruned to eliminate duplicates Z: 19 23.541 2.250 1.011 0.527 0.944 0.722 CB 1.264 19 residues pruned to eliminate duplicates Z: 19 21.427 2.227 0.850 0.543 0.944 0.722 CB 1.244 19 residues pruned to eliminate duplicates Z: 15 9.404 2.169 0.648 0.388 0.714 0.429 CB 1.109 15 residues pruned to eliminate duplicates Z: 25 17.185 1.929 0.850 0.453 0.875 0.500 CB 1.179 25 residues pruned to eliminate duplicates Z: 20 11.912 1.911 0.619 0.359 0.789 0.526 CB 1.301 20 residues pruned to eliminate duplicates Z: 23 17.153 2.119 0.617 0.493 0.818 0.545 CB 1.314 23 residues pruned to eliminate duplicates Z: 33 22.840 2.084 0.698 0.439 0.906 0.531 CB 1.341 33 residues pruned to eliminate duplicates Z: 18 13.558 1.929 0.552 0.455 0.941 0.471 CB 1.223 18 residues pruned to eliminate duplicates Z: 34 25.305 2.072 0.707 0.473 1.000 0.667 CB 1.280 34 residues pruned to eliminate duplicates Z: 24 22.442 2.171 0.930 0.528 0.870 0.609 CB 1.249 24 residues pruned to eliminate duplicates Z: 34 20.912 2.105 0.684 0.455 0.879 0.576 CB 1.224 34 residues pruned to eliminate duplicates Z: 27 20.941 2.121 0.673 0.533 0.923 0.654 CB 1.214 27 residues pruned to eliminate duplicates Z: 10 10.936 1.983 0.631 0.423 0.889 0.556 CB 1.374 10 residues pruned to eliminate duplicates Z: 9 8.741 1.769 0.742 0.361 1.000 0.250 CB 1.165 9 residues pruned to eliminate duplicates Z: 19 14.468 1.840 0.640 0.416 0.889 0.500 CB 1.388 19 residues pruned to eliminate duplicates Z: 10 7.714 1.666 0.323 0.532 0.889 0.444 CA 1.272 451 residues left after pruning, divided into chains as follows: A: 24 B: 11 C: 219 D: 132 E: 58 F: 7 CC for partial structure against native data = 40.21 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.449, Connect. = 0.709 for dens.mod. cycle 1 = 0.300, Contrast = 0.511, Connect. = 0.735 for dens.mod. cycle 2 = 0.300, Contrast = 0.613, Connect. = 0.771 for dens.mod. cycle 3 = 0.300, Contrast = 0.620, Connect. = 0.773 for dens.mod. cycle 4 = 0.300, Contrast = 0.630, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.634, Connect. = 0.777 for dens.mod. cycle 6 = 0.300, Contrast = 0.639, Connect. = 0.778 for dens.mod. cycle 7 = 0.300, Contrast = 0.641, Connect. = 0.780 for dens.mod. cycle 8 = 0.300, Contrast = 0.643, Connect. = 0.781 for dens.mod. cycle 9 = 0.300, Contrast = 0.644, Connect. = 0.781 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3178 peaks > 0.5 sigma used to seed fragment search Space for about 642 unique residues taking solvent into account 659 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 64 46.059 2.353 0.923 0.460 0.905 0.571 CB 1.478 B: 58 45.739 2.355 0.913 0.486 0.912 0.649 CB 1.495 58 residues pruned to eliminate duplicates C: 12 20.399 2.125 1.109 0.537 0.909 0.545 CB 1.456 D: 22 26.909 2.237 1.200 0.463 0.857 0.524 CB 1.446 12 residues pruned to eliminate duplicates E: 87 42.989 2.252 0.750 0.476 0.837 0.558 CB 1.439 F: 11 28.151 2.226 1.291 0.628 1.000 0.500 CB 1.547 11 residues pruned to eliminate duplicates G: 35 42.443 2.371 1.064 0.557 0.882 0.706 CB 1.595 35 residues pruned to eliminate duplicates H: 54 41.235 2.368 0.960 0.479 0.849 0.585 CB 1.468 54 residues pruned to eliminate duplicates I: 39 36.510 2.267 0.786 0.449 0.947 0.553 CB 1.628 J: 20 18.272 2.072 0.712 0.519 0.895 0.684 CB 1.297 K: 8 15.405 1.893 1.130 0.612 1.000 0.857 CA 1.299 L: 77 49.611 2.295 0.715 0.456 0.921 0.553 CB 1.641 39 residues pruned to eliminate duplicates M: 14 10.288 1.791 0.753 0.500 0.846 0.538 CB 1.074 6 residues pruned to eliminate duplicates N: 24 27.174 2.055 0.685 0.642 0.870 0.652 CB 1.648 O: 21 13.230 2.079 1.159 0.264 0.800 0.400 CB 1.079 21 residues pruned to eliminate duplicates P: 8 13.991 1.919 1.149 0.550 0.857 0.857 CB 1.425 8 residues pruned to eliminate duplicates Q: 49 35.270 2.328 0.798 0.454 0.833 0.542 CB 1.530 49 residues pruned to eliminate duplicates R: 12 15.170 1.924 0.845 0.393 0.909 0.455 CB 1.586 12 residues pruned to eliminate duplicates S: 56 43.563 2.370 0.592 0.453 0.964 0.564 CB 1.696 56 residues pruned to eliminate duplicates T: 65 47.868 2.255 0.908 0.505 0.906 0.641 CB 1.527 48 residues pruned to eliminate duplicates U: 13 14.745 2.292 0.872 0.388 0.750 0.417 CB 1.490 17 residues pruned to eliminate duplicates V: 21 15.858 1.796 0.525 0.593 0.850 0.600 CB 1.394 21 residues pruned to eliminate duplicates W: 38 39.861 2.194 0.874 0.614 0.973 0.730 CB 1.470 X: 57 42.776 2.335 0.678 0.456 0.929 0.464 CB 1.643 57 residues pruned to eliminate duplicates Y: 52 45.398 2.353 0.876 0.524 0.961 0.647 CB 1.464 52 residues pruned to eliminate duplicates Z: 9 20.324 2.133 0.775 0.849 0.875 0.750 CB 1.609 Z: 19 12.628 2.033 0.439 0.409 0.778 0.444 CB 1.439 19 residues pruned to eliminate duplicates Z: 73 46.388 2.233 0.820 0.468 0.889 0.611 CB 1.562 74 residues pruned to eliminate duplicates Z: 49 43.098 2.326 0.905 0.503 0.917 0.646 CB 1.527 49 residues pruned to eliminate duplicates Z: 77 47.403 2.285 0.824 0.480 0.895 0.539 CB 1.488 86 residues pruned to eliminate duplicates Z: 77 47.363 2.296 0.650 0.495 0.895 0.645 CB 1.611 77 residues pruned to eliminate duplicates Z: 89 47.278 2.249 0.729 0.505 0.886 0.580 CB 1.455 87 residues pruned to eliminate duplicates Z: 16 17.743 2.027 0.736 0.394 1.000 0.400 CB 1.457 17 residues pruned to eliminate duplicates Z: 39 28.291 2.208 0.543 0.508 0.842 0.579 CB 1.588 39 residues pruned to eliminate duplicates Z: 20 20.145 2.054 0.686 0.501 0.947 0.632 CB 1.408 20 residues pruned to eliminate duplicates Z: 56 42.521 2.280 0.778 0.491 0.873 0.455 CB 1.635 56 residues pruned to eliminate duplicates Z: 17 16.954 2.060 0.594 0.519 0.938 0.562 CA 1.351 17 residues pruned to eliminate duplicates Z: 25 24.254 1.982 0.704 0.587 0.875 0.667 CB 1.540 25 residues pruned to eliminate duplicates Z: 10 5.234 1.863 -0.039 0.398 0.778 0.444 CB 1.395 10 residues pruned to eliminate duplicates Z: 76 46.393 2.259 0.862 0.498 0.840 0.600 CB 1.519 76 residues pruned to eliminate duplicates Z: 7 8.260 1.920 0.196 0.721 1.000 0.667 CB 1.202 7 residues pruned to eliminate duplicates Z: 19 19.769 2.176 0.871 0.484 0.833 0.611 CB 1.396 19 residues pruned to eliminate duplicates Z: 6 10.240 2.126 0.478 0.475 1.000 0.800 CA 1.495 6 residues pruned to eliminate duplicates Z: 13 14.124 1.906 1.121 0.476 0.833 0.583 CB 1.240 13 residues pruned to eliminate duplicates Z: 65 44.279 2.361 0.881 0.478 0.891 0.656 CB 1.430 65 residues pruned to eliminate duplicates Z: 60 40.911 2.285 0.608 0.512 0.881 0.593 CB 1.625 60 residues pruned to eliminate duplicates Z: 10 15.247 1.956 1.457 0.560 0.778 0.556 CA 1.282 10 residues pruned to eliminate duplicates Z: 50 38.568 2.324 0.784 0.478 0.898 0.592 CB 1.514 50 residues pruned to eliminate duplicates Z: 35 24.387 2.034 0.739 0.498 0.853 0.618 CB 1.390 34 residues pruned to eliminate duplicates Z: 19 24.000 2.203 1.035 0.565 0.889 0.611 CB 1.334 Z: 12 13.266 2.133 0.500 0.352 0.909 0.636 CB 1.613 12 residues pruned to eliminate duplicates Z: 69 41.539 2.301 0.659 0.505 0.853 0.632 CB 1.539 76 residues pruned to eliminate duplicates Z: 24 27.363 2.066 0.586 0.597 0.913 0.696 CB 1.739 24 residues pruned to eliminate duplicates Z: 58 44.883 2.198 0.827 0.526 0.912 0.596 CB 1.581 57 residues pruned to eliminate duplicates Z: 29 19.624 2.124 0.491 0.477 0.857 0.607 CB 1.399 29 residues pruned to eliminate duplicates Z: 12 4.998 1.744 0.734 0.372 0.636 0.364 CB 0.899 Z: 79 48.181 2.272 0.658 0.487 0.897 0.577 CB 1.635 79 residues pruned to eliminate duplicates Z: 61 36.468 2.264 0.879 0.442 0.817 0.550 CB 1.439 61 residues pruned to eliminate duplicates Z: 13 15.187 1.944 1.018 0.518 0.917 0.500 CB 1.198 Z: 17 16.663 2.344 0.795 0.371 0.812 0.500 CB 1.399 12 residues pruned to eliminate duplicates Z: 65 47.870 2.301 0.762 0.472 0.938 0.625 CB 1.620 65 residues pruned to eliminate duplicates Z: 7 11.863 2.295 0.602 0.563 0.833 0.667 CB 1.488 6 residues pruned to eliminate duplicates Z: 16 24.616 2.273 1.118 0.538 0.933 0.733 CB 1.362 17 residues pruned to eliminate duplicates Z: 24 29.158 2.077 0.659 0.606 0.957 0.696 CB 1.667 24 residues pruned to eliminate duplicates Z: 51 44.262 2.340 1.000 0.496 0.860 0.600 CB 1.561 52 residues pruned to eliminate duplicates Z: 19 24.181 2.201 0.807 0.517 0.944 0.611 CB 1.492 18 residues pruned to eliminate duplicates Z: 45 39.931 2.302 0.809 0.501 0.886 0.568 CB 1.630 45 residues pruned to eliminate duplicates Z: 11 18.783 2.120 0.936 0.813 0.800 0.600 CB 1.378 Z: 24 24.720 2.074 0.649 0.590 0.826 0.739 CB 1.674 24 residues pruned to eliminate duplicates Z: 76 50.211 2.315 0.621 0.498 0.933 0.667 CB 1.659 77 residues pruned to eliminate duplicates Z: 12 13.217 2.290 0.661 0.352 0.909 0.545 CB 1.353 12 residues pruned to eliminate duplicates Z: 11 21.323 2.096 0.866 0.845 0.800 0.500 CA 1.602 9 residues pruned to eliminate duplicates Z: 30 16.893 1.973 0.544 0.530 0.862 0.690 CB 1.160 Z: 19 23.444 2.190 0.927 0.474 0.889 0.556 CB 1.512 19 residues pruned to eliminate duplicates Z: 76 56.032 2.310 0.706 0.531 0.973 0.653 CB 1.637 76 residues pruned to eliminate duplicates Z: 102 49.053 2.217 0.756 0.484 0.851 0.634 CB 1.497 89 residues pruned to eliminate duplicates Z: 7 14.254 2.354 0.528 0.661 0.833 0.833 CA 1.673 7 residues pruned to eliminate duplicates Z: 18 26.603 2.237 1.017 0.468 0.882 0.765 CB 1.675 18 residues pruned to eliminate duplicates Z: 7 8.126 1.911 0.157 0.738 1.000 1.000 CB 1.212 7 residues pruned to eliminate duplicates Z: 40 30.630 2.253 0.578 0.455 0.897 0.513 CB 1.611 40 residues pruned to eliminate duplicates Z: 57 45.956 2.324 0.683 0.479 0.946 0.500 CB 1.695 57 residues pruned