++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 21:55:57 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: ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.ins Phases from ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phi Native data from ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.hkl Listing output to ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.lst Phases output to ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phs Poly-Ala trace output to ./1vl4-2.3-parrot-noncs/1vl4-2.3-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 44794 Reflections read from file ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.phi 44794 Reflections read from file ./1vl4-2.3-parrot-noncs/1vl4-2.3-parrot-noncs.hkl 44794 Unique data, highest resolution = 2.320 Angstroms Anisotropic scaling: intensities multiplied by 0.000146h^2 +0.000070k^2 -0.000096l^2 +0.000000kl +0.000000hl +0.000000hk 128 Reflections with d > 2.520 and 0 in range 2.520 > d > 2.320 added Density sharpening factor set to 0.27 Fourier grid = 128 x 256 x 39 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.650 ** -f missing ?? ** = 0.257, Contrast = 0.146, Connect. = 0.584 for dens.mod. cycle 1 = 0.266, Contrast = 0.337, Connect. = 0.614 for dens.mod. cycle 2 = 0.275, Contrast = 0.527, Connect. = 0.705 for dens.mod. cycle 3 = 0.287, Contrast = 0.618, Connect. = 0.737 for dens.mod. cycle 4 = 0.296, Contrast = 0.651, Connect. = 0.748 for dens.mod. cycle 5 = 0.300, Contrast = 0.665, Connect. = 0.754 for dens.mod. cycle 6 = 0.300, Contrast = 0.676, Connect. = 0.759 for dens.mod. cycle 7 = 0.300, Contrast = 0.689, Connect. = 0.763 for dens.mod. cycle 8 = 0.300, Contrast = 0.696, Connect. = 0.766 for dens.mod. cycle 9 = 0.300, Contrast = 0.699, Connect. = 0.769 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3362 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 780 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 8 6.228 1.790 0.497 0.273 0.857 0.571 CB 1.325 B: 12 6.568 1.694 0.794 0.289 0.818 0.364 CB 1.010 C: 14 8.754 1.608 0.525 0.327 1.000 0.308 CB 1.198 D: 11 11.513 1.605 0.809 0.873 1.000 0.400 CB 0.913 E: 20 17.384 1.710 0.571 0.672 0.947 0.579 CB 1.337 F: 20 14.936 1.736 0.651 0.824 1.000 0.789 CB 0.903 G: 19 15.643 1.708 0.841 0.855 0.889 0.722 CB 0.974 H: 17 17.651 1.602 0.585 0.890 1.000 0.875 CB 1.250 I: 15 18.260 1.672 0.644 0.926 1.000 0.857 CB 1.245 14 residues pruned to eliminate duplicates J: 12 11.316 1.709 0.679 0.577 0.909 0.727 CB 1.214 K: 13 14.651 1.715 1.060 0.924 0.917 0.583 CB 0.917 L: 12 16.490 1.618 0.895 0.793 1.000 0.818 CB 1.254 12 residues pruned to eliminate duplicates M: 23 13.981 1.699 0.451 0.711 0.909 0.773 CB 1.098 15 residues pruned to eliminate duplicates N: 19 15.714 1.710 0.734 0.862 1.000 0.778 CB 0.917 19 residues pruned to eliminate duplicates O: 9 7.364 1.469 0.564 0.705 0.875 0.375 N 1.075 P: 19 13.954 1.670 0.797 0.580 1.000 0.611 CB 1.014 17 residues pruned to eliminate duplicates Q: 12 13.437 1.726 0.469 0.888 1.000 1.000 CB 1.152 12 residues pruned to eliminate duplicates R: 10 10.517 1.512 0.656 0.637 1.000 0.778 N 1.232 S: 13 14.140 1.670 0.873 0.772 0.833 0.833 CB 1.231 T: 20 16.561 1.690 0.739 0.811 0.947 0.737 CB 1.041 21 residues pruned to eliminate duplicates U: 11 13.129 1.815 0.713 0.650 0.900 0.700 N 1.290 V: 19 13.403 1.582 0.778 0.641 0.889 0.611 CB 1.107 13 residues pruned to eliminate duplicates W: 16 11.681 1.659 0.462 0.919 1.000 0.933 CB 0.877 X: 16 18.239 1.696 0.706 0.916 0.933 0.933 CB 1.232 17 residues pruned to eliminate duplicates Y: 16 12.256 1.699 0.705 0.429 0.800 0.467 CB 1.470 Z: 7 8.341 1.605 0.531 0.842 1.000 1.000 CB 1.032 Z: 26 12.678 1.792 0.680 0.308 0.880 0.720 CB 1.184 19 residues pruned to eliminate duplicates Z: 18 17.340 1.550 0.677 0.911 1.000 0.941 CB 1.146 18 residues pruned to eliminate duplicates Z: 18 12.406 1.664 0.595 0.426 1.000 0.471 CB 1.224 Z: 17 13.704 1.765 0.539 0.660 0.938 0.688 CB 1.159 17 residues pruned to eliminate duplicates Z: 6 2.697 1.545 0.270 0.424 0.800 0.400 N 0.831 Z: 10 4.014 1.595 0.377 0.239 0.778 0.444 CA 1.059 10 residues pruned to eliminate duplicates Z: 18 21.833 1.709 1.128 0.711 1.000 0.706 CB 1.203 13 residues pruned to eliminate duplicates Z: 21 8.905 1.775 0.766 0.336 0.750 0.300 CB 1.013 11 residues pruned to eliminate duplicates Z: 19 11.763 1.535 0.277 0.789 1.000 0.500 CB 1.097 Z: 8 8.585 1.734 0.578 0.571 0.857 0.571 CB 1.292 7 residues pruned to eliminate duplicates Z: 9 8.438 1.735 0.510 0.554 0.875 0.500 CB 1.235 9 residues pruned to eliminate duplicates Z: 13 8.696 1.699 0.835 0.238 0.750 0.500 CB 1.455 Z: 17 13.936 1.749 0.672 0.546 0.875 0.562 CB 1.302 7 residues pruned to eliminate duplicates Z: 6 5.890 1.781 0.046 0.726 1.000 0.600 CB 1.153 Z: 16 12.188 1.680 0.755 0.572 0.933 0.667 CB 1.067 12 residues pruned to eliminate duplicates Z: 10 3.232 1.479 0.361 0.360 0.667 0.444 CB 0.933 Z: 9 9.205 1.467 0.557 0.837 1.000 0.750 CB 1.066 Z: 19 14.239 1.757 0.742 0.862 0.889 0.667 CB 0.906 19 residues pruned to eliminate duplicates Z: 20 14.752 1.779 0.800 0.356 0.842 0.421 CA 1.467 13 residues pruned to eliminate duplicates Z: 7 4.034 1.373 0.623 0.463 0.667 0.500 N 1.151 Z: 13 12.737 1.600 0.613 0.772 1.000 0.750 CB 1.120 7 residues pruned to eliminate duplicates Z: 17 14.487 1.731 0.759 0.611 0.875 0.625 CB 1.224 17 residues pruned to eliminate duplicates Z: 15 11.978 1.664 0.432 0.833 0.929 0.857 CB 1.086 Z: 7 4.015 1.575 0.569 0.250 0.667 0.500 N 1.327 Z: 9 8.368 1.601 0.987 0.428 0.875 0.625 CA 1.145 6 residues pruned to eliminate duplicates Z: 6 4.918 1.605 0.382 0.439 0.800 0.600 O 1.320 Z: 10 10.246 1.673 0.815 0.649 0.889 0.667 CB 1.101 8 residues pruned to eliminate duplicates Z: 12 13.735 1.808 0.910 0.605 0.818 0.545 CB 1.326 13 residues pruned to eliminate duplicates Z: 12 14.239 1.729 0.597 0.679 1.000 0.727 CB 1.319 Z: 23 15.556 1.896 0.638 0.334 0.955 0.636 CB 1.342 25 residues pruned to eliminate duplicates Z: 6 3.502 1.557 0.710 0.438 0.600 0.600 N 1.045 Z: 13 14.860 1.761 0.747 0.919 0.917 0.583 CB 1.072 13 residues pruned to eliminate duplicates Z: 11 11.244 1.755 0.446 0.584 0.900 0.500 O 1.437 11 residues pruned to eliminate duplicates Z: 13 15.468 1.731 0.723 0.900 0.833 0.667 CB 1.283 Z: 9 6.416 1.632 0.646 0.295 0.875 0.500 CB 1.213 11 residues pruned to eliminate duplicates Z: 33 18.513 1.640 0.699 0.531 0.969 0.625 CB 1.175 42 residues pruned to eliminate duplicates Z: 23 12.460 1.641 0.716 0.524 0.864 0.545 CB 1.067 23 residues pruned to eliminate duplicates Z: 15 14.288 1.621 0.674 0.904 1.000 0.786 CB 1.002 13 residues pruned to eliminate duplicates Z: 8 6.857 1.577 0.414 0.563 1.000 0.714 CB 1.094 5 residues pruned to eliminate duplicates Z: 7 2.910 1.480 0.234 0.408 0.833 0.333 CB 0.860 Z: 10 11.031 1.584 0.537 0.781 1.000 0.778 CA 1.179 Z: 9 12.300 1.636 0.498 0.897 1.000 0.875 CB 1.271 Z: 12 8.943 1.708 0.536 0.580 0.909 0.455 CB 1.047 12 residues pruned to eliminate duplicates Z: 10 8.388 1.617 0.547 0.673 0.889 0.667 CB 1.072 8 residues pruned to eliminate duplicates Z: 7 7.016 1.740 0.563 0.860 1.000 0.833 CB 0.774 Z: 10 14.884 1.886 0.866 0.706 1.000 0.667 CB 1.169 8 residues pruned to eliminate duplicates Z: 15 7.237 1.632 0.658 0.302 0.857 0.357 CB 1.040 Z: 10 14.510 1.654 0.719 0.874 1.000 0.778 CB 1.238 11 residues pruned to eliminate duplicates Z: 10 9.963 1.676 0.821 0.708 0.889 0.667 CA 1.013 12 residues pruned to eliminate duplicates Z: 13 9.308 1.652 0.333 0.596 0.917 0.833 CB 1.215 5 residues pruned to eliminate duplicates Z: 13 9.880 1.582 0.627 0.693 0.833 0.750 CB 1.114 Z: 30 16.869 1.758 0.533 0.674 0.897 0.690 CB 1.104 31 residues pruned to eliminate duplicates Z: 18 16.228 1.606 0.594 0.878 1.000 0.647 CB 1.116 15 residues pruned to eliminate duplicates Z: 17 12.772 1.611 0.460 0.915 1.000 0.812 CB 0.959 16 residues pruned to eliminate duplicates Z: 8 8.480 1.817 0.556 0.370 0.857 0.571 N 1.521 Z: 6 6.595 1.793 0.496 0.569 0.800 0.600 CB 1.286 Z: 10 7.655 1.641 0.856 0.859 0.889 0.556 CB 0.694 10 residues pruned to eliminate duplicates Z: 49 21.197 1.680 0.708 0.525 0.875 0.500 CB 1.189 49 residues pruned to eliminate duplicates Z: 12 9.690 1.516 0.417 0.879 1.000 0.636 CB 0.986 12 residues pruned to eliminate duplicates Z: 10 5.384 1.652 0.562 0.267 0.889 0.556 CB 1.020 5 residues pruned to eliminate duplicates Z: 18 9.347 1.590 0.500 0.846 0.824 0.471 CB 0.858 Z: 14 7.373 1.670 0.252 0.655 1.000 0.769 CB 0.847 6 residues pruned to eliminate duplicates Z: 9 7.957 1.623 0.399 0.851 0.875 0.750 CB 1.048 9 residues pruned to eliminate duplicates Z: 9 7.041 1.751 0.605 0.379 0.750 0.625 O 1.344 8 residues pruned to eliminate duplicates Z: 20 16.517 1.555 0.556 0.843 0.947 0.789 CB 1.231 18 residues pruned to eliminate duplicates Z: 18 15.914 1.641 0.905 0.569 1.000 0.647 CB 1.155 18 residues pruned to eliminate duplicates Z: 7 7.725 1.730 0.651 0.412 1.000 0.500 CB 1.211 7 residues pruned to eliminate duplicates Z: 9 10.666 1.613 0.579 0.785 0.875 0.625 CB 1.317 9 residues pruned to eliminate duplicates Z: 13 10.734 1.527 0.832 0.615 0.917 0.833 CB 1.084 Z: 20 20.831 1.708 0.777 0.868 1.000 0.895 CB 1.151 20 residues pruned to eliminate duplicates Z: 16 11.729 1.707 0.225 0.828 0.933 0.600 CB 1.169 16 residues pruned to eliminate duplicates Z: 18 11.063 1.713 0.795 0.350 0.765 0.412 CB 1.342 18 residues pruned to eliminate duplicates Z: 14 6.128 1.507 0.437 0.301 0.923 0.462 N 1.062 9 residues pruned to eliminate duplicates Z: 15 15.359 1.664 0.372 0.916 1.000 0.857 CB 1.269 15 residues pruned to eliminate duplicates Z: 12 6.407 1.561 0.504 0.396 0.818 0.545 CB 1.122 12 residues pruned to eliminate duplicates Z: 13 12.221 1.721 0.774 0.906 0.917 0.417 CB 0.897 13 residues pruned to eliminate duplicates Z: 17 16.441 1.672 0.497 0.878 0.938 0.812 CB 1.271 18 residues pruned to eliminate duplicates Z: 19 16.344 1.750 0.743 0.636 0.833 0.778 CB 1.333 19 residues pruned to eliminate duplicates Z: 14 6.342 1.592 0.550 0.445 0.846 0.538 CA 0.891 4 residues pruned to eliminate duplicates Z: 13 8.255 1.617 0.508 0.388 0.833 0.500 N 1.320 24 residues pruned to eliminate duplicates Z: 8 5.482 1.608 0.480 0.567 1.000 0.571 CB 0.816 8 1.832 1.487 0.501 0.282 0.429 0.429 CB 0.926 ? Z: 16 9.927 1.628 0.239 0.929 1.000 1.000 CB 0.889 16 residues pruned to eliminate duplicates Z: 10 3.542 1.460 0.448 0.288 0.556 0.444 O 1.276 Z: 7 6.877 1.503 0.823 0.840 1.000 1.000 CB 0.765 Z: 19 13.497 1.714 0.453 0.830 1.000 0.944 CB 0.960 19 residues pruned to eliminate duplicates Z: 10 9.803 1.512 0.676 0.799 0.889 0.667 CB 1.117 10 residues pruned to eliminate duplicates Z: 13 15.236 1.666 0.892 0.723 0.833 0.667 CB 1.369 13 residues pruned to eliminate duplicates Z: 16 8.422 1.768 0.352 0.405 0.800 0.533 CB 1.256 16 residues pruned to eliminate duplicates Z: 12 8.179 1.739 0.484 0.504 0.636 0.455 CB 1.495 12 residues pruned to eliminate duplicates Z: 10 12.092 1.591 0.646 0.903 1.000 0.889 CB 1.097 8 residues pruned to eliminate duplicates Z: 14 15.082 1.593 0.538 0.897 1.000 0.692 CB 1.222 14 residues pruned to eliminate duplicates Z: 21 9.905 1.592 0.678 0.432 0.750 0.450 CB 1.185 24 residues pruned to eliminate duplicates Z: 6 3.791 1.570 0.745 0.565 0.800 0.600 CB 0.727 6 residues pruned to eliminate duplicates Z: 16 15.167 1.700 0.448 0.896 1.000 0.667 CB 1.140 16 residues pruned to eliminate duplicates Z: 8 2.407 1.329 0.670 0.433 0.571 0.286 CB 0.769 Z: 12 11.108 1.722 0.524 0.473 1.000 0.636 N 1.312 6 residues pruned to eliminate duplicates Z: 15 11.153 1.671 0.198 0.872 0.857 0.571 CB 1.266 15 residues pruned to eliminate