to eliminate duplicates Z: 48 32.539 2.118 0.748 0.475 0.915 0.660 CB 1.437 113 residues pruned to eliminate duplicates Z: 70 42.716 2.235 0.809 0.530 0.855 0.594 CB 1.445 70 residues pruned to eliminate duplicates Z: 23 22.131 2.033 0.775 0.560 0.909 0.636 CB 1.356 23 residues pruned to eliminate duplicates Z: 35 44.819 2.307 1.153 0.588 0.941 0.676 CB 1.512 35 residues pruned to eliminate duplicates Z: 19 23.308 2.172 0.944 0.548 0.889 0.611 CB 1.396 19 residues pruned to eliminate duplicates Z: 12 9.272 1.830 0.584 0.595 0.727 0.636 CB 1.211 12 residues pruned to eliminate duplicates Z: 49 35.360 2.234 0.701 0.458 0.833 0.500 CB 1.682 49 residues pruned to eliminate duplicates Z: 34 22.542 2.031 0.663 0.460 0.879 0.545 CB 1.377 32 residues pruned to eliminate duplicates Z: 15 16.934 1.944 0.686 0.550 0.857 0.643 CB 1.534 12 residues pruned to eliminate duplicates Z: 43 46.649 2.316 0.889 0.517 0.952 0.548 CB 1.699 43 residues pruned to eliminate duplicates Z: 51 25.593 2.050 0.444 0.423 0.900 0.540 CB 1.472 51 residues pruned to eliminate duplicates Z: 6 6.496 2.067 -0.045 0.767 1.000 0.800 CB 1.161 6 residues pruned to eliminate duplicates Z: 36 23.692 2.100 0.524 0.443 0.914 0.629 CB 1.451 36 residues pruned to eliminate duplicates Z: 19 21.305 2.153 0.862 0.550 0.889 0.556 CB 1.343 19 residues pruned to eliminate duplicates Z: 38 23.542 2.085 0.542 0.493 0.892 0.676 CB 1.359 39 residues pruned to eliminate duplicates Z: 10 13.263 2.139 0.820 0.453 0.778 0.444 CA 1.531 10 residues pruned to eliminate duplicates Z: 23 21.395 2.026 0.877 0.491 0.909 0.545 CB 1.332 23 residues pruned to eliminate duplicates Z: 20 24.368 2.348 0.434 0.477 0.947 0.421 CB 1.795 20 residues pruned to eliminate duplicates Z: 17 15.533 2.159 0.368 0.319 1.000 0.500 CB 1.606 Z: 78 42.064 2.225 0.640 0.407 0.883 0.558 CB 1.640 95 residues pruned to eliminate duplicates Z: 12 5.500 1.895 0.249 0.389 0.727 0.636 CB 1.084 12 residues pruned to eliminate duplicates Z: 10 11.576 1.765 0.809 0.468 0.889 0.667 CB 1.405 10 residues pruned to eliminate duplicates Z: 20 16.060 2.087 0.598 0.445 0.842 0.684 CB 1.388 19 residues pruned to eliminate duplicates Z: 21 21.910 2.156 1.190 0.501 0.750 0.550 CB 1.382 Z: 25 25.928 2.204 0.655 0.525 0.875 0.667 CA 1.617 25 residues pruned to eliminate duplicates Z: 13 12.346 2.021 0.485 0.477 0.833 0.583 CB 1.459 13 residues pruned to eliminate duplicates Z: 10 20.744 2.158 1.052 0.881 0.667 0.556 CA 1.695 10 residues pruned to eliminate duplicates Z: 32 35.919 2.307 1.021 0.529 0.871 0.645 CB 1.543 32 residues pruned to eliminate duplicates Z: 8 11.168 1.891 0.556 0.661 1.000 0.714 CB 1.235 8 residues pruned to eliminate duplicates Z: 64 44.708 2.312 0.681 0.475 0.921 0.540 CB 1.615 64 residues pruned to eliminate duplicates Z: 57 41.113 2.305 0.790 0.542 0.857 0.518 CB 1.491 57 residues pruned to eliminate duplicates Z: 11 18.891 2.067 0.558 0.868 0.900 0.500 CA 1.507 11 residues pruned to eliminate duplicates Z: 20 17.562 2.016 1.168 0.444 0.842 0.684 CB 1.160 20 residues pruned to eliminate duplicates Z: 79 48.602 2.258 0.870 0.487 0.872 0.577 CB 1.516 79 residues pruned to eliminate duplicates Z: 53 45.046 2.340 0.665 0.466 0.962 0.635 CB 1.725 Z: 14 23.883 2.172 1.021 0.549 1.000 0.769 CB 1.439 14 residues pruned to eliminate duplicates Z: 13 8.986 1.772 0.534 0.530 0.833 0.667 CB 1.112 Z: 50 43.149 2.377 0.581 0.470 0.980 0.531 CB 1.726 55 residues pruned to eliminate duplicates Z: 9 11.390 2.111 0.545 0.593 0.875 0.500 CB 1.290 9 residues pruned to eliminate duplicates Z: 9 7.854 2.221 0.290 0.453 0.625 0.375 CB 1.628 9 residues pruned to eliminate duplicates Z: 53 42.938 2.250 0.806 0.578 0.827 0.558 CB 1.644 53 residues pruned to eliminate duplicates Z: 70 42.910 2.324 0.546 0.457 0.899 0.536 CB 1.671 139 residues pruned to eliminate duplicates Z: 61 44.013 2.348 0.915 0.461 0.850 0.650 CB 1.546 61 residues pruned to eliminate duplicates Z: 29 18.583 1.918 0.693 0.445 0.857 0.536 CB 1.336 29 residues pruned to eliminate duplicates Z: 59 44.995 2.309 0.651 0.510 0.931 0.603 CB 1.649 59 residues pruned to eliminate duplicates Z: 21 16.555 2.021 0.399 0.486 0.900 0.550 CB 1.476 21 residues pruned to eliminate duplicates Z: 11 16.577 1.999 0.655 0.814 0.900 0.600 CA 1.340 11 residues pruned to eliminate duplicates Z: 11 5.824 1.900 0.126 0.379 0.800 0.600 CB 1.224 41 residues pruned to eliminate duplicates Z: 43 37.694 2.268 0.923 0.501 0.857 0.548 CB 1.555 43 residues pruned to eliminate duplicates Z: 22 21.187 2.066 0.719 0.557 0.952 0.429 CB 1.293 Z: 69 46.898 2.314 0.694 0.487 0.897 0.588 CB 1.638 69 residues pruned to eliminate duplicates Z: 13 12.865 1.708 0.705 0.593 0.833 0.833 CB 1.400 Z: 28 24.985 2.086 0.664 0.543 0.926 0.630 CB 1.434 28 residues pruned to eliminate duplicates Z: 19 10.374 1.712 0.723 0.409 0.833 0.722 CB 1.094 23 residues pruned to eliminate duplicates Z: 14 12.973 2.089 0.552 0.414 0.846 0.692 CB 1.435 14 residues pruned to eliminate duplicates Z: 18 17.523 2.109 0.562 0.351 0.941 0.588 CB 1.610 Z: 75 41.897 2.329 0.686 0.463 0.811 0.581 CB 1.589 75 residues pruned to eliminate duplicates Z: 60 37.064 2.253 0.719 0.471 0.847 0.508 CB 1.514 60 residues pruned to eliminate duplicates Z: 10 16.616 2.159 0.789 0.814 0.667 0.556 CA 1.636 10 residues pruned to eliminate duplicates Z: 13 10.606 1.786 0.749 0.495 0.833 0.417 CB 1.182 14 residues pruned to eliminate duplicates Z: 133 72.787 2.337 0.762 0.521 0.917 0.530 CB 1.644 79 residues pruned to eliminate duplicates Z: 24 27.859 2.055 0.852 0.606 0.870 0.696 CB 1.588 24 residues pruned to eliminate duplicates Z: 56 49.272 2.380 0.796 0.535 0.909 0.509 CB 1.652 56 residues pruned to eliminate duplicates Z: 79 49.827 2.248 0.713 0.473 0.923 0.551 CB 1.630 79 residues pruned to eliminate duplicates Z: 23 28.370 2.078 0.680 0.622 0.909 0.818 CB 1.698 24 residues pruned to eliminate duplicates Z: 18 11.148 1.803 0.475 0.452 0.882 0.765 CB 1.210 18 residues pruned to eliminate duplicates Z: 50 27.342 2.164 0.549 0.410 0.796 0.551 CB 1.609 50 residues pruned to eliminate duplicates Z: 15 15.870 1.840 1.136 0.611 0.786 0.571 CB 1.237 15 residues pruned to eliminate duplicates Z: 13 12.072 1.884 0.674 0.444 0.917 0.667 CB 1.277 13 residues pruned to eliminate duplicates Z: 39 29.051 1.996 0.760 0.537 0.921 0.526 CB 1.405 39 residues pruned to eliminate duplicates Z: 24 44.724 2.345 1.116 0.650 0.957 0.696 CB 1.709 24 residues pruned to eliminate duplicates Z: 8 8.164 1.858 0.454 0.522 0.857 0.429 CA 1.305 8 residues pruned to eliminate duplicates Z: 17 10.493 1.751 0.553 0.391 0.875 0.500 CB 1.238 Z: 57 42.473 2.256 0.646 0.510 0.946 0.679 CB 1.599 75 residues pruned to eliminate duplicates Z: 17 14.417 2.083 0.414 0.461 0.938 0.500 CB 1.359 Z: 27 25.782 2.184 0.661 0.535 0.885 0.654 CB 1.523 27 residues pruned to eliminate duplicates Z: 80 42.441 2.230 0.816 0.480 0.848 0.582 CB 1.418 62 residues pruned to eliminate duplicates Z: 26 31.439 2.361 0.723 0.522 0.920 0.480 CB 1.644 43 residues pruned to eliminate duplicates Z: 7 8.560 2.034 0.466 0.489 0.833 0.833 CB 1.422 7 residues pruned to eliminate duplicates Z: 56 33.573 2.228 0.593 0.473 0.836 0.545 CB 1.567 56 residues pruned to eliminate duplicates Z: 10 16.243 1.999 1.000 0.841 0.667 0.333 CA 1.515 10 residues pruned to eliminate duplicates Z: 75 44.903 2.333 0.835 0.472 0.824 0.527 CB 1.521 75 residues pruned to eliminate duplicates Z: 44 30.718 2.268 0.710 0.464 0.860 0.581 CB 1.456 44 residues pruned to eliminate duplicates Z: 58 37.722 2.217 0.632 0.460 0.912 0.614 CB 1.577 58 residues pruned to eliminate duplicates Z: 6 2.291 1.778 0.828 0.551 0.800 0.400 CB 0.375 Z: 14 15.675 2.152 0.906 0.423 0.846 0.538 CB 1.358 14 residues pruned to eliminate duplicates Z: 42 37.327 2.294 0.828 0.502 0.829 0.585 CB 1.672 42 residues pruned to eliminate duplicates Z: 40 32.772 2.303 0.817 0.475 0.872 0.641 CB 1.475 40 residues pruned to eliminate duplicates Z: 21 18.876 1.992 0.606 0.457 1.000 0.550 CB 1.378 18 residues pruned to eliminate duplicates Z: 40 32.920 2.204 0.678 0.521 0.923 0.513 CB 1.512 40 residues pruned to eliminate duplicates Z: 6 11.634 1.888 1.068 0.636 1.000 1.000 CB 1.173 6 residues pruned to eliminate duplicates Z: 11 17.954 2.077 0.577 0.858 1.000 0.800 CA 1.276 11 residues pruned to eliminate duplicates Z: 13 18.774 1.921 0.976 0.710 1.000 0.667 CB 1.180 13 residues pruned to eliminate duplicates Z: 10 4.132 1.669 -0.154 0.518 0.778 0.556 O 1.232 Z: 86 40.598 2.159 0.749 0.466 0.859 0.576 CB 1.405 109 residues pruned to eliminate duplicates Z: 8 14.890 2.036 0.879 0.777 0.714 0.714 CB 1.613 8 residues pruned to eliminate duplicates Z: 24 28.449 2.092 0.569 0.621 0.957 0.739 CB 1.685 6 1.577 1.392 0.204 0.503 0.600 0.400 CA 0.699 ? Z: 12 23.203 2.090 1.114 0.629 0.909 0.636 CB 1.542 Z: 32 28.210 2.211 0.890 0.530 0.806 0.613 CB 1.459 32 residues pruned to eliminate duplicates Z: 9 6.736 1.854 0.863 0.552 0.875 0.750 CB 0.749 9 residues pruned to eliminate duplicates Z: 24 29.890 2.070 0.675 0.652 0.957 0.739 CB 1.632 24 residues pruned to eliminate duplicates Z: 46 37.867 2.353 0.898 0.487 0.867 0.600 CB 1.478 46 residues pruned to eliminate duplicates Z: 12 7.078 1.930 0.187 0.300 0.818 0.364 CB 1.423 12 residues pruned to eliminate duplicates Z: 10 10.049 1.716 0.675 0.668 0.778 0.667 CB 1.282 10 residues pruned to eliminate duplicates Z: 21 15.781 1.727 0.660 0.670 0.950 0.800 CB 1.108 13 residues pruned to eliminate duplicates Z: 13 20.587 1.923 1.071 0.724 0.917 0.750 CB 1.331 12 residues pruned to eliminate duplicates Z: 24 25.051 2.056 0.564 0.595 