duplicates Z: 17 14.469 1.647 0.516 0.931 1.000 0.938 CB 1.012 17 residues pruned to eliminate duplicates Z: 19 15.038 1.590 0.561 0.896 1.000 0.778 CB 1.023 19 residues pruned to eliminate duplicates Z: 9 4.400 1.554 0.627 0.386 0.625 0.375 CB 1.111 Z: 16 18.191 1.726 0.851 0.904 1.000 0.667 CB 1.047 16 residues pruned to eliminate duplicates Z: 20 15.070 1.703 0.753 0.886 0.947 0.632 CB 0.882 20 residues pruned to eliminate duplicates Z: 11 16.092 1.713 0.722 0.823 0.900 0.900 CB 1.448 11 residues pruned to eliminate duplicates Z: 12 13.216 1.638 0.685 0.869 1.000 0.818 CB 1.055 12 residues pruned to eliminate duplicates Z: 7 3.281 1.491 0.166 0.334 0.833 0.333 CB 1.109 Z: 16 9.607 1.662 0.526 0.413 0.867 0.467 CB 1.236 8 residues pruned to eliminate duplicates Z: 18 16.747 1.700 0.851 0.720 0.941 0.765 CB 1.125 18 residues pruned to eliminate duplicates Z: 12 10.991 1.829 0.871 0.445 0.909 0.636 CB 1.128 12 residues pruned to eliminate duplicates Z: 13 10.766 1.589 0.649 0.751 0.917 0.667 CB 1.034 12 residues pruned to eliminate duplicates Z: 12 12.016 1.419 0.809 0.770 1.000 0.727 CB 1.112 11 residues pruned to eliminate duplicates Z: 19 6.497 1.433 0.605 0.372 0.944 0.556 CB 0.808 14 residues pruned to eliminate duplicates Z: 9 8.567 1.913 0.522 0.271 0.875 0.500 O 1.541 Z: 6 4.434 1.607 -0.029 0.862 1.000 1.000 CB 0.933 Z: 16 10.239 1.697 0.655 0.466 0.933 0.600 CB 1.044 16 residues pruned to eliminate duplicates Z: 6 2.672 1.545 -0.034 0.277 1.000 0.400 O 1.031 Z: 15 3.984 1.357 0.408 0.390 0.714 0.286 CB 0.877 14 residues pruned to eliminate duplicates Z: 6 4.359 1.482 0.628 0.299 0.800 0.600 CA 1.264 6 residues pruned to eliminate duplicates Z: 16 12.798 1.637 0.701 0.892 1.000 0.800 CB 0.852 16 residues pruned to eliminate duplicates Z: 10 10.080 1.488 0.717 0.623 1.000 0.889 N 1.171 10 residues pruned to eliminate duplicates Z: 20 10.646 1.596 0.426 0.533 0.895 0.579 CB 1.161 18 residues pruned to eliminate duplicates 6 1.331 1.350 0.072 0.339 0.600 0.400 N 0.817 ? Z: 12 8.152 1.387 0.751 0.785 0.909 0.455 CB 0.866 12 residues pruned to eliminate duplicates Z: 7 2.404 1.389 0.127 0.356 0.833 0.667 O 0.879 Z: 7 7.062 1.289 0.645 0.802 1.000 0.833 CB 1.044 7 residues pruned to eliminate duplicates Z: 14 13.735 1.703 0.506 0.650 1.000 0.615 CB 1.292 14 residues pruned to eliminate duplicates Z: 11 12.113 1.486 0.640 0.854 1.000 0.900 CB 1.160 11 residues pruned to eliminate duplicates Z: 11 9.387 1.534 0.966 0.885 0.900 0.800 CB 0.790 Z: 16 9.533 1.648 0.451 0.502 0.733 0.400 CA 1.401 16 residues pruned to eliminate duplicates Z: 9 7.292 1.351 0.415 0.854 1.000 0.875 CB 0.996 9 residues pruned to eliminate duplicates Z: 6 4.831 1.713 0.654 0.857 1.000 0.800 CB 0.562 6 residues pruned to eliminate duplicates Z: 16 11.851 1.680 0.671 0.542 0.867 0.667 CB 1.207 16 residues pruned to eliminate duplicates Z: 22 19.327 1.749 0.930 0.625 0.905 0.762 CB 1.227 22 residues pruned to eliminate duplicates Z: 10 8.825 1.583 0.548 0.787 1.000 1.000 CB 0.932 10 residues pruned to eliminate duplicates Z: 8 5.083 1.621 0.916 0.256 0.571 0.429 O 1.433 8 residues pruned to eliminate duplicates Z: 12 12.138 1.799 0.494 0.744 0.909 0.636 CB 1.204 12 residues pruned to eliminate duplicates Z: 11 4.348 1.617 0.269 0.290 0.800 0.600 CB 1.061 3 residues pruned to eliminate duplicates Z: 11 5.505 1.386 0.451 0.525 0.900 0.500 N 0.938 Z: 16 7.784 1.490 0.742 0.469 0.800 0.667 N 0.999 Z: 9 3.104 1.549 0.312 0.233 0.875 0.625 CB 0.842 Z: 14 12.197 1.711 0.297 0.891 1.000 0.846 CB 1.096 14 residues pruned to eliminate duplicates Z: 8 6.507 1.650 0.013 0.738 0.857 0.429 CB 1.386 8 residues pruned to eliminate duplicates Z: 13 4.213 1.620 0.566 0.272 0.833 0.250 CB 0.745 Z: 26 14.646 1.827 0.672 0.277 0.880 0.680 CB 1.402 28 residues pruned to eliminate duplicates Z: 6 5.382 1.433 0.364 0.855 1.000 0.800 O 0.909 Z: 10 7.994 1.694 0.583 0.847 0.778 0.778 CB 0.948 9 residues pruned to eliminate duplicates Z: 7 4.137 1.543 0.370 0.554 0.833 0.667 CA 0.910 Z: 9 8.838 1.673 0.213 0.814 1.000 0.875 CB 1.173 9 residues pruned to eliminate duplicates Z: 17 9.870 1.685 0.848 0.314 0.938 0.500 CB 1.039 9 residues pruned to eliminate duplicates Z: 6 8.018 1.586 0.533 0.794 1.000 0.800 CB 1.139 Z: 12 5.370 1.532 0.479 0.325 0.818 0.455 CB 1.059 12 residues pruned to eliminate duplicates Z: 13 11.784 1.600 1.052 0.909 0.833 0.417 CB 0.882 13 residues pruned to eliminate duplicates Z: 16 10.457 1.584 0.544 0.875 0.933 0.800 CB 0.860 16 residues pruned to eliminate duplicates Z: 7 4.824 1.495 0.219 0.571 0.833 0.667 CB 1.210 Z: 16 10.575 1.622 0.454 0.425 0.933 0.533 CB 1.340 16 residues pruned to eliminate duplicates Z: 6 3.314 1.634 0.668 0.228 1.000 0.400 CB 0.747 Z: 7 3.009 1.359 0.507 0.228 0.667 0.667 N 1.236 6 0.866 1.393 0.518 0.299 0.400 0.400 N 0.573 ? Z: 14 19.778 1.640 1.082 0.937 1.000 0.615 CB 1.118 15 residues pruned to eliminate duplicates Z: 19 11.360 1.726 0.579 0.601 0.833 0.667 CB 1.071 19 residues pruned to eliminate duplicates Z: 12 14.353 1.709 0.726 0.868 0.909 0.545 CB 1.180 12 residues pruned to eliminate duplicates Z: 6 6.476 1.417 0.813 0.815 0.800 0.600 N 1.072 6 residues pruned to eliminate duplicates Z: 17 12.363 1.707 0.584 0.445 0.938 0.438 CB 1.289 29 residues pruned to eliminate duplicates Z: 18 11.265 1.508 0.700 0.531 0.941 0.529 CB 1.098 11 residues pruned to eliminate duplicates Z: 16 4.696 1.308 0.342 0.301 0.800 0.267 CB 1.079 Z: 7 4.864 1.407 0.345 0.423 1.000 0.333 O 1.137 6 residues pruned to eliminate duplicates Z: 10 11.422 1.637 0.806 0.613 0.889 0.667 N 1.302 13 residues pruned to eliminate duplicates Z: 9 6.048 1.364 0.273 0.831 0.875 0.625 CB 1.057 Z: 9 6.853 1.385 0.596 0.785 1.000 0.750 CB 0.854 9 residues pruned to eliminate duplicates Z: 18 5.964 1.522 0.277 0.384 0.824 0.412 CB 1.022 18 residues pruned to eliminate duplicates Z: 6 9.048 1.564 0.452 0.809 1.000 1.000 CA 1.361 6 residues pruned to eliminate duplicates Z: 12 7.876 1.724 0.463 0.500 0.818 0.545 N 1.151 12 residues pruned to eliminate duplicates Z: 6 3.368 1.434 0.235 0.844 0.600 0.600 CA 1.055 Z: 12 7.238 1.668 0.399 0.847 0.909 0.636 CB 0.764 12 residues pruned to eliminate duplicates 6 1.438 1.436 0.158 0.296 0.400 0.400 O 1.214 ? Z: 6 2.283 1.509 0.469 0.297 1.000 0.600 N 0.578 Z: 7 7.086 1.532 0.358 0.852 1.000 1.000 CB 1.028 6 residues pruned to eliminate duplicates Z: 19 7.359 1.459 0.395 0.501 0.889 0.667 CB 0.957 15 residues pruned to eliminate duplicates Z: 20 16.817 1.668 0.549 0.856 0.947 0.789 CA 1.162 20 residues pruned to eliminate duplicates Z: 7 2.635 1.516 0.526 0.230 0.667 0.333 CA 0.956 Z: 10 7.402 1.678 0.418 0.479 0.889 0.444 CB 1.191 7 residues pruned to eliminate duplicates Z: 11 9.334 1.545 0.731 0.539 0.900 0.500 CA 1.180 11 residues pruned to eliminate duplicates Z: 11 5.164 1.647 0.610 0.275 0.700 0.300 CB 1.134 Z: 8 6.876 1.560 0.512 0.616 1.000 0.571 CB 0.987 7 residues pruned to eliminate duplicates Z: 11 8.662 1.576 0.570 0.830 1.000 0.600 CB 0.832 11 residues pruned to eliminate duplicates Z: 6 3.495 1.615 0.209 0.294 1.000 0.600 CB 1.008 Z: 17 4.531 1.508 0.267 0.240 0.688 0.375 CB 1.166 11 residues pruned to eliminate duplicates Z: 11 9.386 1.628 0.541 0.873 1.000 0.700 CB 0.862 11 residues pruned to eliminate duplicates Z: 8 2.430 1.389 0.310 0.205 0.857 0.286 CB 0.836 Z: 9 10.032 1.568 0.713 0.760 1.000 0.750 CB 1.048 6 residues pruned to eliminate duplicates Z: 7 2.970 1.401 0.577 0.362 0.667 0.667 CB 0.955 Z: 10 8.525 1.592 0.244 0.596 1.000 0.667 CB 1.309 10 residues pruned to eliminate duplicates Z: 8 2.845 1.691 0.037 0.451 0.857 0.429 CB 0.753 Z: 16 13.842 1.694 0.531 0.914 1.000 0.800 CB 0.975 16 residues pruned to eliminate duplicates Z: 6 3.078 1.333 0.452 0.326 0.800 0.600 O 1.077 6 residues pruned to eliminate duplicates Z: 13 10.961 1.747 0.669 0.551 0.917 0.750 CB 1.127 13 residues pruned to eliminate duplicates Z: 12 9.709 1.724 0.487 0.656 0.909 0.455 CB 1.086 12 residues pruned to eliminate duplicates Z: 32 16.939 1.658 0.807 0.619 0.871 0.548 CB 1.042 32 residues pruned to eliminate duplicates Z: 11 12.482 1.567 0.749 0.784 0.900 0.800 CB 1.246 11 residues pruned to eliminate duplicates Z: 6 5.385 1.630 0.469 0.659 0.800 0.800 CB 1.085 Z: 12 16.602 1.660 0.909 0.941 1.000 0.545 CB 1.096 12 residues pruned to eliminate duplicates Z: 7 5.328 1.476 0.245 0.677 0.833 0.667 CB 1.207 Z: 16 9.679 1.733 0.104 0.782 0.800 0.467 CB 1.273 16 residues pruned to eliminate duplicates Z: 6 2.291 1.304 0.646 0.728 1.000 0.400 CB 0.389 Z: 10 4.736 1.504 0.224 0.457 1.000 0.556 CB 0.896 10 residues pruned to eliminate duplicates Z: 8 4.278 1.348 0.508 0.335 1.000 0.429 CA 0.952 8 residues pruned to eliminate duplicates Z: 6 2.847 1.374 0.157 0.489 1.000 0.800 CB 0.810 Z: 8 9.183 1.707 0.390 0.611 1.000 0.429 CB 1.316 8 residues pruned to eliminate duplicates Z: 14 10.842 1.732 0.596 0.540 0.923 0.538 CB 1.133 18 residues pruned to eliminate duplicates Z: 10 8.770 1.377 0.851 0.720 0.889 0.778 CA 1.058 10 residues pruned to eliminate duplicates Z: 22 14.883 1.696 0.804 0.516 0.810 0.619 CB 1.291 22 residues pruned to eliminate duplicates Z: 8 4.163 1.475 0.249 0.517 0.714 0.429 N 1.176 Z: 6 3.928 1.616 0.409 0.598 0.800 0.600 CB 0.878 Z: 11 9.739 1.749 0.381 0.906 0.900 0.800 CB 1.008 11 residues pruned to eliminate duplicates Z: 6 4.614 1.255 0.470 0.653 1.000 0.400 O 0.970 Z: 13 11.747 1.770 0.370 0.556 1.000 0.667 CB 1.324 13 residues pruned to eliminate duplicates Z: 17 12.778 1.687 0.308 0.594 1.000 0.812 CB 1.323 17 residues pruned to eliminate duplicates Z: 23 9.681 1.573 0.385 0.434 0.955 0.545 CB 1.062 23 residues pruned to eliminate duplicates Z: 6 4.207 1.470 0.142 0.809 1.000 0.600 CB 0.856 Z: 13 12.180 1.673 0.580 0.621 0.917 0.750 N 1.295 13 residues pruned to eliminate duplicates Z: 10 10.043 1.433 0.415 0.908 1.000 0.778 CA 1.173 7 residues pruned to eliminate duplicates Z: 11 12.729 1.457 0.861 0.872 1.000 0.900 CA 1.082 12 residues pruned to eliminate duplicates Z: 12 5.003 1.550 0.469 0.325 0.727 0.455 O 1.104 12 residues pruned to eliminate duplicates 7 1.084 1.350 -0.022 0.083 0.667 0.333 N 0.862 ? Z: 19 10.319 1.739 0.673 0.514 0.944 0.556 CB 0.873 19 residues pruned to eliminate duplicates Z: 16 15.486 1.668 0.444 0.921 1.000 0.800 CB 1.168 16 residues pruned to eliminate duplicates Z: 8 9.198 1.643 0.526 0.723 1.000 0.714 CB 1.133 9 residues pruned to eliminate duplicates Z: 6 6.134 1.756 0.296 0.381 1.000 0.600 CB 1.368 Z: 7 5.567 1.599 0.389 0.456 0.833 0.667 CB 1.285 Z: 11 3.790 1.375 0.730 0.392 0.600 0.600 CB 0.941 Z: 6 3.961 1.473 0.572 0.418 0.800 0.600 CB 1.042 Z: 7 4.339 1.660 0.301 0.370 0.833 0.500 CB 1.131 6 residues pruned to eliminate duplicates Z: 9 8.944 1.718 0.599 0.880 0.875 0.875 CB 0.953 9 residues pruned to eliminate duplicates Z: 8 7.059 1.751 0.298 0.356 1.000 0.714 CB 1.372 6 residues pruned to eliminate duplicates Z: 8 2.771 1.469 0.261 0.557 0.857 0.571 CB 0.624 Z: 7 3.638 1.607 -0.161 0.385 1.000 0.500 CB 1.244 Z: 16 13.990 1.638 0.795 0.944 1.000 0.800 CB 0.851 16 residues pruned to eliminate duplicates Z: 7 7.312 1.751 0.061 0.869 1.000 1.000 CB 1.174 7 residues pruned to eliminate duplicates Z: 20 19.495 1.697 0.774 0.883 0.947 0.737 CB 1.133 20 residues pruned to eliminate duplicates Z: 9 7.653 1.449 0.366 0.832 1.000 0.875 CB 1.026 9 residues pruned to eliminate duplicates Z: 11 9.607 1.594 0.664 0.819 0.900 0.600 CB 0.965 11 residues pruned to eliminate duplicates Z: 13 6.952 1.456 0.860 0.831 0.833 0.667 CB 0.668 11 residues pruned to eliminate duplicates Z: 14 7.499 1.658 0.367 0.323 0.923 0.769 CB 1.208 Z: 8 7.603 1.731 0.398 0.606 1.000 