0.913 0.696 CB 1.625 24 residues pruned to eliminate duplicates Z: 19 24.562 2.231 0.970 0.573 0.944 0.778 CB 1.300 20 residues pruned to eliminate duplicates Z: 21 29.014 2.269 0.878 0.489 0.950 0.650 CA 1.621 Z: 15 12.678 1.909 0.834 0.510 0.857 0.571 CB 1.117 15 residues pruned to eliminate duplicates Z: 25 15.365 2.167 0.559 0.363 0.833 0.583 CB 1.290 25 residues pruned to eliminate duplicates Z: 21 13.872 2.054 0.359 0.432 0.850 0.550 CB 1.402 21 residues pruned to eliminate duplicates Z: 18 11.636 1.887 0.624 0.382 0.706 0.412 CB 1.478 18 residues pruned to eliminate duplicates Z: 31 33.321 2.298 0.763 0.614 0.867 0.633 CB 1.554 31 residues pruned to eliminate duplicates Z: 28 14.073 2.124 0.480 0.374 0.778 0.481 CB 1.267 28 residues pruned to eliminate duplicates Z: 28 19.834 2.117 0.812 0.435 0.815 0.630 CB 1.307 28 residues pruned to eliminate duplicates Z: 22 22.282 1.937 0.453 0.633 0.905 0.667 CB 1.686 20 residues pruned to eliminate duplicates Z: 27 19.036 2.021 0.631 0.432 0.885 0.500 CB 1.373 27 residues pruned to eliminate duplicates Z: 11 18.815 1.982 0.764 0.745 0.900 0.600 CA 1.518 12 residues pruned to eliminate duplicates Z: 24 17.103 2.219 0.621 0.291 0.870 0.565 CB 1.441 24 residues pruned to eliminate duplicates Z: 8 5.888 1.776 0.543 0.584 0.714 0.714 CB 1.050 8 residues pruned to eliminate duplicates Z: 30 23.589 2.121 0.758 0.480 0.862 0.690 CB 1.390 30 residues pruned to eliminate duplicates Z: 11 26.563 2.309 0.887 0.762 1.000 0.800 CA 1.528 12 residues pruned to eliminate duplicates Z: 39 18.934 1.963 0.528 0.518 0.842 0.579 CB 1.194 45 residues pruned to eliminate duplicates Z: 13 14.382 1.863 0.726 0.659 0.917 0.583 CB 1.216 13 residues pruned to eliminate duplicates Z: 7 9.609 1.684 0.739 0.665 1.000 0.833 CA 1.149 6 residues pruned to eliminate duplicates Z: 81 47.921 2.247 0.844 0.492 0.887 0.675 CB 1.469 81 residues pruned to eliminate duplicates Z: 9 12.529 1.611 1.050 0.672 0.875 0.500 CB 1.308 8 residues pruned to eliminate duplicates Z: 20 12.715 1.822 0.537 0.479 0.789 0.526 CB 1.348 20 residues pruned to eliminate duplicates Z: 15 16.646 2.354 0.986 0.433 0.786 0.571 CB 1.299 15 residues pruned to eliminate duplicates Z: 17 13.129 1.900 0.618 0.419 0.812 0.625 CB 1.430 17 residues pruned to eliminate duplicates Z: 30 24.992 2.103 1.022 0.456 0.793 0.517 CB 1.439 25 residues pruned to eliminate duplicates Z: 9 5.471 1.577 0.212 0.534 0.750 0.625 O 1.305 Z: 26 33.938 2.244 0.930 0.609 0.960 0.680 CB 1.472 26 residues pruned to eliminate duplicates Z: 11 2.867 1.496 -0.024 0.304 0.800 0.400 CB 0.965 11 residues pruned to eliminate duplicates Z: 6 10.475 2.092 0.568 0.756 1.000 0.800 CB 1.138 6 residues pruned to eliminate duplicates Z: 13 17.421 2.090 0.699 0.547 0.917 0.833 CB 1.476 13 residues pruned to eliminate duplicates Z: 61 42.240 2.267 0.609 0.501 0.933 0.550 CB 1.601 61 residues pruned to eliminate duplicates Z: 6 6.932 1.931 0.469 0.552 1.000 0.800 CA 1.039 6 residues pruned to eliminate duplicates Z: 11 12.649 2.065 0.568 0.810 0.700 0.500 CB 1.347 11 residues pruned to eliminate duplicates Z: 77 45.223 2.174 0.712 0.513 0.895 0.526 CB 1.538 77 residues pruned to eliminate duplicates Z: 19 16.663 1.918 0.677 0.563 0.833 0.667 CB 1.379 10 residues pruned to eliminate duplicates Z: 84 50.428 2.255 0.925 0.514 0.831 0.542 CB 1.513 84 residues pruned to eliminate duplicates Z: 59 40.306 2.234 0.861 0.459 0.862 0.552 CB 1.540 59 residues pruned to eliminate duplicates Z: 66 40.208 2.260 0.574 0.464 0.908 0.585 CB 1.602 103 residues pruned to eliminate duplicates Z: 21 18.672 2.106 0.473 0.528 0.850 0.600 CB 1.541 21 residues pruned to eliminate duplicates Z: 7 4.465 1.679 0.623 0.328 0.833 0.333 CA 0.969 Z: 10 7.546 1.729 0.386 0.415 0.889 0.556 CB 1.291 10 residues pruned to eliminate duplicates Z: 45 26.968 2.022 0.677 0.516 0.909 0.523 CB 1.299 11 residues pruned to eliminate duplicates Z: 22 13.475 1.891 0.315 0.448 0.952 0.619 CB 1.309 22 residues pruned to eliminate duplicates Z: 13 13.082 1.749 0.549 0.650 0.917 0.417 CA 1.322 13 residues pruned to eliminate duplicates Z: 24 12.824 1.852 0.536 0.419 0.870 0.696 CB 1.176 24 residues pruned to eliminate duplicates Z: 31 24.498 2.236 0.859 0.447 0.833 0.533 CB 1.363 31 residues pruned to eliminate duplicates Z: 11 18.939 1.964 0.879 0.763 0.800 0.500 CA 1.606 11 residues pruned to eliminate duplicates Z: 18 15.086 2.013 0.391 0.520 0.941 0.471 CB 1.361 18 residues pruned to eliminate duplicates Z: 42 23.581 2.006 0.472 0.538 0.927 0.610 CB 1.296 42 residues pruned to eliminate duplicates Z: 24 35.439 2.372 1.010 0.615 0.870 0.609 CB 1.599 24 residues pruned to eliminate duplicates Z: 16 13.684 1.839 0.708 0.459 0.800 0.533 CB 1.467 15 residues pruned to eliminate duplicates Z: 60 45.191 2.285 0.637 0.509 0.932 0.576 CB 1.672 60 residues pruned to eliminate duplicates Z: 73 49.908 2.192 0.865 0.544 0.903 0.583 CB 1.526 73 residues pruned to eliminate duplicates Z: 13 6.371 1.769 -0.138 0.558 0.917 0.667 CB 1.244 Z: 15 19.091 2.099 0.618 0.523 0.857 0.500 CA 1.713 Z: 7 8.084 1.652 0.571 0.628 1.000 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 50 30.749 2.093 0.728 0.489 0.898 0.694 CB 1.368 50 residues pruned to eliminate duplicates Z: 38 27.580 2.085 0.881 0.490 0.811 0.622 CB 1.441 26 residues pruned to eliminate duplicates Z: 51 44.525 2.333 0.727 0.458 0.940 0.500 CB 1.736 15 residues pruned to eliminate duplicates Z: 36 23.437 2.177 0.726 0.407 0.914 0.486 CB 1.271 36 residues pruned to eliminate duplicates Z: 73 46.805 2.305 0.824 0.496 0.889 0.681 CB 1.481 73 residues pruned to eliminate duplicates Z: 23 25.106 1.953 0.773 0.592 0.955 0.773 CB 1.484 23 residues pruned to eliminate duplicates Z: 8 3.793 1.417 0.653 0.552 0.571 0.571 CB 1.018 8 residues pruned to eliminate duplicates Z: 19 23.392 2.113 0.888 0.515 0.889 0.611 CB 1.532 19 residues pruned to eliminate duplicates Z: 51 37.342 2.186 0.565 0.538 0.940 0.640 CB 1.583 102 residues pruned to eliminate duplicates Z: 40 25.092 1.978 0.707 0.566 0.846 0.615 CB 1.319 36 residues pruned to eliminate duplicates Z: 15 11.792 1.792 0.495 0.568 0.857 0.643 CB 1.285 15 residues pruned to eliminate duplicates Z: 24 19.956 1.878 0.664 0.565 0.913 0.565 CB 1.370 24 residues pruned to eliminate duplicates Z: 7 8.181 1.620 0.670 0.505 1.000 0.833 CA 1.228 7 residues pruned to eliminate duplicates Z: 24 15.960 2.040 0.554 0.433 0.783 0.478 CB 1.438 23 residues pruned to eliminate duplicates Z: 20 16.263 2.129 0.751 0.520 0.842 0.684 CB 1.165 20 residues pruned to eliminate duplicates Z: 57 48.432 2.324 0.714 0.499 0.964 0.571 CB 1.688 57 residues pruned to eliminate duplicates Z: 39 34.916 2.262 0.822 0.420 0.921 0.579 CB 1.623 Z: 25 24.981 1.975 0.742 0.582 0.917 0.625 CB 1.496 25 residues pruned to eliminate duplicates Z: 11 20.079 2.108 0.831 0.785 0.900 0.700 CB 1.422 11 residues pruned to eliminate duplicates Z: 9 4.698 1.655 0.221 0.270 1.000 0.375 N 1.067 9 residues pruned to eliminate duplicates Z: 51 45.701 2.370 0.937 0.507 0.900 0.620 CB 1.554 51 residues pruned to eliminate duplicates Z: 9 7.704 1.897 0.031 0.547 0.875 0.375 CA 1.521 9 residues pruned to eliminate duplicates Z: 6 2.047 1.826 -0.121 0.316 0.600 0.400 CB 1.166 Z: 6 10.463 1.923 0.375 0.656 1.000 0.600 C 1.531 6 residues pruned to eliminate duplicates Z: 63 33.887 2.080 0.747 0.489 0.903 0.581 CB 1.325 63 residues pruned to eliminate duplicates Z: 10 4.761 1.541 0.297 0.544 0.778 0.444 N 0.977 Z: 44 27.852 2.229 0.612 0.462 0.837 0.558 CB 1.468 44 residues pruned to eliminate duplicates Z: 62 35.225 2.087 0.670 0.490 0.951 0.590 CB 1.374 63 residues pruned to eliminate duplicates Z: 60 47.181 2.286 0.833 0.461 0.949 0.593 CB 1.607 99 residues pruned to eliminate duplicates Z: 49 32.496 2.252 0.755 0.503 0.854 0.562 CB 1.386 49 residues pruned to eliminate duplicates Z: 17 22.194 2.192 1.202 0.470 0.875 0.562 CB 1.355 Z: 24 27.378 2.057 0.572 0.616 0.957 0.696 CB 1.654 24 residues pruned to eliminate duplicates Z: 8 8.886 1.697 0.566 0.662 0.857 0.714 C 1.269 8 residues pruned to eliminate duplicates Z: 39 20.443 2.021 0.563 0.484 0.895 0.658 CB 1.193 39 residues pruned to eliminate duplicates Z: 21 12.185 1.687 0.458 0.551 0.950 0.700 CB 1.110 21 residues pruned to eliminate duplicates Z: 68 45.650 2.328 0.563 0.505 0.925 0.567 CB 1.649 68 residues pruned to eliminate duplicates Z: 10 5.310 1.790 0.208 0.500 0.667 0.667 CB 1.228 Z: 14 7.350 1.720 0.333 0.574 0.769 0.615 CB 1.076 14 residues pruned to eliminate duplicates Z: 22 10.050 1.683 0.392 0.419 0.905 0.619 CB 1.125 22 residues pruned to eliminate duplicates Z: 7 6.144 1.674 0.121 0.840 1.000 0.667 CB 0.997 7 residues pruned to eliminate duplicates Z: 18 15.807 2.010 0.515 0.490 0.882 0.647 CB 1.442 18 residues pruned to eliminate duplicates Z: 20 16.798 2.219 0.377 0.414 0.842 0.632 CB 1.639 20 residues pruned to eliminate duplicates Z: 21 26.147 2.165 1.102 0.605 1.000 0.800 CB 1.163 30 residues pruned to eliminate duplicates Z: 59 41.254 2.347 0.863 0.469 0.879 0.534 CB 1.454 59 residues pruned to eliminate duplicates Z: 24 30.613 2.077 0.691 0.631 0.957 0.739 CB 1.680 25 residues pruned to eliminate duplicates Z: 25 24.097 1.955 0.547 0.627 0.917 0.708 CB 1.575 26 residues pruned to eliminate duplicates Z: 10 7.288 1.691 0.243 0.614 1.000 0.556 CB 1.037 10 residues pruned to eliminate duplicates Z: 24 17.830 2.019 0.863 0.507 0.783 0.478 CB 1.254 24 residues pruned to eliminate duplicates Z: 35 22.080 1.933 0.544 0.544 0.941 0.588 CB 1.291 35 residues pruned to eliminate duplicates Z: 22 18.800 2.135 0.581 0.470 0.810 0.667 CB 1.548 22 residues pruned to eliminate duplicates Z: 10 9.396 1.872 -0.014 0.732 0.889 0.778 N 1.551 11 residues pruned to eliminate duplicates Z: 9 15.833 1.943 0.784 0.853 1.000 0.875 CB 1.194 9 residues pruned to eliminate duplicates Z: 38 33.583 2.247 0.748 0.457 0.892 0.622 CB 1.646 38 residues pruned to eliminate duplicates Z: 8 8.044 1.709 0.240 0.535 1.000 0.571 CA 1.386 8 residues pruned to eliminate duplicates Z: 6 3.543 1.787 -0.284 0.807 1.000 0.600 CB 0.947 6 residues pruned to eliminate duplicates Z: 23 17.757 1.997 0.625 0.450 0.864 0.682 CB 1.422 23 residues pruned to eliminate duplicates Z: 19 18.465 1.718 1.016 0.589 0.944 0.667 CB 1.221 34 residues pruned to eliminate duplicates Z: 17 14.304 1.935 0.914 0.596 0.750 0.500 CB 1.174 12 residues pruned to eliminate duplicates Z: 14 19.023 2.153 0.695 0.541 0.846 0.615 CB 1.641 5 residues pruned to eliminate duplicates Z: 20 27.486 2.289 1.070 0.475 0.947 0.474 CB 1.440 20 residues pruned to eliminate duplicates Z: 76 39.427 2.294 0.656 0.461 0.827 0.480 CB 1.508 76 residues pruned to eliminate duplicates Z: 6 7.421 1.874 0.101 0.857 1.000 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 7 4.763 1.808 -0.345 0.698 1.000 0.833 CB 1.370 Z: 15 10.011 1.816 0.441 0.420 0.857 0.500 CA 1.296 15 residues pruned to eliminate duplicates Z: 9 11.093 1.648 0.837 0.753 1.000 0.875 CB 1.034 9 residues pruned to eliminate duplicates Z: 35 30.038 2.291 0.458 0.465 0.912 0.588 CB 1.754 Z: 15 15.170 1.718 0.787 0.604 0.929 0.643 CB 1.287 Z: 13 13.013 1.830 0.933 0.424 1.000 0.667 CB 1.149 13 residues pruned to eliminate duplicates Z: 12 10.371 1.989 0.863 0.417 0.727 0.455 CB 1.265 12 residues pruned to eliminate duplicates Z: 11 12.473 2.004 0.296 0.830 0.900 0.800 CB 1.269 11 residues pruned to eliminate duplicates Z: 20 23.825 2.190 0.842 0.506 0.947 0.474 CB 1.421 19 residues pruned to eliminate duplicates Z: 13 20.134 1.979 0.780 0.646 0.917 0.833 CA 1.571 13 residues pruned to eliminate duplicates Z: 8 11.478 1.665 1.009 0.598 0.857 0.714 CB 1.379 8 residues pruned to eliminate duplicates Z: 50 38.352 2.301 0.647 0.466 0.918 0.612 CB 1.630 85 residues pruned to eliminate duplicates Z: 7 5.845 1.817 -0.282 0.850 1.000 0.833 CB 1.355 Z: 30 34.068 2.369 0.748 0.647 0.862 0.621 CB 1.546 30 residues pruned to eliminate duplicates Z: 39 34.228 2.248 0.620 0.540 0.921 0.658 CB 1.592 39 residues pruned to eliminate duplicates Z: 7 7.904 1.539 0.955 0.503 1.000 1.000 CB 1.070 7 residues pruned to eliminate duplicates Z: 50 26.467 2.174 0.519 0.426 0.878 0.551 CB 1.409 50 residues pruned to eliminate duplicates Z: 8 5.630 1.686 -0.015 0.738 0.857 0.857 O 1.208 Z: 9 6.405 1.785 0.615 0.593 0.750 0.750 CB 0.958 9 residues pruned to eliminate duplicates Z: 11 20.696 2.116 0.872 0.804 0.900 0.700 CA 1.407 16 residues pruned to eliminate duplicates Z: 14 17.304 2.175 0.474 0.606 0.846 0.462 CB 1.600 14 residues pruned to eliminate duplicates Z: 9 7.172 1.922 0.490 0.514 0.750 0.500 CB 1.164 9 residues pruned to eliminate duplicates Z: 23 13.433 1.634 0.594 0.599 0.955 0.682 CB 1.049 23 residues pruned to eliminate duplicates Z: 11 18.754 2.353 1.026 0.456 0.900 0.600 CB 1.445 11 residues pruned to eliminate duplicates Z: 20 21.445 2.148 1.081 0.531 0.842 0.684 CB 1.268 20 residues pruned to eliminate duplicates Z: 19 17.623 2.209 0.377 0.366 0.944 0.444 CA 1.669 Z: 9 4.625 1.655 0.121 0.520 0.875 0.500 CB 0.988 Z: 7 15.701 2.064 0.992 0.498 1.000 0.500 CA 1.563 7 residues pruned to eliminate duplicates Z: 23 24.047 2.080 0.438 0.611 0.909 0.818 CB 1.697 23 residues pruned to eliminate duplicates Z: 11 5.044 1.601 0.114 0.545 0.800 0.300 CB 1.070 7 residues pruned to eliminate duplicates Z: 8 3.262 1.525 0.752 0.239 0.714 0.429 CB 0.875 Z: 19 17.361 2.180 0.634 0.430 0.833 0.611 CB 1.482 19 residues pruned to eliminate duplicates Z: 6 2.110 1.664 -0.488 0.692 0.800 0.400 CB 1.160 Z: 11 20.943 2.012 0.769 0.790 1.000 0.800 CB 1.442 11 residues pruned to eliminate duplicates Z: 20 22.586 2.258 1.100 0.435 0.789 0.579 CB 1.481 20 residues pruned to eliminate duplicates Z: 13 13.478 1.983 0.655 0.551 0.833 0.750 CB 1.354 13 residues pruned to eliminate duplicates Z: 24 27.569 2.282 0.890 0.539 0.870 0.696 CB 1.475 24 residues pruned to eliminate duplicates 6 1.338 1.533 0.426 0.288 0.600 0.400 CB 0.579 ? Z: 11 8.105 1.579 0.605 0.493 0.800 0.600 CB 1.273 11 residues pruned to eliminate duplicates Z: 12 19.374 2.094 0.765 0.713 0.909 0.636 CB 1.434 11 residues pruned to eliminate duplicates Z: 6 8.201 2.026 -0.121 0.732 1.000 0.800 CB 1.672 8 residues pruned to eliminate duplicates Z: 8 6.439 1.835 0.004 0.570 0.857 0.571 CB 1.440 7 residues pruned to eliminate duplicates Z: 9 8.977 1.924 -0.135 0.833 1.000 0.875 CB 1.431 10 residues pruned to eliminate duplicates Z: 11 10.973 1.751 0.381 0.647 1.000 0.600 CB 1.251 10 residues pruned to eliminate duplicates Z: 8 3.811 1.646 0.004 0.368 0.714 0.286 O 1.406 8 residues pruned to eliminate duplicates Z: 7 4.082 1.620 0.382 0.492 0.667 0.667 CB 1.126 Z: 10 4.564 1.685 0.770 0.351 0.778 0.556 CB 0.771 Z: 18 13.571 1.998 0.453 0.410 0.882 0.471 CB 1.412 8 residues pruned to eliminate duplicates Z: 10 31.462 2.380 1.088 0.681 1.000 0.778 CB 1.787 13 residues pruned to eliminate duplicates Z: 16 12.546 1.781 0.886 0.453 0.800 0.533 CB 1.266 44 residues pruned to eliminate duplicates Z: 10 6.138 1.985 0.398 0.366 0.778 0.444 CB 1.094 Z: 9 13.501 1.962 0.550 0.777 0.875 0.750 CA 1.405 9 residues pruned to eliminate duplicates Z: 37 26.574 2.222 0.474 0.467 0.917 0.556 CB 1.525 66 residues pruned to eliminate duplicates Z: 7 4.042 1.553 -0.078 0.673 0.833 0.833 C 1.179 Z: 9 12.039 1.984 0.567 0.585 0.875 0.750 CA 1.442 9 residues pruned to eliminate duplicates Z: 6 9.772 2.016 0.141 0.841 1.000 1.000 CB 1.416 6 residues pruned to eliminate duplicates Z: 16 14.138 1.897 0.677 0.480 1.000 0.733 CB 1.172 16 residues pruned to eliminate duplicates Z: 6 4.343 1.689 -0.124 0.795 1.000 0.600 CB 1.014 Z: 21 13.900 2.074 0.706 0.421 0.750 0.500 CB 1.272 21 residues pruned to eliminate duplicates Z: 24 24.307 2.029 0.535 0.556 1.000 0.652 CB 1.541 24 residues pruned to eliminate duplicates Z: 7 2.209 1.670 -0.206 0.381 0.833 0.500 CB 0.926 Z: 23 22.618 2.014 0.810 0.488 0.909 0.636 CB 1.472 26 residues pruned to eliminate duplicates Z: 10 6.379 1.629 0.387 0.582 1.000 0.667 N 0.870 5 residues pruned to eliminate duplicates Z: 26 24.207 2.124 0.718 0.539 0.880 0.840 CB 1.451 26 residues pruned to eliminate duplicates Z: 7 3.117 1.757 -0.410 0.706 0.833 0.500 N 1.222 6 residues pruned to eliminate duplicates Z: 11 5.938 1.686 0.330 0.390 0.800 0.600 CB 1.176 11 residues pruned to eliminate duplicates Z: 9 4.549 1.167 0.336 0.633 1.000 0.500 CB 0.910 Z: 32 26.795 2.253 0.689 0.438 0.839 0.452 CB 1.608 32 residues pruned to eliminate duplicates Z: 23 25.039 2.083 0.594 0.611 0.909 0.727 CB 1.592 23 residues pruned to eliminate duplicates Z: 7 4.835 1.714 -0.127 0.718 1.000 0.667 CB 1.083 8 residues pruned to eliminate duplicates Z: 6 3.194 1.302 0.663 0.777 1.000 0.800 N 0.517 Z: 50 24.394 2.089 0.672 0.371 0.796 0.429 CB 1.438 50 residues pruned to eliminate duplicates Z: 8 16.436 1.977 1.281 0.486 0.857 0.714 CB 1.630 8 residues pruned to eliminate duplicates Z: 6 5.126 1.628 0.042 0.781 1.000 0.800 CB 1.055 Z: 57 46.199 2.187 0.961 0.513 0.911 0.625 CB 1.560 57 residues pruned to eliminate duplicates Z: 13 11.541 1.957 0.717 0.571 0.750 0.417 CB 1.235 13 residues pruned to eliminate duplicates Z: 21 9.664 2.183 0.387 0.330 0.750 0.500 CB 1.147 21 residues pruned to eliminate duplicates Z: 11 14.579 2.015 0.579 0.477 1.000 0.800 CB 1.484 11 residues pruned to eliminate duplicates Z: 12 16.264 1.797 0.816 0.740 0.909 0.727 CB 1.333 12 residues pruned to eliminate duplicates Z: 14 12.681 1.981 0.425 0.484 0.923 0.692 CB 1.371 Z: 9 5.857 2.048 0.118 0.385 0.875 0.500 CB 1.168 9 residues pruned to eliminate duplicates Z: 8 7.529 1.627 0.712 0.728 0.857 0.714 CB 0.971 8 residues pruned to eliminate duplicates Z: 10 11.730 1.967 0.564 0.761 0.889 0.778 CB 1.134 10 residues pruned to eliminate duplicates Z: 51 39.566 2.355 0.882 0.496 0.800 0.520 CB 1.584 51 residues pruned to eliminate duplicates Z: 38 40.301 2.362 0.866 0.549 0.892 0.568 CB 1.607 38 residues pruned to eliminate duplicates Z: 9 4.319 1.541 0.837 0.244 0.875 0.375 CB 0.828 Z: 12 26.026 2.064 0.972 0.741 1.000 0.909 CA 1.554 13 residues pruned to eliminate duplicates Z: 38 23.626 2.062 0.465 0.513 0.892 0.703 CB 1.423 38 residues pruned to eliminate duplicates Z: 7 2.544 1.568 0.100 0.346 0.667 0.667 N 1.068 Z: 7 2.764 1.730 0.217 0.496 1.000 0.833 CB 0.538 7 residues pruned to eliminate duplicates Z: 6 2.985 1.512 -0.148 0.575 1.000 0.800 CB 0.963 4 residues pruned to eliminate duplicates Z: 6 7.089 1.652 0.119 0.705 1.000 0.800 CA 1.423 6 residues pruned to eliminate duplicates Z: 20 21.084 2.055 0.574 0.562 0.895 0.632 CB 1.574 20 residues pruned to eliminate duplicates Z: 16 17.993 2.122 0.542 0.534 1.000 0.600 CB 1.374 16 residues pruned to eliminate duplicates Z: 11 17.580 2.086 0.658 0.700 0.900 0.800 CA 1.488 14 residues pruned to eliminate duplicates Z: 15 8.527 2.078 0.501 0.317 0.714 0.429 CB 1.252 Z: 20 18.020 2.038 0.690 0.430 0.895 0.526 CB 1.442 20 residues pruned to eliminate duplicates Z: 56 24.103 2.189 0.574 0.428 0.818 0.655 CB 1.242 56 residues pruned to eliminate duplicates Z: 6 3.650 1.643 0.516 0.698 1.000 1.000 CB 0.547 Z: 7 4.398 1.437 0.319 0.675 0.833 0.333 N 0.968 Z: 11 14.657 2.000 0.633 0.516 1.000 0.700 CB 1.396 11 residues pruned to eliminate