0.571 CB 1.074 8 residues pruned to eliminate duplicates Z: 11 3.978 1.586 0.791 0.524 0.800 0.400 CB 0.540 11 residues pruned to eliminate duplicates Z: 17 15.408 1.653 0.558 0.839 0.875 0.500 CA 1.277 18 residues pruned to eliminate duplicates Z: 16 14.186 1.678 0.556 0.908 1.000 0.867 CB 0.996 16 residues pruned to eliminate duplicates Z: 7 5.959 1.518 0.357 0.560 1.000 1.000 N 1.114 Z: 7 4.658 1.384 1.065 0.495 1.000 0.667 CA 0.669 Z: 6 3.580 1.699 0.190 0.275 0.800 0.400 CA 1.277 14 residues pruned to eliminate duplicates Z: 11 8.811 1.575 0.529 0.535 0.900 0.500 N 1.242 Z: 15 11.829 1.703 0.717 0.926 1.000 0.857 CB 0.758 15 residues pruned to eliminate duplicates Z: 8 4.366 1.443 0.745 0.314 0.714 0.429 O 1.128 Z: 18 4.776 1.432 0.530 0.273 0.765 0.294 CB 0.895 Z: 13 8.252 1.349 0.725 0.747 0.917 0.583 CB 0.896 13 residues pruned to eliminate duplicates Z: 12 9.155 1.505 0.890 0.537 0.909 0.727 CB 1.029 31 residues pruned to eliminate duplicates Z: 20 11.087 1.720 0.708 0.455 0.789 0.579 CB 1.148 15 residues pruned to eliminate duplicates Z: 13 14.334 1.690 0.648 0.887 1.000 1.000 CB 1.071 13 residues pruned to eliminate duplicates Z: 9 3.242 1.451 0.373 0.355 0.750 0.500 CB 0.897 7 residues pruned to eliminate duplicates Z: 7 3.434 1.612 0.365 0.365 0.667 0.167 CA 1.104 6 residues pruned to eliminate duplicates Z: 15 12.127 1.472 0.581 0.766 1.000 0.643 CB 1.099 12 residues pruned to eliminate duplicates Z: 7 5.830 1.641 0.380 0.489 1.000 0.500 CB 1.063 5 residues pruned to eliminate duplicates Z: 24 18.669 1.748 0.681 0.708 0.957 0.652 CB 1.146 24 residues pruned to eliminate duplicates Z: 10 5.307 1.400 0.378 0.620 0.778 0.556 CB 1.053 11 residues pruned to eliminate duplicates Z: 8 4.875 1.647 0.242 0.442 0.857 0.571 CA 1.115 8 residues pruned to eliminate duplicates Z: 10 4.261 1.649 0.278 0.142 0.778 0.333 N 1.349 Z: 20 8.570 1.604 0.266 0.395 0.842 0.474 CB 1.284 14 residues pruned to eliminate duplicates Z: 17 8.748 1.541 0.350 0.392 1.000 0.562 CB 1.179 Z: 9 3.875 1.349 0.518 0.292 0.875 0.375 N 0.966 Z: 11 11.073 1.606 0.774 0.809 0.900 0.600 CB 1.043 11 residues pruned to eliminate duplicates Z: 7 2.026 1.432 0.382 0.173 0.667 0.667 CB 0.931 Z: 6 5.682 1.584 0.686 0.431 1.000 0.800 CB 1.022 Z: 6 3.690 1.421 0.393 0.396 0.800 0.600 CB 1.162 Z: 9 6.109 1.615 0.625 0.829 0.875 0.375 CB 0.708 24 residues pruned to eliminate duplicates Z: 17 15.417 1.591 0.655 0.876 1.000 0.562 CB 1.063 18 residues pruned to eliminate duplicates Z: 13 9.040 1.682 0.914 0.639 0.917 0.583 CB 0.776 13 residues pruned to eliminate duplicates Z: 9 10.823 1.432 0.662 0.904 1.000 0.625 CB 1.145 9 residues pruned to eliminate duplicates Z: 7 5.404 1.390 0.463 0.669 0.833 0.833 CA 1.113 Z: 8 6.638 1.489 0.226 0.874 1.000 0.857 CB 1.000 8 residues pruned to eliminate duplicates Z: 9 4.418 1.538 0.034 0.473 1.000 0.375 CA 1.009 5 residues pruned to eliminate duplicates Z: 9 7.967 1.456 0.535 0.614 1.000 0.500 CA 1.131 9 residues pruned to eliminate duplicates Z: 6 3.333 1.396 0.355 0.492 1.000 0.800 N 0.795 6 residues pruned to eliminate duplicates Z: 20 19.134 1.701 0.918 0.817 0.947 0.526 CB 1.079 20 residues pruned to eliminate duplicates Z: 8 7.026 1.581 0.728 0.532 0.857 0.429 CB 1.099 Z: 8 2.821 1.321 0.605 0.340 0.714 0.286 CB 0.839 Z: 6 3.033 1.473 0.114 0.363 0.800 0.600 CB 1.198 Z: 18 9.122 1.596 0.662 0.380 0.824 0.412 CB 1.150 22 residues pruned to eliminate duplicates Z: 8 6.879 1.554 0.407 0.572 1.000 0.571 CB 1.109 7 residues pruned to eliminate duplicates Z: 8 10.502 1.504 0.977 0.860 1.000 0.714 CB 0.982 7 residues pruned to eliminate duplicates Z: 9 7.579 1.639 0.553 0.772 1.000 0.875 CB 0.828 9 residues pruned to eliminate duplicates Z: 6 2.757 1.468 0.388 0.289 0.800 0.400 CA 0.958 6 residues pruned to eliminate duplicates Z: 20 18.808 1.713 0.809 0.887 1.000 0.842 CB 1.003 20 residues pruned to eliminate duplicates Z: 7 5.356 1.610 0.756 0.477 0.833 0.667 CA 0.949 7 residues pruned to eliminate duplicates Z: 9 9.835 1.688 0.567 0.527 0.875 0.625 O 1.462 6 residues pruned to eliminate duplicates Z: 8 9.586 1.495 0.625 0.880 1.000 0.714 CB 1.081 8 residues pruned to eliminate duplicates Z: 31 19.476 1.604 0.959 0.669 0.933 0.633 CB 1.037 41 residues pruned to eliminate duplicates Z: 11 8.770 1.636 0.589 0.673 0.900 0.600 N 1.011 11 residues pruned to eliminate duplicates Z: 10 7.774 1.622 0.545 0.638 0.889 0.667 CB 1.022 10 residues pruned to eliminate duplicates Z: 17 9.055 1.645 0.567 0.433 0.812 0.500 CB 1.158 8 residues pruned to eliminate duplicates Z: 7 3.156 1.370 0.215 0.422 1.000 0.333 CB 0.839 Z: 8 4.405 1.442 0.458 0.572 0.857 0.714 CB 0.862 11 residues pruned to eliminate duplicates Z: 11 5.314 1.574 0.213 0.582 1.000 0.800 CB 0.814 Z: 23 8.952 1.588 0.393 0.372 0.818 0.318 CB 1.210 23 residues pruned to eliminate duplicates Z: 7 5.736 1.381 0.253 0.675 1.000 0.500 CB 1.152 5 residues pruned to eliminate duplicates Z: 7 9.373 1.520 0.626 0.764 1.000 0.833 CB 1.225 7 residues pruned to eliminate duplicates 8 1.737 1.326 -0.106 0.243 0.857 0.429 O 0.870 ? Z: 10 4.651 1.458 0.262 0.384 0.889 0.778 CB 1.073 10 residues pruned to eliminate duplicates Z: 10 12.282 1.625 0.561 0.866 1.000 0.778 CB 1.182 10 residues pruned to eliminate duplicates Z: 10 8.779 1.423 0.491 0.880 0.889 0.667 CB 1.124 10 residues pruned to eliminate duplicates Z: 7 4.740 1.541 0.079 0.568 1.000 0.667 CB 1.090 Z: 7 2.194 1.433 0.334 0.272 0.833 0.500 CB 0.728 Z: 6 3.732 1.571 0.341 0.455 1.000 0.400 CB 0.829 6 residues pruned to eliminate duplicates Z: 15 12.209 1.609 0.238 0.852 0.929 0.857 CB 1.305 15 residues pruned to eliminate duplicates Z: 6 2.815 1.574 -0.069 0.747 1.000 1.000 CB 0.689 Z: 7 3.172 1.471 0.195 0.366 0.833 0.667 CB 1.021 7 residues pruned to eliminate duplicates Z: 15 10.567 1.682 0.418 0.779 0.857 0.571 CB 1.081 15 residues pruned to eliminate duplicates 6 1.245 1.331 0.010 0.431 0.400 0.400 CA 1.113 ? Z: 24 8.231 1.687 0.607 0.328 0.783 0.435 CB 0.977 17 residues pruned to eliminate duplicates Z: 9 4.894 1.311 0.649 0.721 0.875 0.375 CB 0.749 9 residues pruned to eliminate duplicates Z: 9 4.458 1.487 0.249 0.384 0.750 0.500 CB 1.280 9 residues pruned to eliminate duplicates Z: 16 9.394 1.606 0.449 0.473 0.867 0.600 CB 1.236 12 residues pruned to eliminate duplicates Z: 7 4.274 1.335 0.628 0.516 0.833 0.500 CB 0.948 Z: 22 14.367 1.721 0.694 0.641 1.000 0.810 CB 0.943 21 residues pruned to eliminate duplicates Z: 13 10.386 1.563 0.435 0.660 1.000 0.667 CB 1.151 Z: 12 9.125 1.442 0.870 0.571 0.909 0.545 CB 1.049 619 residues left after pruning, divided into chains as follows: A: 9 B: 20 C: 37 D: 13 E: 11 F: 27 G: 11 H: 14 I: 28 J: 6 K: 23 L: 15 M: 7 N: 13 O: 25 P: 6 Q: 6 R: 10 S: 9 T: 17 U: 10 V: 36 W: 17 X: 36 Y: 6 Z: 9 Z: 6 Z: 34 Z: 8 Z: 47 Z: 13 Z: 10 Z: 10 Z: 31 Z: 16 Z: 23 CC for partial structure against native data = 32.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.490, Connect. = 0.709 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.736 for dens.mod. cycle 2 = 0.300, Contrast = 0.674, Connect. = 0.766 for dens.mod. cycle 3 = 0.300, Contrast = 0.683, Connect. = 0.768 for dens.mod. cycle 4 = 0.300, Contrast = 0.691, Connect. = 0.770 for dens.mod. cycle 5 = 0.300, Contrast = 0.693, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.696, Connect. = 0.773 for dens.mod. cycle 7 = 0.300, Contrast = 0.697, Connect. = 0.774 for dens.mod. cycle 8 = 0.300, Contrast = 0.698, Connect. = 0.775 for dens.mod. cycle 9 = 0.300, Contrast = 0.697, Connect. = 0.775 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3309 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 770 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 21.960 1.972 0.759 0.932 1.000 0.923 CB 1.227 B: 20 29.042 1.947 0.767 0.834 1.000 0.842 CA 1.451 C: 16 15.736 1.899 0.597 0.594 0.867 0.733 CB 1.412 D: 7 6.841 1.574 0.246 0.841 1.000 0.667 N 1.063 E: 29 32.193 1.947 0.760 0.783 0.964 0.821 CB 1.434 17 residues pruned to eliminate duplicates F: 14 20.187 1.962 0.590 0.909 1.000 0.923 CB 1.274 14 residues pruned to eliminate duplicates G: 21 14.140 2.034 0.491 0.373 0.850 0.600 CB 1.406 H: 21 21.405 1.863 0.615 0.798 0.950 0.550 CB 1.290 21 residues pruned to eliminate duplicates I: 22 15.991 1.777 0.722 0.648 0.905 0.667 CB 1.099 J: 17 12.077 1.847 0.528 0.531 0.812 0.562 CB 1.277 17 residues pruned to eliminate duplicates K: 26 17.923 1.865 0.613 0.587 0.920 0.680 CB 1.191 L: 16 15.835 1.865 0.402 0.891 1.000 0.867 CB 1.124 M: 15 14.290 1.823 0.860 0.559 0.929 0.643 CB 1.145 N: 16 18.544 1.864 0.528 0.886 0.933 0.733 CB 1.299 16 residues pruned to eliminate duplicates O: 15 27.849 1.927 0.891 0.920 1.000 0.786 CB 1.439 16 residues pruned to eliminate duplicates P: 24 17.063 1.877 0.492 0.621 0.957 0.696 CB 1.185 Q: 15 23.206 1.973 0.687 0.899 0.929 0.929 CB 1.434 R: 20 10.814 1.906 0.493 0.422 0.842 0.632 CB 1.123 S: 19 27.379 1.957 0.673 0.840 1.000 0.722 CA 1.471 19 residues pruned to eliminate duplicates T: 11 8.467 1.867 0.613 0.403 0.800 0.300 CB 1.231 9 residues pruned to eliminate duplicates U: 10 13.079 1.919 0.503 0.731 1.000 0.444 CB 1.228 V: 15 13.459 1.786 0.715 0.682 0.857 0.643 CB 1.160 15 residues pruned to eliminate duplicates W: 10 7.284 1.748 0.317 0.427 0.889 0.556 CA 1.281 X: 11 7.487 1.855 0.235 0.426 0.900 0.500 CB 1.240 Y: 34 25.020 2.110 0.710 0.394 0.909 0.606 CB 1.484 41 residues pruned to eliminate duplicates Z: 13 20.263 2.018 0.488 0.921 1.000 0.833 CB 1.370 13 residues pruned to eliminate duplicates Z: 15 10.159 1.758 0.699 0.413 0.786 0.500 CB 1.267 Z: 38 20.638 1.929 0.608 0.329 0.946 0.595 CB 1.394 Z: 13 7.354 1.689 0.596 0.477 0.833 0.583 CB 0.967 Z: 35 20.361 2.048 0.539 0.385 0.853 0.618 CB 1.469 35 residues pruned to eliminate duplicates Z: 6 9.170 2.134 0.075 0.661 1.000 0.800 CA 1.540 6 residues pruned to eliminate duplicates Z: 22 17.782 1.889 0.560 0.710 1.000 0.667 CB 1.088 Z: 6 4.378 1.649 0.350 0.675 0.800 0.800 CB 0.936 Z: 17 18.004 1.926 0.417 0.840 0.875 0.688 CB 1.407 Z: 6 5.300 1.488 0.392 0.795 1.000 0.600 CA 0.884 6 residues pruned to eliminate duplicates Z: 13 10.280 1.734 0.308 0.796 1.000 0.750 CB 1.010 Z: 15 23.507 1.995 0.608 0.900 1.000 0.643 CB 1.398 15 residues pruned to eliminate duplicates Z: 6 6.640 1.881 0.582 0.423 1.000 0.400 CB 1.081 Z: 19 17.639 1.851 0.396 0.827 0.944 0.778 CB 1.283 Z: 7 3.616 1.708 -0.219 0.438 0.833 0.500 CA 1.415 Z: 16 21.012 1.897 0.429 0.898 1.000 0.867 CB 1.432 16 residues pruned to eliminate duplicates Z: 7 2.141 1.670 0.125 0.492 0.500 0.333 CB 0.938 Z: 37 23.343 1.926 0.573 0.550 0.889 0.722 CB 1.376 27 residues pruned to eliminate duplicates Z: 39 24.591 1.899 0.735 0.582 0.895 0.553 CB 1.250 36 residues pruned to eliminate duplicates Z: 8 9.436 1.541 0.443 0.872 1.000 0.857 CA 1.169 Z: 11 4.266 1.792 0.071 0.411 0.800 0.400 CB 0.965 11 residues pruned to eliminate duplicates Z: 8 10.782 1.726 0.586 0.873 1.000 0.714 CB 1.084 7 residues pruned to eliminate duplicates Z: 16 12.653 1.858 0.019 0.924 1.000 1.000 CB 1.212 16 residues pruned to eliminate duplicates Z: 12 16.712 1.976 0.500 0.608 1.000 0.818 CB 1.535 12 residues pruned to eliminate duplicates Z: 15 19.932 1.989 0.479 0.927 1.000 1.000 CA 1.269 15 residues pruned to eliminate duplicates Z: 23 12.538 1.855 0.576 0.316 0.818 0.500 CB 1.369 23 residues pruned to eliminate duplicates Z: 11 17.015 1.954 0.523 0.824 0.900 0.600 CA 1.518 11 residues pruned to eliminate duplicates Z: 18 13.726 1.822 0.708 0.538 0.824 0.529 N 1.251 18 residues pruned to eliminate duplicates Z: 25 17.202 1.812 0.674 0.568 0.917 0.500 CB 1.182 25 residues pruned to eliminate duplicates Z: 12 10.004 1.740 0.298 0.530 1.000 0.636 N 1.296 Z: 16 20.871 1.863 0.788 0.799 0.933 0.733 CB 1.335 16 residues pruned to eliminate duplicates Z: 17 19.945 1.881 0.455 0.902 1.000 0.812 CB 1.299 17 residues pruned to eliminate duplicates Z: 7 11.840 1.832 0.422 0.863 1.000 0.667 CB 1.361 8 residues pruned to eliminate duplicates Z: 12 12.908 2.032 0.324 0.496 1.000 0.455 CB 1.452 12 residues pruned to eliminate duplicates Z: 20 27.861 1.941 0.708 0.841 1.000 0.526 CA 1.438 20 residues pruned to eliminate duplicates Z: 15 21.145 1.829 0.601 0.918 0.929 0.857 CA 1.465 Z: 10 13.115 1.945 0.567 0.793 0.889 0.667 CB 1.247 10 residues pruned to eliminate duplicates Z: 9 9.815 1.773 0.528 0.572 0.875 0.625 CB 1.365 Z: 19 7.453 1.643 0.448 0.487 0.833 0.444 CB 0.898 Z: 9 6.712 2.029 0.162 0.313 0.875 0.500 CA 1.415 9 residues pruned to eliminate duplicates Z: 10 15.149 1.783 0.498 0.811 1.000 0.889 CA 1.442 Z: 13 19.334 1.889 0.839 0.751 0.917 0.667 CA 1.401 17 residues pruned to eliminate duplicates Z: 7 5.328 1.951 0.344 0.343 0.833 0.500 CB 1.181 Z: 15 22.759 1.902 0.677 0.927 1.000 0.929 CB 1.336 15 residues pruned to eliminate duplicates Z: 10 13.701 1.783 0.572 0.674 1.000 0.778 CB 1.388 12 residues pruned to eliminate duplicates Z: 19 22.947 1.961 0.418 0.869 1.000 0.833 CA 1.421 19 residues pruned to eliminate duplicates Z: 6 4.218 1.541 0.072 0.653 1.000 0.600 CB 0.991 Z: 14 19.079 1.950 0.737 0.857 1.000 0.769 CB 1.151 13 residues pruned to eliminate duplicates Z: 42 18.718 1.952 0.565 0.334 0.927 0.463 CB 1.238 38 residues pruned to eliminate duplicates Z: 10 13.333 1.984 0.498 0.801 0.778 0.556 CB 1.478 11 residues pruned to eliminate duplicates Z: 8 2.642 1.501 0.106 0.243 0.857 0.571 CB 0.944 Z: 24 12.938 1.749 0.453 0.539 0.783 0.565 CB 1.306 24 residues pruned to eliminate duplicates Z: 10 13.102 1.963 0.556 0.748 0.778 0.556 CB 1.473 10 residues pruned to eliminate duplicates Z: 14 18.665 1.928 0.593 0.926 1.000 0.923 CB 1.182 15 residues pruned to eliminate duplicates Z: 17 20.840 2.054 0.982 0.604 0.812 0.688 CB 1.426 15 residues pruned to eliminate duplicates Z: 18 14.772 1.712 0.767 0.590 0.941 0.588 CB 1.153 19 residues pruned to eliminate duplicates Z: 7 4.815 1.623 0.179 0.513 1.000 0.333 CB 1.014 5 residues pruned to eliminate duplicates Z: 10 11.196 1.905 0.491 0.637 0.889 0.778 CA 1.300 10 residues pruned to eliminate duplicates Z: 10 9.574 1.710 0.269 0.844 1.000 0.778 CA 1.094 10 residues pruned to eliminate duplicates Z: 15 22.671 1.849 0.695 0.889 1.000 0.857 CA 1.392 15 residues pruned to eliminate duplicates Z: 33 27.072 1.949 0.636 0.631 0.938 0.625 CB 1.415 25 residues pruned to eliminate duplicates Z: 42 15.242 1.806 0.498 0.311 0.902 0.537 CB 1.203 35 residues pruned to eliminate duplicates Z: 10 6.911 1.632 0.416 0.558 0.889 0.556 CB 1.060 18 residues pruned to eliminate duplicates Z: 12 12.680 1.761 0.614 0.779 0.909 0.545 CB 1.157 12 residues pruned to eliminate duplicates Z: 23 11.937 1.846 0.346 0.522 0.909 0.636 CB 1.103 23 residues pruned to eliminate duplicates Z: 38 31.567 1.933 0.734 0.724 0.919 0.757 CB 1.377 28 residues pruned to eliminate duplicates Z: 12 15.113 1.862 0.469 0.844 1.000 0.818 CB 1.240 12 residues pruned to eliminate duplicates Z: 20 17.327 1.810 0.568 0.565 0.895 0.579 CB 1.470 11 residues pruned to eliminate duplicates Z: 12 10.508 1.667 0.354 0.704 0.909 0.636 CB 1.282 12 residues pruned to eliminate duplicates Z: 21 30.714 1.847 0.920 0.853 1.000 0.550 CB 1.432 21 residues pruned to eliminate duplicates Z: 8 7.848 1.841 0.217 0.738 1.000 0.857 CB 1.069 8 residues pruned to eliminate duplicates Z: 22 20.085 2.000 0.724 0.561 0.857 0.571 CA 1.397 22 residues pruned to eliminate duplicates Z: 16 16.364 1.800 0.384 0.868 1.000 0.667 CB 1.239 16 residues pruned to eliminate duplicates Z: 11 13.902 1.844 0.771 0.807 0.700 0.400 CB 1.471 11 residues pruned to eliminate duplicates Z: 10 10.663 1.790 0.745 0.719 0.889 0.778 CB 1.050 11 residues pruned to eliminate duplicates Z: 12 14.520 1.850 0.515 0.881 0.818 0.545 CB 1.382 12 residues pruned to eliminate duplicates Z: 11 12.515 1.867 0.573 0.894 1.000 0.700 CB 0.966 9 residues pruned to eliminate duplicates Z: 16 18.988 1.850 0.754 0.863 0.933 0.800 CB 1.187 16 residues pruned to eliminate duplicates Z: 15 8.555 1.814 0.410 0.484 0.786 0.500 CB 1.157 6 residues pruned to eliminate duplicates Z: 15 21.366 1.883 0.636 0.929 1.000 0.786 CB 1.297 15 residues pruned to eliminate duplicates Z: 20 30.795 1.938 0.875 0.853 1.000 0.737 CB 1.438 20 residues pruned to eliminate duplicates Z: 6 6.478 1.715 0.379 0.797 1.000 0.800 CA 0.945 6 residues pruned to eliminate duplicates Z: 9 11.304 1.669 0.787 0.850 1.000 0.375 CB 0.993 Z: 12 12.957 1.786 0.286 0.871 1.000 0.818 CB 1.241 12 residues pruned to eliminate duplicates Z: 20 26.437 1.941 0.669 0.866 1.000 0.842 CB 1.371 20 residues pruned to eliminate duplicates Z: 28 16.188 2.000 0.464 0.380 0.852 0.741 CB 1.419 28 residues pruned to eliminate duplicates Z: 8 7.728 1.809 0.515 0.808 0.857 0.714 CB 0.950 Z: 10 16.201 1.772 0.965 0.689 0.889 0.667 CA 1.467 Z: 11 12.261 1.593 0.548 0.878 1.000 0.700 CA 1.141 Z: 10 13.562 1.677 0.406 0.836 1.000 0.889 CA 1.434 10 residues pruned to eliminate duplicates Z: 6 4.372 1.599 0.231 0.647 0.800 0.600 C 1.082 Z: 18 9.287 1.828 0.451 0.602 0.647 0.529 CB 1.190 18 residues pruned to eliminate duplicates Z: 14 13.152 1.844 0.585 0.449 0.923 0.538 CA 1.425 14 residues pruned to eliminate duplicates Z: 11 11.977 1.885 0.675 0.793 0.800 0.600 CB 1.160 11 residues pruned to eliminate duplicates Z: 6 7.397 1.575 0.516 0.773 1.000 0.600 CA 1.088 6 residues pruned to eliminate duplicates Z: 15 17.648 1.754 0.622 0.854 0.929 0.786 CA 1.319 15 residues pruned to eliminate duplicates Z: 6 2.509 1.708 0.414 0.295 0.600 0.600 CA 0.973 6 residues pruned to eliminate duplicates Z: 31 22.972 1.980 0.536 0.702 0.933 0.700 CB 1.230 32 residues pruned to eliminate duplicates Z: 9 3.734 1.541 0.464 0.304 0.750 0.750 CB 0.970 Z: 13 8.977 1.971 0.319 0.392 0.833 0.500 CA 1.341 19 residues pruned to eliminate duplicates Z: 13 14.499 1.882 0.707 0.569 0.833 0.583 N 1.463 13 residues pruned to eliminate duplicates Z: 11 11.676 1.985 0.434 0.557 0.900 0.800 CB 1.363 11 residues pruned to eliminate duplicates Z: 15 26.880 1.908 0.799 0.943 1.000 1.000 CB 1.451 15 residues pruned to eliminate duplicates Z: 15 18.042 1.993 0.994 0.604 0.786 0.643 CB 1.398 15 residues pruned to eliminate duplicates Z: 46 32.048 1.855 0.816 0.612 0.933 0.644 CB 1.366 60 residues pruned to eliminate duplicates Z: 18 16.686 1.858 0.330 0.857 0.941 0.824 CB 1.282 18 residues pruned to eliminate duplicates Z: 19 27.315 1.963 0.632 0.879 1.000 0.944 CA 1.457 19 residues pruned to eliminate duplicates Z: 17 13.615 1.856 0.342 0.816 0.812 0.688 CB 1.277 17 residues pruned to eliminate duplicates Z: 39 19.418 1.797 0.500 0.457 0.895 0.605 CB 1.365 39 residues pruned to eliminate duplicates Z: 11 12.350 1.567 0.611 0.874 1.000 0.900 CA 1.126 11 residues pruned to eliminate duplicates Z: 13 21.396 2.030 0.927 0.911 0.917 0.750 CB 1.221 13 residues pruned to eliminate duplicates Z: 22 20.852 1.997 0.720 0.711 0.905 0.619 CB 1.209 22 residues pruned to eliminate duplicates Z: 13 17.508 2.008 0.561 0.923 1.000 0.917 CB 1.133 13 residues pruned to eliminate duplicates Z: 10 3.281 1.696 0.214 0.359 0.778 0.333 CB 0.794 10 residues pruned to eliminate duplicates Z: 16 20.584 1.852 0.475 0.935 1.000 0.933 CB 1.356 16 residues pruned to eliminate duplicates Z: 22 16.987 2.091 0.553 0.336 0.952 0.524 CB 1.434 22 residues pruned to eliminate duplicates Z: 26 17.693 2.168 0.521 0.336 0.920 0.720 CB 1.394 26 residues pruned to eliminate duplicates Z: 6 2.967 1.873 0.194 0.593 0.400 0.400 O 1.356 Z: 15 23.390 1.998 0.649 0.848 0.929 0.643 CB 1.516 15 residues pruned to eliminate duplicates Z: 14 12.445 1.804 0.487 0.771 0.769 0.615 CB 1.316 13 residues pruned to eliminate duplicates Z: 18 9.421 1.668 0.601 0.398 0.824 0.471 CB 1.156 Z: 14 19.554 1.929 0.289 0.935 1.000 0.923 CB 1.520 14 residues pruned to eliminate duplicates Z: 16 19.781 1.878 0.760 0.890 0.933 0.533 CB 1.191 16 residues pruned to eliminate duplicates Z: 14 24.999 1.984 0.837 0.935 1.000 0.769 CB 1.326 14 residues pruned to eliminate duplicates Z: 15 8.321 1.905 0.051 0.784 0.786 0.429 CB 1.101 15 residues pruned to eliminate duplicates Z: 15 26.877 1.924 0.974 0.924 1.000 0.571 CB 1.328 15 residues pruned to eliminate duplicates Z: 21 28.597 1.905 0.680 0.891 1.000 0.800 CB 1.436 21 residues pruned to eliminate duplicates Z: 9 5.868 1.862 0.011 0.773 1.000 1.000 CB 0.866 Z: 11 7.545 1.726 0.526 0.404 0.800 0.400 CB 1.252 9 residues pruned to eliminate duplicates Z: 8 11.797 1.839 0.248 0.843 1.000 0.857 CB 1.447 8 residues pruned to eliminate duplicates Z: 15 21.044 1.813 0.604 0.883 1.000 0.857 N 1.399 15 residues pruned to eliminate duplicates Z: 13 12.492 1.829 0.472 0.560 0.917 0.750 N 1.378 13 residues pruned to eliminate duplicates Z: 36 35.992 1.947 0.757 0.750 1.000 0.771 CB 1.422 36 residues pruned to eliminate duplicates Z: 19 19.105 1.830 0.741 0.846 0.944 0.500 CB 1.112 19 residues pruned to eliminate duplicates Z: 15 19.058 1.834 0.373 0.926 1.000 1.000 CB 1.418 15 residues pruned to eliminate duplicates Z: 8 9.820 1.793 0.356 0.836 0.857 0.571 CB 1.333 8 residues pruned to eliminate duplicates Z: 11 15.903 1.768 0.736 0.837 1.000 0.900 CB 1.226 11 residues pruned to eliminate duplicates Z: 15 24.908 1.976 0.674 0.898 1.000 0.786 CB 1.439 15 residues pruned to eliminate duplicates Z: 8 10.269 1.797 0.424 0.778 1.000 0.857 CB 1.187 8 residues pruned to eliminate duplicates Z: 10 13.792 1.683 0.652 0.907 1.000 0.778 CA 1.176 11 residues pruned to eliminate duplicates Z: 9 4.258 1.619 0.445 0.404 0.750 0.250 O 0.949 Z: 16 16.944 2.067 0.643 0.474 0.933 0.600 CB 1.417 17 residues pruned to eliminate duplicates Z: 8 4.879 1.439 0.789 0.570 0.857 0.714 CB 0.781 Z: 8 10.004 1.806 0.378 0.855 1.000 0.857 CB 1.121 7 residues pruned to eliminate duplicates Z: 13 5.976 1.792 0.075 0.541 0.917 0.667 CB 0.938 9 residues pruned to eliminate duplicates Z: 10 8.982 1.758 0.928 0.487 0.667 0.333 CB 1.342 10 residues pruned to eliminate duplicates Z: 19 13.831 1.953 0.532 0.390 0.944 0.444 CB 1.296 19 residues pruned to eliminate duplicates Z: 8 4.824 1.821 -0.338 0.813 1.000 0.571 CB 1.152 8 residues pruned to eliminate duplicates Z: 18 11.644 1.820 0.357 0.855 0.941 0.765 CB 0.897 20 residues pruned to eliminate duplicates Z: 10 6.933 1.624 0.269 0.716 0.778 0.667 CB 1.186 10 residues pruned to eliminate duplicates Z: 14 29.463 1.959 0.987 0.934 1.000 0.692 CB 1.464 14 residues pruned to eliminate duplicates Z: 9 11.038 1.817 0.449 0.702 0.875 0.625 CB 1.410 9 residues pruned to eliminate duplicates Z: 15 22.767 1.966 0.635 0.904 1.000 0.857 CB 1.348 15 residues pruned to eliminate duplicates Z: 11 11.877 1.629 0.731 0.806 1.000 0.600 CB 1.019 10 residues pruned to eliminate duplicates Z: 6 4.077 1.723 0.185 0.567 0.600 0.600 CB 1.395 Z: 20 11.046 1.756 0.463 0.557 0.895 0.526 CB 1.043 19 residues pruned to eliminate duplicates Z: 11 9.157 1.782 0.621 0.456 0.800 0.600 CB 1.311 Z: 12 15.851 1.547 0.859 0.826 1.000 0.727 CB 1.254 11 residues pruned to eliminate duplicates Z: 7 3.426 1.508 0.337 0.401 0.833 0.667 CB 0.923 Z: 16 11.251 1.737 0.441 0.510 0.933 0.600 CB 1.231 34 residues pruned to eliminate duplicates Z: 18 15.776 1.786 0.326 0.869 1.000 0.706 CB 1.180 17 residues pruned to eliminate duplicates Z: 10 10.720 1.786 0.447 0.784 1.000 0.667 CB 1.077 10 residues pruned to eliminate duplicates Z: 18 18.793 1.844 0.677 0.866 0.882 