duplicates Z: 11 14.044 2.031 0.520 0.822 0.900 0.700 CA 1.209 11 residues pruned to eliminate duplicates Z: 8 17.721 1.951 0.663 0.821 1.000 0.714 CA 1.562 8 residues pruned to eliminate duplicates Z: 11 7.972 2.010 0.630 0.434 0.700 0.500 CB 1.176 Z: 11 18.837 2.115 0.625 0.806 1.000 0.600 CB 1.328 12 residues pruned to eliminate duplicates Z: 24 16.970 2.053 0.570 0.393 0.913 0.696 CB 1.346 18 residues pruned to eliminate duplicates Z: 6 6.061 1.766 0.798 0.416 0.800 0.600 CB 1.164 6 residues pruned to eliminate duplicates Z: 24 10.854 1.884 0.155 0.425 0.957 0.826 CB 1.175 26 residues pruned to eliminate duplicates Z: 12 10.005 1.947 0.370 0.643 0.909 0.545 CB 1.089 12 residues pruned to eliminate duplicates Z: 6 5.910 1.621 0.639 0.678 0.800 0.800 CA 1.056 Z: 22 14.164 1.825 0.459 0.579 0.905 0.762 CB 1.189 22 residues pruned to eliminate duplicates Z: 39 27.545 2.203 0.460 0.466 0.895 0.579 CB 1.607 72 residues pruned to eliminate duplicates Z: 9 5.926 1.722 0.603 0.375 0.625 0.625 CA 1.387 9 residues pruned to eliminate duplicates Z: 21 24.661 2.212 0.790 0.620 0.850 0.750 CB 1.463 21 residues pruned to eliminate duplicates Z: 24 26.426 2.065 0.497 0.622 0.957 0.783 CB 1.662 24 residues pruned to eliminate duplicates Z: 7 2.299 1.505 -0.158 0.697 1.000 0.667 CB 0.619 7 residues pruned to eliminate duplicates Z: 23 22.055 2.033 0.415 0.571 0.909 0.727 CB 1.679 23 residues pruned to eliminate duplicates Z: 9 7.309 1.860 0.458 0.589 0.875 0.750 CB 1.000 9 residues pruned to eliminate duplicates Z: 29 22.244 2.193 0.542 0.439 0.857 0.643 CB 1.544 Z: 14 6.599 1.692 0.280 0.309 0.923 0.615 CB 1.131 14 residues pruned to eliminate duplicates Z: 51 45.151 2.347 0.696 0.486 0.920 0.560 CB 1.768 39 residues pruned to eliminate duplicates Z: 14 5.019 1.696 0.297 0.260 0.615 0.308 CB 1.353 14 residues pruned to eliminate duplicates Z: 14 9.980 1.625 0.745 0.522 0.846 0.615 CB 1.129 13 residues pruned to eliminate duplicates Z: 16 9.765 2.058 0.342 0.341 0.733 0.400 CB 1.481 16 residues pruned to eliminate duplicates Z: 20 20.023 2.160 0.889 0.430 0.842 0.579 CB 1.437 20 residues pruned to eliminate duplicates Z: 18 13.257 2.259 0.605 0.314 0.765 0.412 CB 1.425 18 residues pruned to eliminate duplicates Z: 23 18.917 1.834 0.494 0.595 0.955 0.682 CA 1.409 23 residues pruned to eliminate duplicates Z: 68 43.762 2.332 0.607 0.488 0.881 0.537 CB 1.639 68 residues pruned to eliminate duplicates Z: 8 4.546 1.725 -0.244 0.620 1.000 0.714 CB 1.176 7 residues pruned to eliminate duplicates Z: 10 3.149 1.451 0.480 0.259 0.556 0.444 N 1.159 10 residues pruned to eliminate duplicates Z: 39 29.678 2.258 0.838 0.464 0.842 0.632 CB 1.429 39 residues pruned to eliminate duplicates Z: 25 27.301 1.990 0.543 0.643 0.958 0.708 CB 1.657 25 residues pruned to eliminate duplicates Z: 6 2.920 1.645 -0.105 0.352 1.000 0.600 CB 1.041 5 residues pruned to eliminate duplicates Z: 14 19.694 2.109 0.853 0.476 0.923 0.462 CB 1.552 14 residues pruned to eliminate duplicates Z: 16 17.642 1.967 0.738 0.622 0.933 0.600 CB 1.273 11 residues pruned to eliminate duplicates Z: 10 4.995 1.442 0.147 0.408 1.000 0.556 CB 1.108 7 residues pruned to eliminate duplicates Z: 17 14.263 2.242 0.813 0.407 0.750 0.500 CB 1.290 17 residues pruned to eliminate duplicates Z: 12 18.702 2.139 0.593 0.592 1.000 0.818 CA 1.515 Z: 9 8.140 1.874 0.268 0.472 0.875 0.625 CA 1.424 9 residues pruned to eliminate duplicates Z: 6 2.863 1.364 0.025 0.641 0.800 0.600 CA 1.003 6 residues pruned to eliminate duplicates Z: 75 45.746 2.189 0.796 0.525 0.892 0.689 CB 1.480 75 residues pruned to eliminate duplicates Z: 7 10.727 1.900 0.602 0.611 1.000 0.500 CA 1.295 7 residues pruned to eliminate duplicates Z: 20 14.844 2.086 0.695 0.498 0.842 0.579 CB 1.146 23 residues pruned to eliminate duplicates Z: 6 3.596 1.654 0.253 0.285 0.800 0.400 CB 1.236 6 1.162 1.503 -0.446 0.324 0.800 0.600 CB 0.946 ? Z: 9 5.158 1.426 0.540 0.637 0.875 0.500 CB 0.834 Z: 12 24.804 2.071 1.084 0.749 0.909 0.636 CA 1.525 12 residues pruned to eliminate duplicates Z: 43 45.061 2.270 1.100 0.547 0.857 0.619 CB 1.626 43 residues pruned to eliminate duplicates Z: 6 6.403 1.603 0.639 0.637 0.800 0.800 C 1.198 Z: 9 3.328 1.607 -0.106 0.300 0.750 0.375 C 1.365 18 residues pruned to eliminate duplicates Z: 7 9.232 2.008 0.324 0.691 0.833 0.667 CA 1.428 7 residues pruned to eliminate duplicates Z: 9 4.726 1.705 0.287 0.468 0.875 0.625 CB 0.900 9 residues pruned to eliminate duplicates Z: 20 20.252 2.210 0.499 0.457 0.895 0.579 CB 1.638 20 residues pruned to eliminate duplicates Z: 7 15.817 2.357 0.558 0.689 0.833 0.833 CA 1.775 7 residues pruned to eliminate duplicates Z: 17 20.878 2.202 0.837 0.416 0.938 0.625 CB 1.503 17 residues pruned to eliminate duplicates Z: 10 5.441 1.659 0.504 0.461 0.889 0.667 N 0.851 Z: 6 5.002 1.612 0.193 0.647 0.800 0.400 O 1.268 4 residues pruned to eliminate duplicates Z: 36 24.832 2.192 0.469 0.419 0.943 0.514 CB 1.505 46 residues pruned to eliminate duplicates Z: 7 2.958 1.722 -0.048 0.190 0.833 0.667 CB 1.281 Z: 68 32.764 2.130 0.794 0.460 0.836 0.627 CB 1.306 68 residues pruned to eliminate duplicates Z: 32 19.458 1.950 0.750 0.513 0.774 0.516 CB 1.306 32 residues pruned to eliminate duplicates Z: 71 37.967 2.209 0.787 0.431 0.829 0.543 CB 1.490 71 residues pruned to eliminate duplicates Z: 10 8.745 1.643 0.122 0.716 1.000 0.778 N 1.302 7 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 2.884 1.514 0.238 0.303 0.800 0.400 CB 1.072 6 residues pruned to eliminate duplicates Z: 24 26.176 2.073 0.597 0.600 0.913 0.739 CB 1.641 24 residues pruned to eliminate duplicates Z: 23 28.284 2.145 0.620 0.575 0.955 0.636 CB 1.692 23 residues pruned to eliminate duplicates Z: 25 23.960 1.987 0.631 0.585 0.875 0.708 CB 1.589 25 residues pruned to eliminate duplicates Z: 23 28.781 2.090 0.703 0.614 0.909 0.773 CB 1.702 23 residues pruned to eliminate duplicates Z: 21 15.271 1.885 0.539 0.419 0.800 0.550 CB 1.601 21 residues pruned to eliminate duplicates Z: 24 25.964 2.088 0.597 0.598 0.870 0.783 CB 1.700 24 residues pruned to eliminate duplicates Z: 20 24.312 2.133 0.550 0.557 0.947 0.684 CB 1.685 20 residues pruned to eliminate duplicates Z: 25 29.368 2.054 0.638 0.635 0.958 0.708 CB 1.639 25 residues pruned to eliminate duplicates Z: 24 28.497 2.076 0.656 0.604 0.957 0.696 CB 1.637 24 residues pruned to eliminate duplicates Z: 24 26.199 2.075 0.679 0.576 0.913 0.696 CB 1.597 24 residues pruned to eliminate duplicates Z: 24 31.494 2.092 0.803 0.651 0.913 0.783 CB 1.657 24 residues pruned to eliminate duplicates Z: 7 4.513 1.849 0.427 0.377 0.667 0.500 CB 1.194 7 residues pruned to eliminate duplicates Z: 25 26.928 2.014 0.644 0.581 0.958 0.667 CB 1.603 25 residues pruned to eliminate duplicates Z: 24 27.716 2.056 0.718 0.590 0.870 0.696 CB 1.725 24 residues pruned to eliminate duplicates Z: 23 27.727 2.088 0.615 0.618 0.909 0.864 CB 1.724 23 residues pruned to eliminate duplicates Z: 24 25.288 1.979 0.682 0.624 0.870 0.739 CB 1.620 24 residues pruned to eliminate duplicates Z: 9 15.625 1.914 0.675 0.755 0.875 0.750 CB 1.570 9 residues pruned to eliminate duplicates Z: 24 31.422 2.072 0.793 0.643 0.913 0.696 CB 1.691 24 residues pruned to eliminate duplicates Z: 12 15.260 2.131 0.703 0.632 0.818 0.455 CB 1.369 12 residues pruned to eliminate duplicates Z: 13 16.135 2.076 0.869 0.655 0.833 0.583 CB 1.247 13 residues pruned to eliminate duplicates Z: 13 16.817 1.984 0.890 0.657 0.917 0.500 CB 1.222 13 residues pruned to eliminate duplicates Z: 12 19.685 2.091 1.086 0.724 0.818 0.545 CB 1.359 12 residues pruned to eliminate duplicates Z: 14 14.329 1.886 0.970 0.539 0.846 0.462 CB 1.217 14 residues pruned to eliminate duplicates Z: 13 14.970 1.967 0.729 0.589 0.917 0.667 CB 1.273 13 residues pruned to eliminate duplicates Z: 14 16.373 1.883 1.005 0.552 0.923 0.615 CB 1.238 14 residues pruned to eliminate duplicates Z: 11 17.841 2.112 0.983 0.792 0.800 0.700 CA 1.302 11 residues pruned to eliminate duplicates Z: 13 16.338 1.923 0.878 0.747 0.833 0.500 CB 1.257 13 residues pruned to eliminate duplicates Z: 6 4.040 1.599 1.030 0.319 0.800 0.800 CA 0.849 6 residues pruned to eliminate duplicates Z: 18 25.173 2.255 0.953 0.491 0.882 0.765 CB 1.585 18 residues pruned to eliminate duplicates Z: 14 13.695 2.112 0.830 0.343 0.846 0.538 CB 1.377 14 residues pruned to eliminate duplicates Z: 40 39.305 2.243 1.056 0.469 0.872 0.641 CB 1.615 40 residues pruned to eliminate duplicates Z: 18 22.605 2.288 0.773 0.443 0.882 0.647 CB 1.624 18 residues pruned to eliminate duplicates Z: 16 23.020 2.304 0.939 0.427 0.867 0.667 CB 1.656 16 residues pruned to eliminate duplicates Z: 14 17.719 2.250 0.929 0.351 0.846 0.538 CB 1.572 14 residues pruned to eliminate duplicates Z: 15 14.001 2.165 0.856 0.368 0.714 0.571 CB 1.503 15 residues pruned to eliminate duplicates Z: 18 23.702 2.252 0.866 0.500 0.882 0.706 CB 1.550 18 residues pruned to eliminate duplicates Z: 21 20.058 2.176 0.845 0.411 0.850 0.500 CB 1.444 21 residues pruned to eliminate duplicates Z: 18 25.307 2.234 1.013 0.468 0.882 0.765 CB 1.598 18 residues pruned to eliminate duplicates Z: 17 24.940 2.265 0.895 0.485 0.875 0.625 CB 1.685 17 residues pruned to eliminate duplicates Z: 13 13.954 2.007 0.853 0.283 0.917 0.500 CB 1.510 13 residues pruned to eliminate duplicates Z: 12 7.770 2.057 0.437 0.296 0.636 0.364 CB 1.565 12 residues pruned to eliminate duplicates Z: 25 19.266 2.164 0.765 0.501 0.792 0.583 CB 1.300 25 residues pruned to eliminate duplicates Z: 22 17.247 2.247 0.695 0.419 0.762 0.571 CB 1.411 22 residues pruned to eliminate duplicates Z: 8 6.655 