0.588 CB 1.223 19 residues pruned to eliminate duplicates Z: 10 9.801 1.583 0.442 0.711 0.889 0.778 CA 1.329 10 residues pruned to eliminate duplicates Z: 8 3.187 1.455 0.382 0.460 0.714 0.714 O 0.874 Z: 9 3.823 1.628 0.616 0.452 0.875 0.500 CB 0.617 Z: 24 11.244 1.762 0.554 0.372 0.870 0.478 CB 1.130 Z: 7 3.058 1.711 0.184 0.238 0.667 0.333 CA 1.254 Z: 16 5.756 1.677 0.344 0.260 0.800 0.533 CB 1.086 16 residues pruned to eliminate duplicates Z: 11 9.265 1.468 0.494 0.895 1.000 0.900 CB 0.958 9 residues pruned to eliminate duplicates Z: 15 14.463 1.774 0.838 0.875 0.929 0.500 CB 0.929 Z: 12 7.019 1.660 0.440 0.467 0.727 0.455 CB 1.259 6 residues pruned to eliminate duplicates Z: 8 8.773 1.827 0.438 0.646 1.000 0.714 CB 1.101 8 residues pruned to eliminate duplicates Z: 14 9.703 1.811 0.391 0.486 0.846 0.538 CA 1.281 14 residues pruned to eliminate duplicates Z: 8 5.344 1.599 0.108 0.800 1.000 0.571 CB 0.877 8 residues pruned to eliminate duplicates 7 1.949 1.394 -0.016 0.246 0.833 0.500 CB 0.933 ? Z: 20 23.310 1.916 0.478 0.869 1.000 0.947 CA 1.379 20 residues pruned to eliminate duplicates Z: 16 19.754 1.866 0.802 0.922 0.867 0.533 CB 1.231 16 residues pruned to eliminate duplicates Z: 9 3.163 1.585 0.012 0.296 0.750 0.375 CB 1.168 Z: 17 20.445 1.888 0.463 0.911 1.000 0.750 CB 1.312 17 residues pruned to eliminate duplicates Z: 12 14.337 1.852 0.899 0.631 0.818 0.727 N 1.328 12 residues pruned to eliminate duplicates Z: 15 24.796 1.964 0.906 0.914 1.000 0.786 CB 1.252 15 residues pruned to eliminate duplicates Z: 11 11.861 1.820 0.480 0.743 0.900 0.400 CB 1.244 11 residues pruned to eliminate duplicates Z: 18 20.534 1.880 0.566 0.868 0.941 0.824 CB 1.313 18 residues pruned to eliminate duplicates Z: 30 14.859 1.915 0.583 0.297 0.931 0.517 CB 1.227 30 residues pruned to eliminate duplicates Z: 11 8.790 1.667 0.885 0.879 0.900 0.700 CB 0.713 11 residues pruned to eliminate duplicates Z: 19 30.767 1.945 0.919 0.880 1.000 0.667 CB 1.408 19 residues pruned to eliminate duplicates Z: 19 20.454 1.918 0.516 0.814 0.944 0.611 CB 1.336 19 residues pruned to eliminate duplicates Z: 13 8.744 1.826 0.199 0.379 1.000 0.417 CB 1.312 10 residues pruned to eliminate duplicates Z: 22 14.588 1.759 0.711 0.518 0.857 0.619 CB 1.212 18 residues pruned to eliminate duplicates Z: 15 25.746 1.913 0.951 0.931 1.000 0.571 CB 1.289 15 residues pruned to eliminate duplicates Z: 10 10.676 1.718 0.449 0.638 1.000 0.667 CB 1.256 10 residues pruned to eliminate duplicates Z: 20 22.158 1.784 0.743 0.847 0.947 0.684 CB 1.281 18 residues pruned to eliminate duplicates Z: 16 22.212 1.911 0.490 0.916 1.000 0.867 CB 1.423 16 residues pruned to eliminate duplicates Z: 9 20.154 1.878 0.896 0.870 1.000 0.625 CB 1.460 9 residues pruned to eliminate duplicates Z: 19 9.238 1.630 0.505 0.434 0.778 0.500 CB 1.222 15 residues pruned to eliminate duplicates Z: 7 5.716 1.229 0.843 0.755 1.000 0.500 CB 0.820 6 residues pruned to eliminate duplicates Z: 13 9.735 1.781 0.442 0.619 1.000 0.667 CB 0.978 7 residues pruned to eliminate duplicates Z: 36 19.137 1.823 0.534 0.488 0.886 0.571 CB 1.322 17 residues pruned to eliminate duplicates Z: 10 11.328 1.889 0.536 0.561 0.889 0.667 N 1.380 11 residues pruned to eliminate duplicates Z: 17 7.327 1.633 0.324 0.320 0.875 0.500 CB 1.182 17 residues pruned to eliminate duplicates Z: 20 20.650 1.813 0.693 0.821 0.947 0.737 CB 1.233 20 residues pruned to eliminate duplicates Z: 27 14.075 1.803 0.341 0.442 0.885 0.538 CA 1.370 30 residues pruned to eliminate duplicates Z: 21 19.475 2.038 0.617 0.398 1.000 0.850 CB 1.471 21 residues pruned to eliminate duplicates Z: 14 16.575 1.970 0.527 0.890 0.923 0.692 CB 1.191 14 residues pruned to eliminate duplicates Z: 18 10.021 1.748 0.399 0.349 0.882 0.647 CB 1.326 18 residues pruned to eliminate duplicates Z: 19 14.972 1.853 0.585 0.432 0.889 0.556 CB 1.451 19 residues pruned to eliminate duplicates Z: 12 15.277 1.902 0.519 0.613 1.000 0.636 CB 1.432 12 residues pruned to eliminate duplicates Z: 34 18.382 1.934 0.516 0.367 0.909 0.606 CB 1.385 34 residues pruned to eliminate duplicates Z: 18 25.595 1.960 0.958 0.881 0.882 0.471 CB 1.328 18 residues pruned to eliminate duplicates Z: 20 19.350 1.919 0.459 0.855 0.947 0.842 CA 1.235 20 residues pruned to eliminate duplicates Z: 16 14.177 1.848 0.710 0.458 0.867 0.600 CB 1.395 19 residues pruned to eliminate duplicates Z: 11 16.070 1.764 0.774 0.671 1.000 0.700 N 1.387 11 residues pruned to eliminate duplicates Z: 15 13.379 1.818 0.727 0.560 0.857 0.500 CB 1.254 15 residues pruned to eliminate duplicates Z: 17 10.902 1.781 0.435 0.417 0.875 0.438 CB 1.329 17 residues pruned to eliminate duplicates Z: 9 10.493 1.705 0.449 0.839 1.000 0.875 CB 1.121 9 residues pruned to eliminate duplicates Z: 17 9.676 1.787 0.496 0.384 0.938 0.625 CB 1.091 17 residues pruned to eliminate duplicates Z: 12 12.433 1.822 0.311 0.864 0.909 0.727 CB 1.267 12 residues pruned to eliminate duplicates Z: 14 11.523 1.858 0.677 0.345 0.923 0.615 CA 1.314 14 residues pruned to eliminate duplicates Z: 14 16.431 1.692 1.055 0.618 0.923 0.692 CB 1.271 Z: 34 26.401 1.917 0.633 0.663 0.970 0.606 CB 1.302 33 residues pruned to eliminate duplicates Z: 9 6.801 1.619 0.735 0.461 0.875 0.375 CB 1.018 10 residues pruned to eliminate duplicates Z: 20 15.516 1.785 0.607 0.421 0.947 0.526 CA 1.423 20 residues pruned to eliminate duplicates Z: 12 13.085 1.714 0.739 0.680 0.909 0.818 CB 1.234 12 residues pruned to eliminate duplicates Z: 7 5.173 1.666 0.061 0.808 0.833 0.500 CB 1.096 7 residues pruned to eliminate duplicates Z: 14 20.085 1.965 0.610 0.932 1.000 0.846 CB 1.229 14 residues pruned to eliminate duplicates Z: 6 7.882 1.689 0.592 0.415 1.000 0.600 CA 1.433 Z: 14 10.593 1.778 0.346 0.591 0.923 0.462 CB 1.219 14 residues pruned to eliminate duplicates Z: 18 14.160 2.039 0.599 0.419 0.882 0.647 CB 1.299 18 residues pruned to eliminate duplicates Z: 16 13.538 1.739 0.527 0.584 0.933 0.733 N 1.302 16 residues pruned to eliminate duplicates Z: 9 7.668 1.570 0.371 0.855 0.875 0.750 N 1.061 9 residues pruned to eliminate duplicates Z: 15 18.506 1.756 0.607 0.879 1.000 0.786 N 1.271 14 residues pruned to eliminate duplicates Z: 17 16.459 1.758 0.394 0.898 1.000 0.750 CB 1.201 17 residues pruned to eliminate duplicates Z: 10 5.462 1.875 0.437 0.285 0.778 0.667 CB 1.106 10 residues pruned to eliminate duplicates Z: 6 2.799 1.638 0.013 0.796 1.000 1.000 CB 0.583 Z: 7 5.413 1.613 0.618 0.366 0.833 0.667 CA 1.174 Z: 17 19.438 1.881 0.682 0.928 0.938 0.812 CB 1.148 17 residues pruned to eliminate duplicates Z: 10 9.909 1.589 0.449 0.804 0.889 0.667 N 1.237 10 residues pruned to eliminate duplicates Z: 23 20.546 1.883 0.652 0.638 0.909 0.591 CB 1.362 23 residues pruned to eliminate duplicates Z: 16 8.314 1.739 0.459 0.337 0.800 0.600 CB 1.264 16 residues pruned to eliminate duplicates Z: 7 3.949 1.766 0.276 0.800 1.000 0.500 CB 0.550 6 residues pruned to eliminate duplicates Z: 18 21.834 1.866 0.727 0.852 0.882 0.765 CB 1.377 18 residues pruned to eliminate duplicates Z: 18 13.887 1.979 0.581 0.401 0.882 0.765 CA 1.354 15 residues pruned to eliminate duplicates Z: 34 18.742 2.083 0.419 0.376 0.909 0.636 CB 1.386 34 residues pruned to eliminate duplicates Z: 32 22.998 1.983 0.664 0.661 0.903 0.645 CB 1.194 32 residues pruned to eliminate duplicates Z: 10 7.810 1.571 0.320 0.761 0.889 0.889 CB 1.120 Z: 26 17.133 1.846 0.836 0.536 0.840 0.600 CB 1.162 26 residues pruned to eliminate duplicates Z: 15 14.040 1.806 0.554 0.645 0.857 0.643 CA 1.362 15 residues pruned to eliminate duplicates Z: 31 14.325 1.991 0.526 0.304 0.867 0.500 CB 1.235 31 residues pruned to eliminate duplicates Z: 10 8.572 1.694 0.760 0.492 0.667 0.556 CB 1.449 Z: 15 11.460 1.842 0.659 0.386 0.857 0.571 CA 1.320 15 residues pruned to eliminate duplicates Z: 8 3.629 1.442 0.455 0.308 0.714 0.571 CB 1.133 Z: 16 14.491 1.829 0.601 0.457 0.933 0.400 CB 1.430 16 residues pruned to eliminate duplicates Z: 20 18.269 1.756 0.436 0.878 0.947 0.895 CB 1.274 20 residues pruned to eliminate duplicates Z: 10 4.704 1.682 0.113 0.731 0.889 0.778 CB 0.766 Z: 19 19.231 1.971 0.680 0.443 1.000 0.778 CB 1.451 19 residues pruned to eliminate duplicates Z: 13 9.273 1.731 0.930 0.387 0.750 0.583 CB 1.204 13 residues pruned to eliminate duplicates Z: 12 7.022 1.735 0.096 0.627 0.818 0.727 CB 1.207 12 residues pruned to eliminate duplicates Z: 14 14.682 1.682 0.349 0.813 1.000 0.462 CB 1.367 12 residues pruned to eliminate duplicates Z: 19 22.451 1.807 0.904 0.855 0.944 0.500 CB 1.202 19 residues pruned to eliminate duplicates Z: 12 11.184 1.693 0.518 0.860 0.909 0.909 CA 1.062 12 residues pruned to eliminate duplicates Z: 40 17.604 1.913 0.580 0.340 0.872 0.487 CB 1.273 40 residues pruned to eliminate duplicates Z: 13 13.066 1.712 0.262 0.847 0.917 0.667 O 1.415 13 residues pruned to eliminate duplicates Z: 6 5.636 1.600 0.398 0.495 1.000 1.000 N 1.133 Z: 18 21.727 1.846 0.757 0.667 0.941 0.706 CB 1.480 18 residues pruned to eliminate duplicates Z: 28 12.204 1.823 0.406 0.420 0.778 0.519 CB 1.281 28 residues pruned to eliminate duplicates Z: 9 3.388 1.549 0.470 0.323 0.500 0.250 N 1.279 9 residues pruned to eliminate duplicates Z: 7 4.331 1.545 0.478 0.269 0.833 0.500 N 1.208 Z: 6 2.554 1.791 0.161 0.363 0.800 0.400 CB 0.796 Z: 14 5.311 1.497 0.424 0.369 0.769 0.308 CB 1.034 14 residues pruned to eliminate duplicates Z: 22 14.615 1.676 0.499 0.591 0.952 0.667 CB 1.222 12 residues pruned to eliminate duplicates Z: 10 9.930 1.822 0.339 0.741 0.889 0.667 CB 1.230 11 residues pruned to eliminate duplicates Z: 7 6.327 1.841 0.000 0.536 1.000 0.667 CB 1.354 Z: 18 11.889 1.882 0.723 0.354 0.882 0.529 CB 1.181 18 residues pruned to eliminate duplicates Z: 9 4.480 1.479 0.429 0.524 0.875 0.625 CB 0.837 Z: 15 17.148 1.779 0.537 0.837 0.929 0.643 CB 1.350 15 residues pruned to eliminate duplicates Z: 9 4.340 1.610 0.428 0.458 0.750 0.500 CB 0.930 6 residues pruned to eliminate duplicates Z: 13 8.081 1.720 0.496 0.397 0.833 0.500 CB 1.212 8 residues pruned to eliminate duplicates Z: 8 10.678 2.109 0.213 0.721 1.000 0.714 CA 1.292 8 residues pruned to eliminate duplicates Z: 12 25.558 2.023 0.869 0.929 1.000 0.909 CB 1.427 12 residues pruned to eliminate duplicates Z: 11 12.210 1.895 0.804 0.264 1.000 0.600 CB 1.478 11 residues pruned to eliminate duplicates Z: 17 19.281 1.853 0.429 0.938 1.000 0.938 CB 1.266 17 residues pruned to eliminate duplicates Z: 8 7.083 1.755 0.530 0.461 0.857 0.429 CB 1.211 Z: 14 12.365 1.675 0.496 0.828 0.846 0.692 N 1.219 14 residues pruned to eliminate duplicates Z: 18 18.800 1.862 0.602 0.859 0.882 0.765 CA 1.274 16 residues pruned to eliminate duplicates Z: 7 8.277 1.377 0.795 0.662 1.000 0.667 C 1.177 Z: 7 7.731 1.615 0.568 0.664 0.833 0.667 CB 1.285 Z: 15 20.747 1.800 0.578 0.884 1.000 0.714 CA 1.410 16 residues pruned to eliminate duplicates Z: 13 15.770 1.975 0.497 0.714 0.833 0.750 N 1.522 13 residues pruned to eliminate duplicates Z: 7 8.694 1.833 0.800 0.523 0.667 0.667 N 1.578 8 residues pruned to eliminate duplicates Z: 13 16.953 1.758 0.675 0.751 0.917 0.750 O 1.449 Z: 12 9.729 1.522 0.563 0.625 1.000 0.636 CB 1.097 Z: 21 15.239 1.857 0.512 0.512 0.850 0.500 CB 1.411 21 residues pruned to eliminate duplicates Z: 6 9.400 1.555 0.499 0.850 1.000 1.000 CB 1.336 4 residues pruned to eliminate duplicates Z: 35 22.359 1.845 0.679 0.611 0.941 0.676 CB 1.183 35 residues pruned to eliminate duplicates Z: 26 13.587 1.903 0.593 0.356 0.840 0.520 CB 1.247 26 residues pruned to eliminate duplicates Z: 19 8.328 1.731 0.249 0.454 0.778 0.556 CB 1.224 31 residues pruned to eliminate duplicates Z: 23 16.043 1.967 0.663 0.427 0.909 0.636 CB 1.241 23 residues pruned to eliminate duplicates Z: 15 6.801 1.840 0.084 0.282 0.929 0.286 CB 1.255 15 residues pruned to eliminate duplicates Z: 29 19.110 1.767 0.600 0.610 0.857 0.643 CB 1.342 29 residues pruned to eliminate duplicates Z: 10 13.692 1.878 0.927 0.883 1.000 0.778 CB 0.912 10 residues pruned to eliminate duplicates Z: 10 3.999 1.707 0.097 0.357 0.667 0.333 CB 1.245 7 residues pruned to eliminate duplicates Z: 12 21.294 1.731 0.995 0.705 1.000 0.727 N 1.542 13 residues pruned to eliminate duplicates Z: 15 9.609 2.072 0.322 0.437 0.929 0.714 CB 1.078 15 residues pruned to eliminate duplicates Z: 18 15.395 1.606 0.728 0.686 0.941 0.588 CB 1.205 32 residues pruned to eliminate duplicates Z: 7 2.368 1.617 -0.180 0.574 0.833 0.667 CB 0.814 Z: 20 13.995 1.990 0.450 0.345 0.895 0.684 CB 1.472 20 residues pruned to eliminate duplicates Z: 19 19.638 1.668 1.035 0.738 1.000 0.833 CB 1.101 Z: 37 25.407 1.954 0.734 0.627 0.889 0.528 CB 1.247 37 residues pruned to eliminate duplicates Z: 15 20.916 1.957 0.666 0.899 1.000 0.571 CB 1.226 15 residues pruned to eliminate duplicates Z: 18 15.543 1.901 0.455 0.524 0.941 0.529 CB 1.414 18 residues pruned to eliminate duplicates Z: 11 7.711 1.657 0.439 0.405 0.800 0.500 N 1.413 Z: 14 6.465 1.452 0.610 0.498 0.769 0.462 CB 0.999 15 residues pruned to eliminate duplicates Z: 19 14.290 1.884 0.586 0.379 0.889 0.556 CB 1.443 18 residues pruned to eliminate duplicates Z: 8 4.649 1.534 0.460 0.378 0.714 0.429 N 1.250 Z: 8 8.129 1.646 0.692 0.901 1.000 1.000 CB 0.787 8 residues pruned to eliminate duplicates Z: 6 4.605 1.351 0.343 0.776 0.800 0.400 CB 1.111 6 residues pruned to eliminate duplicates Z: 37 25.418 1.983 0.563 0.697 0.917 0.667 CB 1.246 37 residues pruned to eliminate duplicates Z: 20 19.962 1.808 0.643 0.625 1.000 0.737 CB 1.371 20 residues pruned to eliminate duplicates Z: 9 5.099 1.618 0.382 0.414 0.875 0.500 CB 1.008 9 residues pruned to eliminate duplicates Z: 8 9.499 1.891 0.379 0.847 1.000 0.857 CB 1.022 18 residues pruned to eliminate duplicates Z: 10 18.109 1.893 0.793 0.806 1.000 0.667 CB 1.362 16 residues pruned to eliminate duplicates Z: 12 11.100 1.750 0.695 0.646 0.909 0.727 CB 1.082 Z: 37 19.872 1.983 0.593 0.318 0.889 0.639 CB 1.443 38 residues pruned to eliminate duplicates Z: 8 7.450 1.593 0.675 0.539 1.000 0.429 CB 1.016 Z: 7 3.288 1.330 0.675 0.363 0.833 0.333 C 0.838 Z: 8 7.616 1.652 0.669 0.669 0.714 0.714 N 1.251 8 residues pruned to eliminate duplicates Z: 9 2.871 1.360 0.174 0.256 0.875 0.500 C 0.962 Z: 15 20.561 1.870 0.574 0.803 0.929 0.786 CB 1.543 15 residues pruned to eliminate duplicates Z: 8 2.413 1.353 0.119 0.407 0.857 0.571 N 0.775 Z: 6 7.574 1.505 0.426 0.760 1.000 0.600 CB 1.253 6 residues pruned to eliminate duplicates Z: 8 4.642 1.755 1.143 0.612 0.857 0.571 CB 0.490 8 residues pruned to eliminate duplicates Z: 14 10.271 1.903 0.557 0.425 0.846 0.538 CB 1.228 14 residues pruned to eliminate duplicates Z: 11 12.682 1.641 0.789 0.756 0.900 0.700 CB 1.208 11 residues pruned to eliminate duplicates Z: 14 6.421 1.691 0.388 0.342 0.846 0.308 CB 1.065 9 residues pruned to eliminate duplicates Z: 15 21.899 1.953 0.602 0.894 1.000 0.714 CB 1.342 15 residues pruned to eliminate duplicates Z: 6 4.321 1.442 -0.105 0.762 1.000 1.000 N 1.187 Z: 24 12.177 1.681 0.497 0.491 0.870 0.609 CB 1.171 13 residues pruned to eliminate duplicates Z: 38 24.448 1.934 0.733 0.532 0.919 0.595 CB 1.264 38 residues pruned to eliminate duplicates Z: 7 8.630 1.636 0.487 0.538 1.000 0.833 N 1.395 Z: 15 19.218 1.781 0.637 0.821 1.000 0.857 CA 1.334 15 residues pruned to eliminate duplicates Z: 10 2.555 1.243 0.422 0.334 0.667 0.444 N 0.867 6 residues pruned to eliminate duplicates Z: 12 16.709 1.772 0.603 0.869 1.000 0.636 N 1.296 12 residues pruned to eliminate duplicates Z: 18 21.359 1.831 0.529 0.877 1.000 0.765 CB 1.344 17 residues pruned to eliminate duplicates Z: 13 4.299 1.583 0.339 0.424 0.833 0.333 CB 0.760 6 1.033 1.292 0.601 0.831 0.800 0.600 CB 0.210 ? Z: 12 10.677 1.419 0.761 0.892 1.000 0.727 CB 0.925 12 residues pruned to eliminate duplicates 6 1.970 1.406 0.495 0.566 1.000 0.600 CB 0.393 ? Z: 6 3.769 1.598 -0.290 0.833 1.000 0.800 N 1.114 Z: 12 4.259 1.583 0.187 0.420 0.727 0.545 CB 1.021 10 residues pruned to eliminate duplicates Z: 8 6.157 1.581 0.255 0.512 1.000 0.857 CB 1.159 Z: 12 12.345 1.514 0.869 0.844 1.000 0.818 CB 0.978 12 residues pruned to eliminate duplicates Z: 18 23.077 1.883 0.824 0.892 0.941 0.588 CB 1.245 18 residues pruned to eliminate duplicates Z: 9 6.590 1.672 0.755 0.519 0.875 0.500 CB 0.890 9 residues pruned to eliminate duplicates Z: 10 3.466 1.544 0.174 0.605 0.667 0.333 CB 0.865 Z: 24 23.048 1.878 0.540 0.697 0.957 0.739 CA 1.451 31 residues pruned to eliminate duplicates Z: 9 7.333 1.268 0.710 0.814 1.000 0.625 CB 0.910 8 residues pruned to eliminate duplicates Z: 24 14.200 1.829 0.544 0.479 0.913 0.478 CB 1.173 24 residues pruned to eliminate duplicates Z: 17 9.702 1.660 0.139 0.620 0.875 0.688 CB 1.309 23 residues pruned to eliminate duplicates Z: 17 12.484 1.768 0.532 0.470 0.938 0.375 CB 1.268 16 residues pruned to eliminate duplicates 7 1.885 1.701 -0.082 0.578 0.833 0.667 CB 0.549 ? Z: 16 16.332 1.742 0.847 0.642 0.800 0.733 O 1.435 12 residues pruned to eliminate duplicates Z: 7 3.071 1.546 0.429 0.379 0.833 0.500 CB 0.774 Z: 18 21.026 1.781 0.751 0.918 1.000 0.706 CB 1.153 18 residues pruned to eliminate duplicates Z: 10 16.593 1.926 0.681 0.794 1.000 0.556 CB 1.321 10 residues pruned to eliminate duplicates Z: 9 5.715 1.662 0.553 0.392 0.750 0.500 CB 1.170 9 residues pruned to eliminate duplicates Z: 12 8.629 1.830 0.774 0.423 0.727 0.545 CB 1.194 12 residues pruned to eliminate duplicates Z: 19 17.058 1.827 0.650 0.816 0.944 0.500 CB 1.073 19 residues pruned to eliminate duplicates Z: 33 18.337 1.663 0.694 0.605 0.938 0.500 CB 1.110 47 residues pruned to eliminate duplicates Z: 7 5.163 1.365 0.497 0.638 1.000 0.667 CB 0.907 Z: 16 16.608 1.862 0.527 0.879 0.933 0.533 CB 1.172 16 residues pruned to eliminate duplicates Z: 12 12.835 1.820 0.636 0.601 0.818 0.545 O 1.442 12 residues pruned to eliminate duplicates Z: 6 3.891 1.526 0.040 0.467 1.000 0.400 C 1.134 Z: 8 5.369 1.657 0.674 0.402 0.714 0.429 N 1.136 8 residues pruned to eliminate duplicates Z: 7 4.260 1.688 0.276 0.227 0.833 0.333 CB 1.333 7 residues pruned to eliminate duplicates Z: 32 25.397 1.940 0.684 0.594 0.903 0.613 CA 1.412 31 residues pruned to eliminate duplicates Z: 11 5.286 1.517 0.227 0.459 0.900 0.700 CB 1.041 8 residues pruned to eliminate duplicates Z: 8 3.743 1.498 0.297 0.452 0.857 0.429 CB 0.892 Z: 25 19.850 1.750 0.525 0.722 0.958 0.708 CB 1.296 25 residues pruned to eliminate duplicates Z: 6 2.856 1.477 0.367 0.426 0.800 0.800 CB 0.854 Z: 10 11.056 1.614 0.595 0.712 0.889 0.556 N 1.328 10 residues pruned to eliminate duplicates Z: 10 4.485 1.522 0.295 0.426 0.778 0.667 CB 1.053 10 residues pruned to eliminate duplicates Z: 19 8.154 1.737 0.062 0.557 0.833 0.333 CB 1.183 Z: 17 8.536 1.592 0.565 0.469 0.812 0.625 CB 1.089 17 residues pruned to eliminate duplicates Z: 11 8.177 1.773 0.689 0.543 1.000 0.600 CB 0.828 11 residues pruned to eliminate duplicates Z: 19 16.626 1.830 0.982 0.626 0.833 0.611 CB 1.151 19 residues pruned to eliminate duplicates Z: 35 22.573 1.859 0.468 0.670 0.912 0.618 CB 1.330 35 residues pruned to eliminate duplicates Z: 7 3.551 1.867 0.640 0.814 0.667 0.667 CB 0.541 Z: 8 2.140 1.325 0.771 0.219 0.571 0.286 N 0.839 Z: 38 21.580 2.024 0.433 0.389 0.946 0.703 CB 1.454 37 residues pruned to eliminate duplicates Z: 10 4.634 1.341 0.461 0.465 0.889 0.222 N 0.920 3 residues pruned to eliminate duplicates Z: 38 25.965 1.882 0.653 0.613 0.865 0.703 CB 1.425 36 residues pruned to eliminate duplicates Z: 22 10.958 1.675 0.485 0.427 1.000 0.476 CB 1.037 22 residues pruned to eliminate duplicates Z: 6 3.606 1.635 0.171 0.545 0.600 0.400 CA 1.342 Z: 11 12.712 1.582 1.133 0.655 0.800 0.700 O 1.289 11 residues pruned to eliminate duplicates Z: 17 22.797 1.839 0.804 0.809 1.000 0.812 CB 1.312 16 residues pruned to eliminate duplicates Z: 6 4.641 1.373 0.484 0.719 1.000 0.800 C 0.836 6 residues pruned to eliminate duplicates Z: 10 8.501 1.423 0.887 0.823 1.000 0.667 CB 0.798 Z: 6 7.895 1.684 0.855 0.728 0.800 0.400 N 1.150 Z: 12 15.397 1.722 0.604 0.874 1.000 0.909 CB 1.223 12 residues pruned to eliminate duplicates Z: 6 2.373 1.598 -0.109 0.422 1.000 0.400 CB 0.808 6 1.756 1.358 0.612 0.352 0.600 0.400 CB 0.702 ? Z: 7 5.594 1.802 0.051 0.895 1.000 1.000 CB 0.864 Z: 18 9.919 1.710 0.278 0.411 0.882 0.529 CB 1.370 18 residues pruned to eliminate duplicates Z: 10 12.658 1.932 0.549 0.858 0.778 0.556 CB 1.335 10 residues pruned to eliminate duplicates Z: 7 3.200 1.302 0.474 0.367 0.833 0.667 CB 0.942 Z: 30 22.197 1.785 0.859 0.586 0.897 0.655 CB 1.275 46 residues pruned to eliminate duplicates Z: 24 11.203 1.851 0.526 0.338 0.826 0.522 CB 1.195 24 residues pruned to eliminate duplicates Z: 7 2.642 1.260 0.486 0.560 0.833 0.667 CB 0.652 Z: 6 4.825 1.538 0.368 0.630 1.000 0.600 O 0.907 Z: 10 10.306 1.723 0.682 0.504 0.889 0.556 CB 1.329 12 residues pruned to eliminate duplicates Z: 6 2.978 1.314 0.605 0.299 0.800 0.600 C 0.988 Z: 11 16.680 1.946 0.546 0.904 1.000 0.800 CB 1.249 11 residues pruned to eliminate duplicates Z: 36 20.908 1.837 0.581 0.529 0.914 0.686 CB 1.293 36 residues pruned to eliminate duplicates Z: 9 12.627 1.736 0.831 0.873 1.000 0.875 CB 1.023 9 residues pruned to eliminate duplicates Z: 6 6.329 1.587 0.641 0.825 0.800 0.600 CA 1.025 6 residues pruned to eliminate duplicates Z: 10 3.015 1.480 0.565 0.356 0.667 0.444 CB 0.761 6 residues pruned to eliminate duplicates Z: 12 10.298 1.610 0.907 0.450 0.909 0.364 CB 1.171 12 residues pruned to eliminate duplicates 6 1.915 1.430 0.782 0.100 0.600 0.200 N 0.933 ? Z: 8 7.349 1.685 0.970 0.745 0.714 0.286 CB 0.941 8 residues pruned to eliminate duplicates Z: 10 10.877 1.613 0.891 0.628 0.778 0.667 CB 1.354 Z: 16 10.191 1.660 0.362 0.627 0.933 0.800 CB 1.106 27 residues pruned to eliminate duplicates Z: 11 12.236 1.801 0.486 0.817 0.900 0.800 CB 1.220 11 residues pruned to eliminate duplicates Z: 14 8.932 1.588 0.526 0.573 0.846 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 8 8.379 2.037 -0.031 0.747 1.000 1.000 CB 1.286 8 residues pruned to eliminate duplicates Z: 6 4.048 1.520 0.344 0.423 0.800 0.600 N 1.200 4 residues pruned to eliminate duplicates Z: 9 10.391 1.444 0.841 0.866 1.000 0.625 CA 1.012 8 residues pruned to eliminate duplicates Z: 10 6.958 1.625 0.518 0.401 0.889 0.667 CB 1.173 10 residues pruned to eliminate duplicates Z: 6 2.332 1.245 -0.128 0.774 0.800 0.400 CB 0.942 Z: 19 9.413 1.628 0.629 0.435 0.889 0.556 CB 1.007 19 residues pruned to eliminate duplicates Z: 21 9.531 1.650 0.632 0.451 0.850 0.450 CB 0.979 21 residues pruned to eliminate duplicates Z: 11 4.458 1.432 0.462 0.462 0.900 0.600 CB 0.778 7 1.877 1.104 0.577 0.353 1.000 0.333 CB 0.516 ? 