2.052 0.406 0.665 0.857 0.571 CB 0.873 8 residues pruned to eliminate duplicates Z: 10 7.775 2.036 0.233 0.592 0.889 0.556 CB 1.063 10 residues pruned to eliminate duplicates Z: 38 34.786 2.154 0.816 0.590 0.946 0.649 CB 1.419 38 residues pruned to eliminate duplicates Z: 41 27.261 2.028 0.526 0.489 1.000 0.575 CB 1.409 41 residues pruned to eliminate duplicates Z: 35 19.492 1.962 0.442 0.534 0.882 0.618 CB 1.296 35 residues pruned to eliminate duplicates Z: 51 33.297 2.101 0.758 0.518 0.900 0.640 CB 1.391 51 residues pruned to eliminate duplicates Z: 46 23.495 1.920 0.553 0.493 0.911 0.600 CB 1.299 46 residues pruned to eliminate duplicates Z: 50 27.687 2.038 0.629 0.478 0.939 0.592 CB 1.297 50 residues pruned to eliminate duplicates Z: 38 30.402 2.165 0.788 0.556 0.865 0.676 CB 1.414 38 residues pruned to eliminate duplicates Z: 25 21.810 1.990 0.524 0.539 0.958 0.667 CB 1.475 25 residues pruned to eliminate duplicates Z: 38 34.925 2.188 0.856 0.560 0.919 0.595 CB 1.452 38 residues pruned to eliminate duplicates Z: 51 32.104 2.060 0.738 0.541 0.880 0.600 CB 1.384 51 residues pruned to eliminate duplicates Z: 31 27.657 2.120 0.767 0.550 0.933 0.667 CB 1.375 31 residues pruned to eliminate duplicates Z: 49 34.331 2.087 0.788 0.511 0.917 0.667 CB 1.433 49 residues pruned to eliminate duplicates Z: 49 29.555 2.083 0.729 0.485 0.854 0.688 CB 1.409 49 residues pruned to eliminate duplicates Z: 50 32.513 2.060 0.732 0.524 0.918 0.694 CB 1.385 50 residues pruned to eliminate duplicates Z: 33 27.552 2.066 0.663 0.545 0.938 0.625 CB 1.448 33 residues pruned to eliminate duplicates Z: 118 52.774 2.210 0.711 0.488 0.897 0.564 CB 1.455 118 residues pruned to eliminate duplicates Z: 15 17.898 2.036 0.790 0.469 0.929 0.786 CA 1.458 15 residues pruned to eliminate duplicates Z: 49 25.355 1.966 0.608 0.498 0.896 0.542 CB 1.294 49 residues pruned to eliminate duplicates Z: 71 43.518 2.138 0.783 0.489 0.929 0.571 CB 1.486 57 residues pruned to eliminate duplicates Z: 7 4.576 1.728 0.140 0.312 1.000 0.500 CA 1.168 7 residues pruned to eliminate duplicates Z: 51 31.989 2.051 0.725 0.510 0.920 0.600 CB 1.377 41 residues pruned to eliminate duplicates Z: 6 7.360 1.768 0.739 0.445 1.000 0.200 N 1.133 6 residues pruned to eliminate duplicates Z: 18 17.818 2.326 0.561 0.405 0.882 0.529 CB 1.491 9 residues pruned to eliminate duplicates Z: 7 4.039 1.837 0.668 0.306 0.667 0.333 CA 1.001 7 residues pruned to eliminate duplicates Z: 24 15.176 2.139 0.593 0.320 0.783 0.435 CB 1.446 17 residues pruned to eliminate duplicates Z: 6 7.874 2.034 1.391 0.173 0.800 0.200 CA 1.345 6 residues pruned to eliminate duplicates Z: 18 19.191 2.303 0.924 0.402 0.824 0.529 CB 1.414 18 residues pruned to eliminate duplicates Z: 35 26.645 2.230 0.807 0.437 0.853 0.559 CB 1.419 35 residues pruned to eliminate duplicates Z: 18 16.584 2.258 0.646 0.410 0.882 0.529 CB 1.348 18 residues pruned to eliminate duplicates Z: 24 14.702 2.246 0.572 0.302 0.783 0.391 CB 1.383 24 residues pruned to eliminate duplicates Z: 75 33.980 2.106 0.687 0.461 0.878 0.554 CB 1.318 75 residues pruned to eliminate duplicates Z: 23 16.334 2.214 0.520 0.410 0.818 0.455 CB 1.390 23 residues pruned to eliminate duplicates Z: 18 13.774 2.251 0.614 0.298 0.765 0.471 CB 1.507 18 residues pruned to eliminate duplicates Z: 22 7.220 2.126 0.351 0.177 0.714 0.333 CB 1.134 22 residues pruned to eliminate duplicates Z: 8 4.398 1.999 0.565 0.199 0.571 0.429 CB 1.330 8 residues pruned to eliminate duplicates Z: 114 51.477 2.176 0.781 0.495 0.885 0.602 CB 1.418 57 residues pruned to eliminate duplicates Z: 7 6.339 1.879 0.624 0.362 0.833 0.333 CB 1.180 7 residues pruned to eliminate duplicates Z: 56 42.105 2.317 0.794 0.497 0.855 0.509 CB 1.603 56 residues pruned to eliminate duplicates Z: 57 39.302 2.324 0.747 0.483 0.839 0.536 CB 1.567 57 residues pruned to eliminate duplicates Z: 58 39.446 2.284 0.765 0.476 0.877 0.456 CB 1.515 58 residues pruned to eliminate duplicates Z: 115 50.188 2.176 0.792 0.481 0.860 0.570 CB 1.430 115 residues pruned to eliminate duplicates Z: 57 46.116 2.364 0.801 0.528 0.839 0.536 CB 1.678 57 residues pruned to eliminate duplicates Z: 78 46.076 2.204 0.748 0.469 0.883 0.494 CB 1.594 78 residues pruned to eliminate duplicates Z: 75 44.934 2.286 0.794 0.476 0.851 0.527 CB 1.533 75 residues pruned to eliminate duplicates Z: 36 34.804 2.317 0.756 0.482 0.886 0.571 CB 1.662 36 residues pruned to eliminate duplicates Z: 60 44.716 2.315 0.752 0.481 0.864 0.508 CB 1.693 60 residues pruned to eliminate duplicates Z: 62 45.020 2.326 0.823 0.476 0.918 0.557 CB 1.518 62 residues pruned to eliminate duplicates Z: 70 52.392 2.236 0.833 0.530 0.913 0.580 CB 1.636 70 residues pruned to eliminate duplicates Z: 48 32.634 2.305 0.707 0.437 0.872 0.574 CB 1.480 48 residues pruned to eliminate duplicates Z: 16 26.144 2.275 0.665 0.666 1.000 0.667 CB 1.528 16 residues pruned to eliminate duplicates Z: 56 49.602 2.358 0.795 0.560 0.927 0.618 CB 1.607 56 residues pruned to eliminate duplicates Z: 32 39.770 2.354 0.908 0.540 0.903 0.613 CB 1.692 32 residues pruned to eliminate duplicates Z: 44 34.961 2.306 0.790 0.486 0.837 0.535 CB 1.565 44 residues pruned to eliminate duplicates Z: 17 26.747 2.241 0.895 0.581 0.875 0.625 CB 1.665 17 residues pruned to eliminate duplicates Z: 108 56.460 2.219 0.774 0.495 0.916 0.561 CB 1.521 108 residues pruned to eliminate duplicates Z: 43 35.381 2.324 0.852 0.502 0.833 0.452 CB 1.519 43 residues pruned to eliminate duplicates Z: 44 37.980 2.289 0.810 0.511 0.884 0.558 CB 1.564 44 residues pruned to eliminate duplicates Z: 43 35.005 2.283 0.809 0.509 0.810 0.548 CB 1.602 43 residues pruned to eliminate duplicates Z: 19 25.665 2.173 0.927 0.491 0.944 0.500 CB 1.543 19 residues pruned to eliminate duplicates Z: 87 48.166 2.263 0.791 0.505 0.860 0.558 CB 1.481 87 residues pruned to eliminate duplicates Z: 62 42.733 2.200 0.712 0.496 0.902 0.623 CB 1.618 62 residues pruned to eliminate duplicates Z: 56 46.216 2.355 0.784 0.528 0.909 0.527 CB 1.587 56 residues pruned to eliminate duplicates Z: 100 47.223 2.255 0.693 0.469 0.848 0.576 CB 1.512 100 residues pruned to eliminate duplicates Z: 81 47.642 2.248 0.817 0.476 0.875 0.538 CB 1.527 81 residues pruned to eliminate duplicates Z: 45 43.980 2.338 0.893 0.508 0.909 0.477 CB 1.634 45 residues pruned to eliminate duplicates Z: 31 41.574 2.383 1.114 0.512 0.900 0.600 CB 1.654 31 residues pruned to eliminate duplicates Z: 57 46.925 2.359 0.758 0.535 0.893 0.482 CB 1.636 57 residues pruned to eliminate duplicates Z: 81 45.714 2.271 0.793 0.470 0.863 0.538 CB 1.500 81 residues pruned to eliminate duplicates Z: 58 46.220 2.349 0.930 0.505 0.807 0.474 CB 1.664 58 residues pruned to eliminate duplicates Z: 55 49.798 2.388 0.823 0.558 0.889 0.537 CB 1.655 55 residues pruned to eliminate duplicates Z: 54 50.424 2.363 1.033 0.527 0.887 0.585 CB 1.583 54 residues pruned to eliminate duplicates Z: 54 49.181 2.327 0.894 0.528 0.868 0.547 CB 1.718 54 residues pruned to eliminate duplicates Z: 76 49.725 2.325 0.844 0.499 0.880 0.520 CB 1.522 76 residues pruned to eliminate duplicates Z: 53 46.235 2.360 0.935 0.527 0.808 0.577 CB 1.692 53 residues pruned to eliminate duplicates Z: 63 51.295 2.317 0.877 0.545 0.903 0.613 CB 1.587 63 residues pruned to eliminate duplicates Z: 28 20.689 2.226 0.568 0.382 0.778 0.333 CB 1.663 28 residues pruned to eliminate duplicates Z: 56 43.608 2.198 0.816 0.509 0.909 0.564 CB 1.606 56 residues pruned to eliminate duplicates Z: 56 44.704 2.304 0.836 0.550 0.873 0.618 CB 1.556 56 residues pruned to eliminate duplicates Z: 57 46.362 2.358 0.929 0.526 0.821 0.482 CB 1.616 57 residues pruned to eliminate duplicates Z: 74 49.719 2.333 0.853 0.487 0.863 0.562 CB 1.580 74 residues pruned to eliminate duplicates Z: 57 46.220 2.368 0.807 0.537 0.839 0.518 CB 1.659 57 residues pruned to eliminate duplicates Z: 52 41.464 2.331 0.746 0.560 0.824 0.647 CB 1.634 52 residues pruned to eliminate duplicates Z: 76 45.499 2.311 0.762 0.458 0.867 0.520 CB 1.554 76 residues pruned to eliminate duplicates Z: 44 44.011 2.352 0.872 0.532 0.860 0.558 CB 1.716 44 residues pruned to eliminate duplicates Z: 75 44.818 2.282 0.774 0.470 0.865 0.568 CB 1.534 75 residues pruned to eliminate duplicates Z: 17 23.902 2.295 0.667 0.483 0.938 0.562 CB 1.696 17 residues pruned to eliminate duplicates Z: 71 50.295 2.258 0.898 0.540 0.857 0.586 CB 1.574 71 residues pruned to eliminate duplicates Z: 52 47.790 2.307 0.801 0.564 0.922 0.647 CB 1.641 52 residues pruned to eliminate duplicates Z: 54 45.784 2.355 0.929 0.533 0.811 0.566 CB 1.652 54 residues pruned to eliminate duplicates Z: 19 14.710 2.110 0.495 0.444 0.833 0.444 CB 1.397 19 residues pruned to eliminate duplicates Z: 83 48.004 2.258 0.799 0.493 0.841 0.561 CB 1.561 83 residues pruned to eliminate duplicates Z: 26 20.216 2.068 0.703 0.466 0.880 0.720 CB 1.350 26 residues pruned to eliminate duplicates Z: 26 22.771 2.110 0.673 0.481 0.880 0.600 CB 1.494 26 residues pruned to eliminate duplicates Z: 24 24.630 2.234 0.594 0.525 0.870 0.696 CB 1.618 24 residues pruned to eliminate duplicates Z: 76 53.134 2.350 0.647 0.493 0.960 0.613 CB 1.663 145 residues pruned to eliminate duplicates Z: 27 24.134 2.171 0.592 0.502 0.923 0.577 CB 1.481 27 residues pruned to eliminate duplicates Z: 40 34.975 2.263 0.604 0.512 0.949 0.590 CB 1.607 40 residues pruned to eliminate duplicates Z: 27 24.195 2.133 0.562 0.535 0.885 0.731 CB 1.555 27 residues pruned to eliminate duplicates Z: 25 26.395 2.222 0.631 0.545 0.875 0.708 CA 1.627 25 residues pruned to eliminate duplicates Z: 62 39.204 2.194 0.637 0.496 0.934 0.541 CB 1.502 62 residues pruned to eliminate duplicates Z: 43 37.543 2.302 0.615 0.521 0.929 0.595 CB 1.643 43 residues pruned to eliminate duplicates Z: 26 24.517 2.190 0.637 0.502 0.880 0.600 CB 1.550 26 residues pruned to eliminate duplicates Z: 18 17.325 2.263 0.277 0.473 0.882 0.588 CB 1.693 18 residues pruned to eliminate duplicates Z: 38 31.253 2.198 0.624 0.535 0.892 0.568 CB 1.559 38 residues pruned to eliminate duplicates Z: 76 48.725 2.317 0.604 0.466 0.947 0.507 CB 1.655 76 residues pruned to eliminate duplicates Z: 49 38.088 2.285 0.666 0.517 0.938 0.604 CB 1.515 49 residues pruned to eliminate duplicates Z: 99 55.402 2.272 0.731 0.461 0.918 0.571 CB 1.614 99 residues pruned to eliminate duplicates Z: 24 27.701 2.193 0.738 0.550 0.913 0.652 CB 1.581 24 residues pruned to eliminate duplicates Z: 40 33.373 2.317 0.730 0.513 0.846 0.538 CB 1.555 40 residues pruned to eliminate duplicates Z: 41 39.548 2.314 0.852 0.527 0.875 0.625 CB 1.623 41 residues pruned to eliminate duplicates Z: 59 36.569 2.185 0.734 0.529 0.879 0.621 CB 1.402 59 residues pruned to eliminate duplicates Z: 63 44.408 2.288 0.676 0.511 0.935 0.597 CB 1.556 63 residues pruned to eliminate duplicates Z: 54 39.597 2.315 0.622 0.505 0.887 0.585 CB 1.626 54 residues pruned to eliminate duplicates Z: 60 47.342 2.315 0.697 0.518 0.932 0.576 CB 1.654 60 residues pruned to eliminate duplicates Z: 71 50.587 2.367 0.695 0.471 0.943 0.543 CB 1.647 71 residues pruned to eliminate duplicates Z: 76 58.384 2.338 0.722 0.526 0.960 0.560 CB 1.700 76 residues pruned to eliminate duplicates Z: 20 21.544 2.289 0.615 0.460 0.842 0.421 CA 1.654 20 residues pruned to eliminate duplicates Z: 51 41.823 2.360 0.618 0.488 0.920 0.500 CB 1.704 Z: 7 5.420 1.730 0.196 0.527 0.833 0.333 CA 1.250 7 residues pruned to eliminate duplicates Z: 77 52.399 2.316 0.697 0.499 0.934 0.566 CB 1.639 128 residues pruned to eliminate duplicates Z: 71 46.497 2.323 0.604 0.473 0.929 0.571 CB 1.651 71 residues pruned to eliminate duplicates Z: 18 19.168 2.334 0.373 0.470 0.882 0.529 CA 1.695 18 residues pruned to eliminate duplicates Z: 39 32.537 2.274 0.620 0.488 0.868 0.579 CB 1.670 39 residues pruned to eliminate duplicates Z: 54 42.430 2.350 0.633 0.478 0.925 0.547 CB 1.679 54 residues pruned to eliminate duplicates Z: 75 49.629 2.298 0.628 0.471 0.946 0.541 CB 1.678 75 residues pruned to eliminate duplicates Z: 38 35.624 2.334 0.651 0.466 0.919 0.568 CB 1.712 38 residues pruned to eliminate duplicates Z: 69 47.052 2.309 0.598 0.489 0.956 0.574 CB 1.636 69 residues pruned to eliminate duplicates Z: 54 42.614 2.301 0.661 0.445 0.962 0.528 CB 1.684 54 residues pruned to eliminate duplicates Z: 38 33.321 2.354 0.536 0.453 0.973 0.514 CB 1.634 38 residues pruned to eliminate duplicates Z: 77 56.816 2.332 0.762 0.498 0.947 0.579 CB 1.677 77 residues pruned to eliminate duplicates Z: 79 53.276 2.308 0.691 0.515 0.923 0.590 CB 1.649 79 residues pruned to eliminate duplicates Z: 37 30.049 2.248 0.559 0.438 0.972 0.583 CB 1.567 Z: 8 5.754 1.721 0.664 0.348 0.714 0.571 CA 1.253 Z: 7 6.468 1.668 0.683 0.340 1.000 0.500 CA 1.121 7 residues pruned to eliminate duplicates Z: 43 38.110 2.273 0.606 0.511 0.976 0.595 CB 1.632 80 residues pruned to eliminate duplicates Z: 51 49.041 2.409 0.692 0.520 0.940 0.600 CB 1.776 Z: 7 3.010 1.718 0.202 0.264 0.833 0.500 CA 0.934 7 residues pruned to eliminate duplicates Z: 55 36.383 2.327 0.431 0.450 0.926 0.500 CB 1.691 55 residues pruned to eliminate duplicates Z: 52 42.460 2.334 0.554 0.483 0.961 0.510 CB 1.735 52 residues pruned to eliminate duplicates Z: 78 49.772 2.288 0.651 0.471 0.935 0.532 CB 1.655 137 residues pruned to eliminate duplicates Z: 59 40.313 2.334 0.529 0.437 0.931 0.448 CB 1.700 59 residues pruned to eliminate duplicates Z: 71 49.796 2.300 0.656 0.478 0.943 0.586 CB 1.694 71 residues pruned to eliminate duplicates Z: 54 42.414 2.372 0.561 0.466 0.962 0.547 CB 1.693 54 residues pruned to eliminate duplicates Z: 56 49.902 2.365 0.735 0.465 0.982 0.545 CB 1.730 56 residues pruned to eliminate duplicates Z: 52 43.508 2.325 0.716 0.445 0.941 0.569 CB 1.716 Z: 6 2.373 1.510 0.540 0.140 0.800 0.200 CA 0.891 6 residues pruned to eliminate duplicates Z: 20 27.764 2.388 0.653 0.494 0.947 0.474 CB 1.713 21 residues pruned to eliminate duplicates Z: 6 5.794 2.109 0.275 0.297 1.000 0.000 CB 1.210 6 residues pruned to eliminate duplicates Z: 55 42.934 2.295 0.666 0.456 0.926 0.519 CB 1.725 51 residues pruned to eliminate duplicates Z: 6 7.782 1.975 0.766 0.250 1.000 0.400 CB 1.331 6 residues pruned to eliminate duplicates Z: 83 50.491 2.306 0.694 0.470 0.902 0.561 CB 1.631 138 residues pruned to eliminate duplicates Z: 54 41.959 2.359 0.643 0.454 0.925 0.585 CB 1.687 54 residues pruned to eliminate duplicates Z: 111 51.508 2.263 0.713 0.438 0.836 0.518 CB 1.615 111 residues pruned to eliminate duplicates Z: 15 26.745 2.391 0.817 0.535 0.929 0.643 CA 1.712 Z: 6 5.279 1.813 0.449 0.459 1.000 0.600 CA 0.937 6 residues pruned to eliminate duplicates Z: 20 36.860 2.333 1.081 0.504 1.000 0.632 CB 1.735 15 residues pruned to eliminate duplicates Z: 6 8.736 1.763 1.588 0.453 0.800 0.600 C 1.123 Z: 6 5.946 1.993 1.052 0.373 0.600 0.600 CB 1.242 5 residues pruned to eliminate duplicates Z: 6 8.396 2.094 0.975 0.252 1.000 0.600 CB 1.208 3 residues pruned to eliminate duplicates Z: 21 23.581 2.221 1.166 0.405 0.800 0.500 CB 1.513 10 residues pruned to eliminate duplicates Z: 6 8.853 2.076 1.304 0.296 1.000 0.600 CB 1.039 6 residues pruned to eliminate duplicates Z: 12 22.810 2.239 1.449 0.592 0.818 0.636 CB 1.404 12 residues pruned to eliminate duplicates Z: 6 3.063 1.380 1.286 0.339 1.000 0.800 CB 0.517 6 residues pruned to eliminate duplicates Z: 11 26.488 2.031 1.367 0.808 0.900 0.600 CA 1.480 11 residues pruned to eliminate duplicates Z: 22 18.095 1.837 0.937 0.469 0.857 0.429 CB 1.337 22 residues pruned to eliminate duplicates Z: 16 15.039 2.041 0.618 0.542 0.800 0.400 CB 1.410 16 residues pruned to eliminate duplicates Z: 10 20.908 2.154 1.151 0.848 0.667 0.556 CA 1.674 10 residues pruned to eliminate duplicates Z: 39 28.486 2.043 0.846 0.540 0.868 0.579 CB 1.356 39 residues pruned to eliminate duplicates Z: 12 21.314 1.980 1.175 0.810 0.727 0.273 CA 1.567 12 residues pruned to eliminate duplicates Z: 12 23.002 1.993 1.133 0.653 0.909 0.455 CB 1.556 12 residues pruned to eliminate duplicates Z: 13 16.117 1.706 1.256 0.684 0.750 0.500 CA 1.361 13 residues pruned to eliminate duplicates Z: 18 18.901 1.958 0.960 0.533 0.824 0.588 CB 1.403 18 residues pruned to eliminate duplicates Z: 16 26.881 2.077 1.316 0.610 0.867 0.600 CB 1.499 16 residues pruned to eliminate duplicates Z: 6 3.986 1.771 0.951 0.446 0.600 0.400 CB 0.909 6 residues pruned to eliminate duplicates Z: 37 23.627 1.982 0.733 0.533 0.861 0.528 CB 1.289 38 residues pruned to eliminate duplicates Z: 6 7.003 1.650 0.976 0.285 1.000 0.400 CB 1.224 6 residues pruned to eliminate duplicates Z: 29 17.059 2.002 0.623 0.511 0.857 0.571 CB 1.145 29 residues pruned to eliminate duplicates Z: 27 17.550 2.020 0.565 0.494 0.885 0.500 CB 1.238 27 residues pruned to eliminate duplicates Z: 19 18.783 2.146 0.776 0.462 0.889 0.444 CB 1.359 19 residues pruned to eliminate duplicates Z: 27 20.771 1.935 0.834 0.532 0.923 0.538 CB 1.205 27 residues pruned to eliminate duplicates Z: 24 15.458 2.073 0.639 0.475 0.783 0.478 CB 1.243 24 residues pruned to eliminate duplicates Z: 34 25.940 2.087 0.655 0.499 0.909 0.485 CB 1.441 34 residues pruned to eliminate duplicates Z: 20 17.611 2.072 0.827 0.477 0.895 0.632 CB 1.221 20 residues pruned to eliminate duplicates Z: 40 26.410 1.987 0.762 0.545 0.872 0.641 CB 1.325 40 residues pruned to eliminate duplicates Z: 16 11.187 1.846 0.510 0.483 0.933 0.667 CB 1.129 16 residues pruned to eliminate duplicates Z: 29 15.431 1.925 0.729 0.432 0.786 0.536 CB 1.196 29 residues pruned to eliminate duplicates Z: 24 17.324 2.037 0.684 0.494 0.870 0.652 CB 1.218 24 residues pruned to eliminate duplicates Z: 16 13.964 1.924 0.584 0.551 1.000 0.733 CB 1.126 16 residues pruned to eliminate duplicates Z: 28 20.404 2.006 0.724 0.515 0.889 0.667 CB 1.258 28 residues pruned to eliminate duplicates Z: 59 21.543 1.928 0.585 0.444 0.828 0.534 CB 1.185 192 residues pruned to eliminate duplicates Z: 6 6.115 1.728 0.739 0.476 0.800 0.600 CB 1.165 6 residues pruned to eliminate duplicates Z: 13 12.110 2.190 0.635 0.367 0.833 0.417 CB 1.352 13 residues pruned to eliminate duplicates Z: 26 21.219 2.272 0.595 0.377 0.880 0.480 CB 1.517 26 residues pruned to eliminate duplicates Z: 11 12.203 2.323 0.536 0.348 0.800 0.500 CB 1.594 11 residues pruned to eliminate duplicates Z: 9 12.628 2.244 0.764 0.307 0.875 0.375 CA 1.598 9 residues pruned to eliminate duplicates Z: 60 46.012 2.364 0.870 0.487 0.864 0.610 CB 1.588 60 residues pruned to eliminate duplicates Z: 6 2.596 1.787 0.412 0.100 0.600 0.000 CB 1.278 6 residues pruned to eliminate duplicates Z: 58 42.387 2.328 0.805 0.485 0.895 0.544 CB 1.517 58 residues pruned to eliminate duplicates Z: 60 41.077 2.323 0.977 0.452 0.847 0.593 CB 1.442 60 residues pruned to eliminate duplicates Z: 52 44.754 2.335 1.076 0.493 0.863 0.608 CB 1.509 52 residues pruned to eliminate duplicates Z: 69 41.969 2.280 0.735 0.467 0.912 0.603 CB 1.459 69 residues pruned to eliminate duplicates Z: 68 49.060 2.330 0.835 0.502 0.896 0.597 CB 1.563 68 residues pruned to eliminate duplicates Z: 19 15.222 2.315 0.633 0.362 0.833 0.500 CB 1.322 19 residues pruned to eliminate duplicates Z: 66 43.483 2.345 0.818 0.473 0.862 0.646 CB 1.509 66 residues pruned to