6 1.194 1.214 0.223 0.114 0.600 0.400 N 0.975 ? Z: 19 15.252 1.860 0.398 0.590 0.889 0.389 CA 1.427 19 residues pruned to eliminate duplicates Z: 9 9.598 1.514 0.486 0.857 1.000 0.625 CA 1.112 9 residues pruned to eliminate duplicates Z: 10 9.025 1.695 0.564 0.878 1.000 0.778 CB 0.823 10 residues pruned to eliminate duplicates Z: 15 10.265 1.826 0.502 0.474 0.929 0.714 CB 1.106 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 10 11.107 1.737 0.585 0.764 1.000 0.889 CB 1.064 10 residues pruned to eliminate duplicates Z: 13 5.718 1.688 0.366 0.470 1.000 0.583 CB 0.738 13 residues pruned to eliminate duplicates Z: 9 7.224 1.664 0.404 0.528 0.875 0.500 CB 1.216 9 residues pruned to eliminate duplicates Z: 13 10.464 1.700 0.543 0.630 1.000 0.667 CB 1.019 13 residues pruned to eliminate duplicates Z: 8 7.620 1.812 0.430 0.667 0.857 0.571 CB 1.111 8 residues pruned to eliminate duplicates Z: 10 9.205 1.724 0.595 0.625 0.889 0.444 CB 1.116 10 residues pruned to eliminate duplicates Z: 8 13.711 1.888 0.871 0.831 1.000 0.714 CB 1.101 8 residues pruned to eliminate duplicates Z: 19 19.908 1.914 0.658 0.782 0.833 0.778 CB 1.383 19 residues pruned to eliminate duplicates Z: 14 22.844 2.048 0.655 0.893 0.923 0.769 CB 1.453 14 residues pruned to eliminate duplicates Z: 19 17.539 1.850 0.447 0.670 1.000 0.611 CB 1.320 19 residues pruned to eliminate duplicates Z: 19 19.020 1.890 0.460 0.711 1.000 0.722 CB 1.342 19 residues pruned to eliminate duplicates Z: 17 19.350 1.962 0.500 0.793 0.938 0.750 CA 1.356 17 residues pruned to eliminate duplicates Z: 23 22.059 1.878 0.601 0.754 0.955 0.818 CB 1.306 25 residues pruned to eliminate duplicates Z: 16 20.978 1.873 0.889 0.839 0.867 0.467 CA 1.319 16 residues pruned to eliminate duplicates Z: 20 20.393 1.933 0.445 0.710 0.947 0.684 CB 1.461 19 residues pruned to eliminate duplicates Z: 15 28.404 2.022 0.789 0.926 1.000 0.929 CB 1.472 15 residues pruned to eliminate duplicates Z: 21 20.814 1.893 0.519 0.743 0.950 0.600 CB 1.371 19 residues pruned to eliminate duplicates Z: 15 25.453 1.983 0.736 0.903 1.000 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 20 20.405 1.944 0.397 0.757 0.947 0.737 CB 1.447 20 residues pruned to eliminate duplicates Z: 21 20.950 1.917 0.435 0.674 1.000 0.700 CB 1.450 21 residues pruned to eliminate duplicates Z: 19 19.834 1.870 0.531 0.820 0.944 0.778 CA 1.310 19 residues pruned to eliminate duplicates Z: 20 21.498 1.838 0.662 0.827 0.947 0.737 CB 1.284 20 residues pruned to eliminate duplicates Z: 19 22.635 1.787 0.797 0.843 0.944 0.778 CB 1.310 19 residues pruned to eliminate duplicates Z: 15 12.595 1.737 0.630 0.540 0.857 0.714 CB 1.334 15 residues pruned to eliminate duplicates Z: 11 14.717 1.879 0.746 0.591 1.000 0.800 CB 1.300 11 residues pruned to eliminate duplicates Z: 10 15.039 1.820 0.722 0.609 1.000 0.667 CA 1.443 10 residues pruned to eliminate duplicates Z: 6 2.142 1.461 0.339 0.276 1.000 0.600 CA 0.631 Z: 7 4.326 1.410 0.601 0.355 0.833 0.500 N 1.097 Z: 7 5.984 1.486 1.000 0.560 0.833 0.667 N 0.930 14 residues pruned to eliminate duplicates Z: 47 33.123 1.888 0.829 0.645 0.913 0.696 CB 1.353 85 residues pruned to eliminate duplicates Z: 6 4.023 1.493 1.321 0.217 0.800 0.400 CA 0.905 6 residues pruned to eliminate duplicates Z: 24 16.895 1.941 0.560 0.453 0.957 0.565 CB 1.276 24 residues pruned to eliminate duplicates Z: 20 21.129 2.065 0.682 0.621 0.895 0.579 CB 1.391 20 residues pruned to eliminate duplicates Z: 22 17.122 1.865 0.645 0.708 0.905 0.667 CB 1.114 22 residues pruned to eliminate duplicates Z: 21 19.977 1.963 0.707 0.738 0.950 0.850 CB 1.134 21 residues pruned to eliminate duplicates Z: 29 19.154 1.930 0.580 0.668 0.893 0.714 CB 1.138 29 residues pruned to eliminate duplicates Z: 64 40.029 1.944 0.773 0.648 0.937 0.651 CB 1.361 67 residues pruned to eliminate duplicates Z: 6 2.988 1.367 0.194 0.452 1.000 0.200 CB 0.860 6 residues pruned to eliminate duplicates Z: 9 9.254 1.939 0.555 0.778 1.000 0.875 CB 0.848 9 residues pruned to eliminate duplicates Z: 15 20.240 1.925 0.608 0.932 1.000 0.929 CB 1.221 14 residues pruned to eliminate duplicates Z: 13 15.986 2.051 0.273 0.921 1.000 0.833 CB 1.244 13 residues pruned to eliminate duplicates Z: 13 17.494 2.036 0.414 0.821 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 13 21.503 2.068 0.570 0.903 1.000 0.750 CB 1.363 13 residues pruned to eliminate duplicates Z: 12 19.728 2.093 0.462 0.920 1.000 0.909 CB 1.369 12 residues pruned to eliminate duplicates Z: 12 19.450 2.016 0.693 0.841 1.000 0.909 CB 1.281 12 residues pruned to eliminate duplicates Z: 13 19.030 1.921 0.624 0.843 0.917 0.833 CB 1.430 13 residues pruned to eliminate duplicates Z: 15 16.173 1.986 0.554 0.791 0.929 0.857 CB 1.168 15 residues pruned to eliminate duplicates Z: 13 22.354 2.080 0.731 0.905 1.000 0.833 CB 1.276 13 residues pruned to eliminate duplicates Z: 13 22.525 2.072 0.703 0.912 1.000 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 14 21.893 2.007 0.652 0.890 1.000 0.692 CB 1.317 14 residues pruned to eliminate duplicates Z: 24 9.273 1.778 0.520 0.278 0.870 0.478 CB 1.058 24 residues pruned to eliminate duplicates Z: 9 6.495 1.741 0.193 0.303 1.000 0.375 CB 1.378 22 residues pruned to eliminate duplicates Z: 6 4.036 1.796 0.514 0.180 0.800 0.400 CB 1.221 6 residues pruned to eliminate duplicates Z: 16 13.577 2.101 0.586 0.264 0.933 0.333 CB 1.476 16 residues pruned to eliminate duplicates Z: 26 14.585 1.902 0.560 0.346 0.960 0.640 CB 1.210 26 residues pruned to eliminate duplicates Z: 29 21.390 2.063 0.697 0.304 0.964 0.500 CB 1.489 29 residues pruned to eliminate duplicates Z: 6 4.634 2.171 0.300 0.289 0.800 0.400 CA 1.164 6 residues pruned to eliminate duplicates Z: 36 24.306 2.022 0.822 0.365 0.914 0.571 CB 1.411 36 residues pruned to eliminate duplicates Z: 36 16.518 1.912 0.644 0.276 0.886 0.457 CB 1.293 36 residues pruned to eliminate duplicates Z: 32 21.342 2.064 0.613 0.356 0.903 0.677 CB 1.489 32 residues pruned to eliminate duplicates Z: 35 21.294 2.014 0.632 0.334 0.912 0.529 CB 1.461 35 residues pruned to eliminate duplicates Z: 35 19.233 1.993 0.542 0.345 0.853 0.559 CB 1.489 35 residues pruned to eliminate duplicates Z: 37 19.329 1.991 0.559 0.313 0.861 0.694 CB 1.482 37 residues pruned to eliminate duplicates Z: 36 24.042 2.037 0.675 0.331 0.971 0.629 CB 1.474 36 residues pruned to eliminate duplicates Z: 39 19.849 1.988 0.611 0.315 0.868 0.684 CB 1.421 36 residues pruned to eliminate duplicates Z: 7 4.675 1.608 0.665 0.382 0.833 0.667 CA 0.970 7 residues pruned to eliminate duplicates Z: 32 22.254 2.062 0.791 0.305 0.935 0.581 CB 1.437 37 residues pruned to eliminate duplicates Z: 8 6.113 1.407 0.772 0.453 1.000 0.571 CA 0.973 8 residues pruned to eliminate duplicates Z: 16 9.360 1.946 0.668 0.285 0.800 0.533 CA 1.186 16 residues pruned to eliminate duplicates Z: 35 20.750 1.992 0.614 0.301 0.941 0.529 CB 1.468 35 residues pruned to eliminate duplicates Z: 29 16.538 2.062 0.709 0.271 0.857 0.607 CB 1.341 29 residues pruned to eliminate duplicates Z: 14 12.164 2.018 0.754 0.328 0.846 0.692 CA 1.361 14 residues pruned to eliminate duplicates Z: 15 11.846 1.954 0.662 0.343 0.857 0.643 CA 1.348 15 residues pruned to eliminate duplicates Z: 14 11.880 1.953 0.692 0.343 0.846 0.692 CA 1.397 14 residues pruned to eliminate duplicates Z: 13 10.561 1.700 0.596 0.573 0.917 0.667 CB 1.142 9 residues pruned to eliminate duplicates Z: 12 13.541 1.777 0.658 0.861 1.000 0.636 CB 1.018 12 residues pruned to eliminate duplicates Z: 14 9.846 1.702 0.613 0.522 0.846 0.462 CB 1.150 13 residues pruned to eliminate duplicates Z: 11 15.564 1.856 0.738 0.848 0.900 0.600 CB 1.258 11 residues pruned to eliminate duplicates Z: 12 9.276 1.778 0.288 0.643 0.909 0.727 CB 1.176 12 residues pruned to eliminate duplicates Z: 10 10.812 1.886 0.316 0.683 0.889 0.667 CB 1.381 10 residues pruned to eliminate duplicates Z: 17 8.609 1.651 0.670 0.506 0.750 0.625 CB 1.036 16 residues pruned to eliminate duplicates Z: 17 19.028 1.858 0.845 0.920 1.000 0.625 CB 0.977 16 residues pruned to eliminate duplicates Z: 12 13.122 1.754 0.569 0.873 1.000 0.636 CB 1.047 11 residues pruned to eliminate duplicates Z: 16 22.018 1.757 0.679 0.897 1.000 0.800 CB 1.380 16 residues pruned to eliminate duplicates Z: 11 19.218 1.817 0.846 0.823 1.000 0.700 CB 1.370 11 residues pruned to eliminate duplicates Z: 16 25.370 1.802 0.876 0.865 1.000 0.533 N 1.420 15 residues pruned to eliminate duplicates Z: 15 21.977 1.777 0.783 0.877 1.000 0.786 CB 1.346 15 residues pruned to eliminate duplicates Z: 15 26.354 1.841 0.805 0.921 1.000 0.714 N 1.491 16 residues pruned to eliminate duplicates Z: 15 21.260 1.782 0.728 0.876 1.000 0.643 N 1.341 15 residues pruned to eliminate duplicates Z: 14 24.435 1.850 0.870 0.897 1.000 0.769 N 1.402 14 residues pruned to eliminate duplicates Z: 14 25.246 1.834 0.880 0.872 1.000 0.615 N 1.480 14 residues pruned to eliminate duplicates Z: 15 25.924 1.837 0.834 0.907 1.000 0.571 N 1.461 15 residues pruned to eliminate duplicates Z: 17 22.763 1.753 0.749 0.821 1.000 0.500 CA 1.405 16 residues pruned to eliminate duplicates Z: 14 26.732 1.859 0.918 0.892 1.000 0.692 N 1.494 14 residues pruned to eliminate duplicates Z: 15 28.629 1.866 0.894 0.936 1.000 0.571 N 1.508 15 residues pruned to eliminate duplicates Z: 25 22.643 1.869 0.698 0.650 1.000 0.708 CB 1.267 25 residues pruned to eliminate duplicates Z: 22 27.088 1.948 0.894 0.734 1.000 0.714 CB 1.299 22 residues pruned to eliminate duplicates Z: 31 19.010 1.824 0.760 0.510 0.933 0.533 CB 1.147 31 residues pruned to eliminate duplicates Z: 25 22.662 1.816 0.673 0.644 1.000 0.667 CB 1.330 25 residues pruned to eliminate duplicates Z: 22 19.642 1.838 0.648 0.617 0.952 0.619 CB 1.330 22 residues pruned to eliminate duplicates Z: 30 18.714 1.861 0.635 0.523 0.966 0.552 CB 1.156 30 residues pruned to eliminate duplicates Z: 28 16.626 1.825 0.687 0.560 0.852 0.556 CB 1.150 28 residues pruned to eliminate duplicates Z: 20 14.687 1.861 0.621 0.562 0.789 0.474 CB 1.333 20 residues pruned to eliminate duplicates Z: 16 18.112 1.918 0.855 0.610 0.933 0.600 CB 1.269 16 residues pruned to eliminate duplicates Z: 62 37.989 1.902 0.829 0.681 0.918 0.574 CB 1.290 62 residues pruned to eliminate duplicates Z: 27 18.369 1.847 0.663 0.548 0.923 0.538 CB 1.212 27 residues pruned to eliminate duplicates Z: 13 22.414 2.079 0.910 0.662 0.917 0.500 CB 1.529 13 residues pruned to eliminate duplicates Z: 63 33.098 1.873 0.696 0.622 0.952 0.597 CB 1.240 63 residues pruned to eliminate duplicates Z: 29 18.622 1.831 0.732 0.519 0.857 0.500 CB 1.271 29 residues pruned to eliminate duplicates Z: 17 17.740 1.801 0.692 0.629 1.000 0.625 CB 1.289 17 residues pruned to eliminate duplicates Z: 18 16.810 1.986 0.684 0.485 0.882 0.588 CB 1.403 18 residues pruned to eliminate duplicates Z: 11 10.100 1.871 1.125 0.365 0.800 0.400 CB 1.161 11 residues pruned to eliminate duplicates Z: 13 22.725 2.081 0.850 0.651 1.000 0.667 CB 1.481 13 residues pruned to eliminate duplicates Z: 35 19.797 1.807 0.731 0.566 0.882 0.618 CB 1.154 35 residues pruned to eliminate duplicates Z: 15 14.187 1.981 0.618 0.527 0.857 0.571 CB 1.344 15 residues pruned to eliminate duplicates Z: 11 11.140 1.871 0.736 0.557 1.000 0.700 CB 1.026 11 residues pruned to eliminate duplicates Z: 7 9.206 1.904 0.962 0.484 1.000 0.500 CB 1.022 7 residues pruned to eliminate duplicates Z: 8 3.489 1.749 0.694 0.284 0.571 0.429 CB 0.994 8 residues pruned to eliminate duplicates Z: 7 7.882 1.801 0.767 0.372 0.833 0.333 CB 1.391 7 residues pruned to eliminate duplicates Z: 6 6.870 1.894 0.581 0.383 1.000 0.400 CB 1.163 6 residues pruned to eliminate duplicates Z: 17 12.705 1.757 1.244 0.362 0.812 0.438 N 1.150 17 residues pruned to eliminate duplicates Z: 13 12.496 1.619 0.625 0.641 1.000 0.833 CB 1.202 13 residues pruned to eliminate duplicates Z: 15 12.089 1.662 0.630 0.532 0.929 0.500 CB 1.244 15 residues pruned to eliminate duplicates Z: 17 14.345 1.739 0.301 0.840 1.000 0.875 CA 1.183 17 residues pruned to eliminate duplicates Z: 15 13.852 1.810 0.333 0.817 0.929 0.714 CB 1.255 15 residues pruned to eliminate duplicates Z: 19 16.028 1.803 0.510 0.673 0.944 0.833 CB 1.252 19 residues pruned to eliminate duplicates Z: 23 21.818 1.824 0.623 0.773 1.000 0.682 CB 1.234 23 residues pruned to eliminate duplicates Z: 16 