eliminate duplicates Z: 61 38.292 2.293 0.895 0.485 0.800 0.600 CB 1.444 61 residues pruned to eliminate duplicates Z: 64 43.072 2.354 0.835 0.475 0.873 0.603 CB 1.477 64 residues pruned to eliminate duplicates Z: 64 46.996 2.374 0.890 0.474 0.873 0.540 CB 1.552 64 residues pruned to eliminate duplicates Z: 25 19.447 2.204 0.654 0.364 0.875 0.542 CB 1.440 25 residues pruned to eliminate duplicates Z: 68 45.374 2.332 0.843 0.441 0.925 0.597 CB 1.481 68 residues pruned to eliminate duplicates Z: 85 51.966 2.288 0.814 0.507 0.893 0.631 CB 1.520 85 residues pruned to eliminate duplicates Z: 57 46.344 2.347 0.980 0.479 0.893 0.607 CB 1.524 57 residues pruned to eliminate duplicates Z: 58 38.369 2.265 0.869 0.431 0.912 0.579 CB 1.413 58 residues pruned to eliminate duplicates Z: 61 39.646 2.282 0.934 0.443 0.867 0.567 CB 1.419 61 residues pruned to eliminate duplicates Z: 52 44.029 2.382 0.984 0.491 0.882 0.627 CB 1.493 52 residues pruned to eliminate duplicates Z: 72 41.657 2.292 0.863 0.469 0.817 0.563 CB 1.462 72 residues pruned to eliminate duplicates Z: 52 40.282 2.323 0.762 0.465 0.922 0.647 CB 1.550 52 residues pruned to eliminate duplicates Z: 50 45.045 2.374 0.935 0.485 0.918 0.612 CB 1.548 50 residues pruned to eliminate duplicates Z: 60 45.215 2.362 0.922 0.452 0.864 0.525 CB 1.575 60 residues pruned to eliminate duplicates Z: 55 42.608 2.226 0.903 0.507 0.907 0.611 CB 1.498 55 residues pruned to eliminate duplicates Z: 51 45.647 2.344 0.970 0.506 0.900 0.620 CB 1.544 51 residues pruned to eliminate duplicates Z: 32 38.944 2.372 0.911 0.542 0.903 0.677 CB 1.640 32 residues pruned to eliminate duplicates Z: 40 47.025 2.382 1.001 0.573 0.949 0.744 CB 1.552 40 residues pruned to eliminate duplicates Z: 33 30.157 2.258 0.927 0.467 0.844 0.625 CB 1.502 33 residues pruned to eliminate duplicates Z: 26 33.184 2.282 1.012 0.533 0.960 0.600 CB 1.458 26 residues pruned to eliminate duplicates Z: 58 43.229 2.360 0.922 0.480 0.860 0.614 CB 1.498 58 residues pruned to eliminate duplicates Z: 50 37.946 2.301 0.862 0.487 0.898 0.612 CB 1.428 50 residues pruned to eliminate duplicates Z: 77 41.701 2.242 0.890 0.457 0.855 0.579 CB 1.379 77 residues pruned to eliminate duplicates Z: 26 31.937 2.301 1.068 0.523 0.840 0.600 CB 1.562 26 residues pruned to eliminate duplicates Z: 54 37.053 2.339 0.789 0.476 0.868 0.547 CB 1.436 54 residues pruned to eliminate duplicates Z: 57 40.596 2.332 0.921 0.453 0.893 0.607 CB 1.423 57 residues pruned to eliminate duplicates Z: 51 34.594 2.326 0.748 0.467 0.860 0.540 CB 1.446 51 residues pruned to eliminate duplicates Z: 52 42.736 2.336 0.996 0.468 0.882 0.529 CB 1.502 52 residues pruned to eliminate duplicates Z: 60 47.445 2.369 0.958 0.493 0.881 0.712 CB 1.521 60 residues pruned to eliminate duplicates Z: 57 39.750 2.331 0.830 0.466 0.893 0.643 CB 1.444 57 residues pruned to eliminate duplicates Z: 47 42.370 2.311 0.883 0.516 0.957 0.630 CB 1.478 47 residues pruned to eliminate duplicates Z: 49 40.534 2.335 0.866 0.485 0.896 0.583 CB 1.522 49 residues pruned to eliminate duplicates Z: 77 46.587 2.283 0.838 0.497 0.895 0.579 CB 1.428 77 residues pruned to eliminate duplicates Z: 32 28.285 2.151 0.745 0.433 0.968 0.516 CB 1.500 32 residues pruned to eliminate duplicates Z: 13 26.776 2.222 1.074 0.524 1.000 0.667 CB 1.638 13 residues pruned to eliminate duplicates Z: 57 43.590 2.354 0.865 0.459 0.911 0.571 CB 1.519 57 residues pruned to eliminate duplicates Z: 51 44.107 2.346 0.924 0.526 0.860 0.580 CB 1.566 51 residues pruned to eliminate duplicates Z: 65 45.019 2.359 0.872 0.488 0.891 0.594 CB 1.448 65 residues pruned to eliminate duplicates Z: 14 17.498 2.154 0.883 0.547 0.769 0.615 CB 1.486 14 residues pruned to eliminate duplicates Z: 77 48.312 2.284 0.846 0.504 0.882 0.632 CB 1.486 77 residues pruned to eliminate duplicates Z: 16 13.636 2.047 0.607 0.429 0.800 0.400 CA 1.439 16 residues pruned to eliminate duplicates Z: 35 21.701 2.091 0.537 0.490 0.882 0.588 CB 1.326 35 residues pruned to eliminate duplicates Z: 57 42.249 2.339 0.889 0.489 0.875 0.589 CB 1.476 57 residues pruned to eliminate duplicates Z: 28 19.547 2.041 0.787 0.491 0.815 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 15 14.308 2.160 0.868 0.423 0.714 0.571 CB 1.437 15 residues pruned to eliminate duplicates Z: 69 47.880 2.298 0.855 0.518 0.912 0.574 CB 1.467 69 residues pruned to eliminate duplicates Z: 32 17.893 1.996 0.576 0.393 0.774 0.613 CB 1.478 32 residues pruned to eliminate duplicates Z: 30 24.793 2.143 0.594 0.472 0.931 0.621 CB 1.490 30 residues pruned to eliminate duplicates Z: 60 26.784 2.197 0.636 0.381 0.814 0.576 CB 1.353 60 residues pruned to eliminate duplicates Z: 36 27.596 2.138 0.673 0.518 0.886 0.629 CB 1.446 36 residues pruned to eliminate duplicates Z: 33 20.954 2.055 0.546 0.440 0.875 0.562 CB 1.418 33 residues pruned to eliminate duplicates Z: 29 19.571 2.036 0.555 0.418 0.929 0.571 CB 1.371 29 residues pruned to eliminate duplicates Z: 34 21.117 2.033 0.556 0.484 0.879 0.727 CB 1.344 34 residues pruned to eliminate duplicates Z: 31 20.992 2.084 0.546 0.426 0.933 0.500 CB 1.377 31 residues pruned to eliminate duplicates Z: 24 22.815 2.170 0.580 0.486 0.913 0.565 CB 1.540 24 residues pruned to eliminate duplicates Z: 69 41.005 2.244 0.802 0.472 0.868 0.574 CB 1.458 69 residues pruned to eliminate duplicates Z: 39 22.191 1.988 0.520 0.468 0.868 0.579 CB 1.418 39 residues pruned to eliminate duplicates Z: 27 21.944 2.103 0.717 0.489 0.846 0.500 CB 1.424 27 residues pruned to eliminate duplicates Z: 70 46.094 2.283 0.866 0.493 0.870 0.609 CB 1.509 70 residues pruned to eliminate duplicates Z: 35 22.452 2.085 0.578 0.462 0.853 0.676 CB 1.426 35 residues pruned to eliminate duplicates Z: 37 21.367 1.966 0.652 0.433 0.833 0.639 CB 1.411 37 residues pruned to eliminate duplicates Z: 6 4.142 1.873 1.011 0.452 0.600 0.600 CB 0.861 6 residues pruned to eliminate duplicates Z: 6 3.935 1.785 0.588 0.430 0.600 0.600 CA 1.113 Z: 6 2.811 1.381 0.302 0.386 1.000 0.600 CA 0.789 6 residues pruned to eliminate duplicates Z: 12 9.587 1.893 0.655 0.568 0.727 0.727 CB 1.188 18 residues pruned to eliminate duplicates Z: 11 12.264 1.969 0.484 0.640 0.900 0.800 CB 1.293 11 residues pruned to eliminate duplicates Z: 15 14.677 1.907 0.542 0.495 0.929 0.643 CB 1.444 15 residues pruned to eliminate duplicates Z: 6 4.437 1.756 0.312 0.306 1.000 0.400 CA 1.068 6 residues pruned to eliminate duplicates Z: 10 8.526 2.030 0.752 0.418 0.667 0.667 CB 1.306 10 residues pruned to eliminate duplicates Z: 11 4.916 1.653 0.409 0.385 0.700 0.400 CB 1.077 11 residues pruned to eliminate duplicates Z: 9 4.076 1.695 0.134 0.212 0.875 0.250 CB 1.203 9 residues pruned to eliminate duplicates Z: 11 7.858 1.889 0.501 0.428 0.700 0.500 CB 1.350 11 residues pruned to eliminate duplicates Z: 12 8.710 1.742 0.870 0.379 0.727 0.455 CB 1.261 12 residues pruned to eliminate duplicates Z: 13 14.039 2.028 0.646 0.518 0.833 0.583 CB 1.430 13 residues pruned to eliminate duplicates Z: 10 7.447 1.805 0.562 0.381 0.667 0.444 CB 1.499 10 residues pruned to eliminate duplicates Z: 15 12.790 1.867 0.534 0.514 0.786 0.571 CB 1.499 15 residues pruned to eliminate duplicates Z: 23 14.315 1.802 0.352 0.465 0.864 0.591 CA 1.503 21 residues pruned to eliminate duplicates Z: 6 5.075 1.565 0.665 0.422 1.000 0.600 CA 0.944 6 residues pruned to eliminate duplicates Z: 19 21.749 2.128 0.754 0.538 0.944 0.611 CB 1.402 19 residues pruned to eliminate duplicates Z: 21 18.651 2.010 0.623 0.488 0.950 0.550 CB 1.362 21 residues pruned to eliminate duplicates Z: 19 21.420 2.143 0.650 0.556 0.944 0.611 CB 1.433 19 residues pruned to eliminate duplicates Z: 12 5.645 1.856 0.388 0.385 0.636 0.545 CB 1.174 12 residues pruned to eliminate duplicates Z: 21 15.233 2.023 0.577 0.447 0.850 0.600 CB 1.326 21 residues pruned to eliminate duplicates Z: 16 19.030 2.089 0.950 0.426 1.000 0.533 CB 1.302 13 residues pruned to eliminate duplicates Z: 6 2.101 1.741 0.306 0.139 0.800 0.400 CA 0.809 6 residues pruned to eliminate duplicates Z: 21 24.019 2.051 0.853 0.534 1.000 0.600 CB 1.366 21 residues pruned to eliminate duplicates Z: 13 14.058 1.873 0.821 0.464 1.000 0.750 CB 1.235 13 residues pruned to eliminate duplicates Z: 36 22.813 2.069 0.592 0.466 0.886 0.400 CB 1.368 43 residues pruned to eliminate duplicates 6 1.574 1.470 0.826 0.100 0.600 0.400 CA 0.728 ? Z: 6 5.733 1.764 0.633 0.406 0.800 0.400 CA 1.228 6 residues pruned to eliminate duplicates Z: 14 12.551 2.128 0.701 0.391 0.923 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 34 21.438 2.074 0.780 0.444 0.848 0.606 CB 1.262 96 residues pruned to eliminate duplicates Z: 11 9.006 2.127 0.108 0.412 0.900 0.300 CB 1.473 Z: 8 3.180 1.690 0.328 0.220 0.857 0.429 CB 0.868 7 residues pruned to eliminate duplicates 399 residues left after pruning, divided into chains as follows: A: 9 B: 9 C: 7 D: 24 E: 15 F: 20 G: 11 H: 49 I: 103 J: 141 K: 11 CC for partial structure against native data = 33.33 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.456, Connect. = 0.700 for dens.mod. cycle 1 = 0.301, Contrast = 0.522, Connect. = 0.728 for dens.mod. cycle 2 = 0.301, Contrast = 0.621, Connect. = 0.766 for dens.mod. cycle 3 = 0.301, Contrast = 0.625, Connect. = 0.768 for dens.mod. cycle 4 = 0.301, Contrast = 0.635, Connect. = 0.772 for dens.mod. cycle 5 = 0.301, Contrast = 0.639, Connect. = 0.775 for dens.mod. cycle 6 = 0.301, Contrast = 0.643, Connect. = 0.777 for dens.mod. cycle 7 = 0.301, Contrast = 0.646, Connect. = 0.779 for dens.mod. cycle 8 = 0.301, Contrast = 0.648, Connect. = 0.780 for dens.mod. cycle 9 TimeTaking 209