14.659 1.698 0.739 0.653 0.933 0.467 CB 1.191 16 residues pruned to eliminate duplicates Z: 16 12.327 1.643 0.596 0.729 0.933 0.533 CB 1.059 16 residues pruned to eliminate duplicates Z: 16 16.852 1.793 0.492 0.759 1.000 0.667 CB 1.292 15 residues pruned to eliminate duplicates Z: 18 20.829 1.881 0.500 0.870 1.000 0.882 CB 1.307 18 residues pruned to eliminate duplicates Z: 15 15.650 1.808 0.618 0.734 0.929 0.786 CB 1.248 15 residues pruned to eliminate duplicates Z: 22 16.328 1.799 0.575 0.701 0.905 0.762 CB 1.158 22 residues pruned to eliminate duplicates Z: 24 20.311 1.821 0.658 0.730 0.957 0.696 CB 1.193 24 residues pruned to eliminate duplicates Z: 24 19.958 1.789 0.588 0.750 1.000 0.609 CB 1.171 24 residues pruned to eliminate duplicates Z: 24 19.399 1.790 0.598 0.684 1.000 0.652 CB 1.195 24 residues pruned to eliminate duplicates Z: 23 23.980 1.823 0.763 0.773 1.000 0.636 CB 1.250 23 residues pruned to eliminate duplicates Z: 14 12.813 1.834 0.633 0.736 0.846 0.231 CB 1.134 14 residues pruned to eliminate duplicates Z: 25 18.986 1.835 0.606 0.701 0.917 0.583 CB 1.195 25 residues pruned to eliminate duplicates Z: 23 23.087 1.836 0.746 0.773 0.955 0.636 CB 1.264 23 residues pruned to eliminate duplicates Z: 6 5.308 1.751 0.459 0.150 1.000 0.400 CB 1.428 6 residues pruned to eliminate duplicates Z: 17 12.710 1.854 0.511 0.419 0.938 0.562 CB 1.316 17 residues pruned to eliminate duplicates Z: 6 4.176 1.777 0.860 0.289 0.600 0.400 CB 1.193 6 residues pruned to eliminate duplicates Z: 15 11.723 1.872 0.311 0.423 1.000 0.429 CB 1.383 15 residues pruned to eliminate duplicates Z: 19 12.248 1.731 0.631 0.437 0.889 0.611 CB 1.228 17 residues pruned to eliminate duplicates Z: 6 4.629 1.424 0.620 0.375 1.000 0.800 CA 1.025 6 residues pruned to eliminate duplicates Z: 13 12.334 1.808 0.899 0.480 0.917 0.583 CB 1.154 14 residues pruned to eliminate duplicates 6 1.785 1.197 0.322 0.467 0.800 0.400 N 0.652 ? Z: 11 13.814 1.889 0.286 0.698 1.000 0.800 CB 1.500 11 residues pruned to eliminate duplicates Z: 24 12.893 1.910 0.269 0.434 0.826 0.565 CB 1.437 24 residues pruned to eliminate duplicates Z: 31 15.231 1.849 0.249 0.464 0.900 0.600 CB 1.388 31 residues pruned to eliminate duplicates Z: 25 13.685 1.826 0.436 0.409 0.917 0.458 CB 1.279 25 residues pruned to eliminate duplicates Z: 23 14.417 1.867 0.508 0.485 0.864 0.545 CB 1.284 23 residues pruned to eliminate duplicates Z: 23 15.675 1.919 0.526 0.475 0.818 0.500 CB 1.431 23 residues pruned to eliminate duplicates Z: 16 10.694 1.761 0.450 0.513 0.800 0.333 CB 1.335 16 residues pruned to eliminate duplicates Z: 25 14.533 1.846 0.533 0.496 0.917 0.417 CB 1.148 25 residues pruned to eliminate duplicates Z: 10 18.942 1.808 0.799 0.844 1.000 0.778 CA 1.445 11 residues pruned to eliminate duplicates Z: 10 15.847 1.698 0.954 0.861 0.889 0.778 CB 1.316 10 residues pruned to eliminate duplicates Z: 28 16.484 1.911 0.520 0.352 0.889 0.556 CB 1.441 28 residues pruned to eliminate duplicates Z: 13 10.248 1.683 0.602 0.453 1.000 0.667 CB 1.151 13 residues pruned to eliminate duplicates Z: 29 17.065 1.880 0.444 0.438 0.964 0.500 CB 1.314 29 residues pruned to eliminate duplicates Z: 12 10.903 1.853 0.060 0.515 1.000 0.636 N 1.650 12 residues pruned to eliminate duplicates Z: 7 6.276 1.631 0.558 0.651 0.833 0.833 N 1.051 7 residues pruned to eliminate duplicates Z: 6 4.431 1.781 0.009 0.528 0.800 0.400 N 1.342 6 residues pruned to eliminate duplicates Z: 14 14.215 1.934 0.668 0.571 0.846 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 12 25.082 1.992 0.976 0.721 1.000 0.727 N 1.575 12 residues pruned to eliminate duplicates Z: 29 19.079 1.829 0.541 0.556 0.893 0.571 CB 1.357 29 residues pruned to eliminate duplicates Z: 13 15.366 1.915 0.458 0.648 0.917 0.583 CA 1.509 13 residues pruned to eliminate duplicates Z: 13 19.653 1.978 0.677 0.703 0.917 0.667 N 1.552 13 residues pruned to eliminate duplicates Z: 51 24.000 1.889 0.641 0.392 0.920 0.560 CB 1.334 65 residues pruned to eliminate duplicates Z: 6 2.887 1.597 0.378 0.100 0.800 0.600 N 1.221 Z: 6 5.155 1.366 0.630 0.463 1.000 0.800 CB 1.076 6 residues pruned to eliminate duplicates Z: 12 11.770 1.747 0.789 0.521 0.818 0.636 N 1.359 18 residues pruned to eliminate duplicates Z: 9 14.727 1.768 0.732 0.779 0.875 0.875 CA 1.518 9 residues pruned to eliminate duplicates Z: 13 11.738 1.663 0.814 0.573 0.833 0.833 N 1.256 13 residues pruned to eliminate duplicates Z: 24 15.369 1.807 0.440 0.464 0.913 0.565 CB 1.399 24 residues pruned to eliminate duplicates Z: 24 13.355 1.757 0.395 0.437 0.870 0.391 CB 1.395 32 residues pruned to eliminate duplicates Z: 6 4.732 1.503 0.467 0.456 0.800 0.600 N 1.255 Z: 12 7.826 1.630 0.427 0.879 0.909 0.727 CB 0.809 9 residues pruned to eliminate duplicates Z: 13 10.706 1.584 0.754 0.890 1.000 0.833 CB 0.801 12 residues pruned to eliminate duplicates Z: 10 10.673 1.707 0.513 0.856 1.000 0.667 CB 1.015 9 residues pruned to eliminate duplicates Z: 12 8.932 1.677 0.548 0.823 0.909 0.727 CB 0.862 12 residues pruned to eliminate duplicates Z: 11 10.218 1.684 0.682 0.781 1.000 0.700 CB 0.891 11 residues pruned to eliminate duplicates Z: 8 6.420 1.643 0.397 0.731 0.857 0.714 CB 1.001 8 residues pruned to eliminate duplicates Z: 7 6.561 1.695 0.326 0.711 0.833 0.833 CB 1.181 7 residues pruned to eliminate duplicates Z: 9 6.470 1.551 0.538 0.663 0.875 0.875 CB 0.943 9 residues pruned to eliminate duplicates Z: 13 8.110 1.865 0.450 0.302 1.000 0.250 CB 1.079 13 residues pruned to eliminate duplicates Z: 25 12.375 1.806 0.427 0.401 0.792 0.500 CB 1.374 25 residues pruned to eliminate duplicates Z: 11 8.654 2.058 0.058 0.377 0.900 0.600 CB 1.592 11 residues pruned to eliminate duplicates Z: 12 10.721 1.990 0.198 0.442 1.000 0.545 CB 1.439 12 residues pruned to eliminate duplicates Z: 25 13.444 1.860 0.410 0.424 0.875 0.542 CB 1.295 25 residues pruned to eliminate duplicates Z: 21 11.180 1.844 0.183 0.392 0.950 0.400 CB 1.352 21 residues pruned to eliminate duplicates Z: 23 15.087 1.928 0.263 0.518 0.909 0.636 CB 1.428 23 residues pruned to eliminate duplicates Z: 9 5.122 1.690 0.402 0.305 0.625 0.625 C 1.519 9 residues pruned to eliminate duplicates Z: 25 16.655 1.772 0.494 0.670 0.917 0.750 CB 1.197 25 residues pruned to eliminate duplicates Z: 31 20.891 1.755 0.463 0.720 0.967 0.867 CB 1.259 37 residues pruned to eliminate duplicates Z: 17 21.374 1.887 0.468 0.915 1.000 0.875 CB 1.364 17 residues pruned to eliminate duplicates Z: 39 22.975 1.810 0.605 0.538 0.842 0.658 CB 1.468 39 residues pruned to eliminate duplicates Z: 39 21.427 1.843 0.510 0.604 0.947 0.684 CB 1.194 39 residues pruned to eliminate duplicates Z: 23 23.333 1.790 0.607 0.791 1.000 0.773 CB 1.339 23 residues pruned to eliminate duplicates Z: 26 18.647 1.742 0.687 0.647 0.920 0.600 CB 1.202 26 residues pruned to eliminate duplicates Z: 22 24.025 1.839 0.664 0.777 0.952 0.857 CB 1.408 22 residues pruned to eliminate duplicates Z: 28 21.502 1.847 0.641 0.641 0.926 0.556 CB 1.292 29 residues pruned to eliminate duplicates Z: 17 21.548 1.897 0.521 0.914 1.000 0.812 CB 1.321 17 residues pruned to eliminate duplicates Z: 23 21.548 1.805 0.612 0.703 0.909 0.727 CB 1.443 23 residues pruned to eliminate duplicates Z: 34 27.467 1.760 0.666 0.724 1.000 0.758 CA 1.332 34 residues pruned to eliminate duplicates Z: 23 26.088 1.816 0.698 0.758 1.000 0.727 CB 1.434 23 residues pruned to eliminate duplicates Z: 17 25.035 1.885 0.762 0.916 1.000 0.812 CB 1.330 17 residues pruned to eliminate duplicates Z: 6 3.359 1.605 0.636 0.321 0.800 0.800 CA 0.871 6 residues pruned to eliminate duplicates Z: 21 8.119 1.666 0.325 0.288 0.950 0.600 CB 1.099 16 residues pruned to eliminate duplicates Z: 12 16.351 1.814 0.412 0.843 1.000 0.727 CB 1.433 10 residues pruned to eliminate duplicates Z: 12 16.578 1.821 0.547 0.842 1.000 0.818 CB 1.323 12 residues pruned to eliminate duplicates Z: 18 11.703 1.752 0.349 0.612 0.882 0.529 CB 1.223 15 residues pruned to eliminate duplicates Z: 11 15.428 1.804 0.618 0.807 1.000 0.700 CB 1.278 11 residues pruned to eliminate duplicates Z: 20 13.612 1.946 0.249 0.519 0.947 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 21 12.287 1.904 0.138 0.491 0.900 0.550 CB 1.422 21 residues pruned to eliminate duplicates Z: 17 14.998 1.927 0.507 0.617 0.938 0.500 CB 1.233 17 residues pruned to eliminate duplicates Z: 18 12.854 1.895 0.397 0.518 0.882 0.529 CB 1.310 18 residues pruned to eliminate duplicates Z: 19 15.173 1.878 0.342 0.519 0.944 0.500 CB 1.475 19 residues pruned to eliminate duplicates Z: 20 10.849 1.865 0.324 0.459 0.842 0.316 CB 1.248 20 residues pruned to eliminate duplicates Z: 18 14.376 1.950 0.517 0.476 0.882 0.647 CB 1.369 18 residues pruned to eliminate duplicates Z: 19 17.563 1.972 0.595 0.514 0.944 0.611 CB 1.375 19 residues pruned to eliminate duplicates Z: 21 11.626 1.827 0.544 0.433 0.750 0.500 CB 1.317 21 residues pruned to eliminate duplicates Z: 32 20.070 1.847 0.598 0.421 0.903 0.516 CB 1.468 35 residues pruned to eliminate duplicates Z: 6 2.675 1.687 -0.083 0.221 1.000 0.200 CB 1.073 6 residues pruned to eliminate duplicates Z: 19 12.238 1.866 0.465 0.483 0.778 0.556 CB 1.380 19 residues pruned to eliminate duplicates Z: 16 13.934 1.795 0.492 0.428 0.933 0.467 CA 1.552 16 residues pruned to eliminate duplicates Z: 6 2.630 1.632 0.593 0.384 0.400 0.400 N 1.280 6 residues pruned to eliminate duplicates Z: 33 20.224 1.893 0.511 0.444 0.875 0.500 CB 1.513 32 residues pruned to eliminate duplicates Z: 7 5.363 1.650 0.831 0.378 0.833 0.500 N 0.991 7 residues pruned to eliminate duplicates Z: 23 13.995 1.917 0.438 0.428 0.773 0.318 CB 1.510 33 residues pruned to eliminate duplicates Z: 6 3.379 1.321 0.761 0.300 0.800 0.600 N 1.015 Z: 6 6.567 1.448 0.542 0.802 1.000 0.800 CB 1.009 6 residues pruned to eliminate duplicates Z: 10 7.701 1.659 0.624 0.474 0.778 0.556 N 1.258 10 residues pruned to eliminate duplicates Z: 12 8.902 1.763 0.569 0.459 0.818 0.545 CB 1.236 14 residues pruned to eliminate duplicates Z: 9 7.289 1.586 0.640 0.691 0.875 0.750 N 0.951 15 residues pruned to eliminate duplicates Z: 8 8.087 1.629 0.711 0.693 0.857 0.857 N 1.072 8 residues pruned to eliminate duplicates Z: 25 17.884 1.872 0.445 0.624 0.833 0.500 CB 1.441 25 residues pruned to eliminate duplicates Z: 17 13.665 1.705 0.680 0.485 0.938 0.562 CB 1.291 17 residues pruned to eliminate duplicates Z: 24 9.758 1.706 0.503 0.311 0.870 0.522 CB 1.125 24 residues pruned to eliminate duplicates Z: 9 4.226 1.593 0.363 0.287 1.000 0.375 CB 0.874 9 residues pruned to eliminate duplicates Z: 19 5.883 1.534 0.721 0.197 0.778 0.333 CB 0.970 19 residues pruned to eliminate duplicates Z: 14 4.342 1.745 0.173 0.189 0.846 0.462 CB 1.009 14 residues pruned to eliminate duplicates Z: 69 25.690 1.882 0.614 0.380 0.882 0.618 CB 1.321 69 residues pruned to eliminate duplicates Z: 45 17.276 1.913 0.508 0.300 0.886 0.500 CB 1.272 45 residues pruned to eliminate duplicates Z: 16 5.138 1.606 0.486 0.190 0.867 0.267 CB 0.930 16 residues pruned to eliminate duplicates Z: 31 7.576 1.697 0.252 0.205 0.767 0.333 CB 1.205 31 residues pruned to eliminate duplicates Z: 15 24.507 1.920 0.858 0.879 0.929 0.929 CB 1.434 15 residues pruned to eliminate duplicates Z: 37 24.363 1.898 0.502 0.620 0.917 0.667 CB 1.388 37 residues pruned to eliminate duplicates Z: 14 19.323 1.902 0.754 0.829 0.923 0.769 CB 1.310 14 residues pruned to eliminate duplicates Z: 15 22.245 1.866 0.600 0.846 1.000 0.714 CB 1.479 15 residues pruned to eliminate duplicates Z: 13 22.586 1.954 0.673 0.850 1.000 0.750 CA 1.478 13 residues pruned to eliminate duplicates Z: 15 21.395 1.873 0.800 0.877 0.929 0.714 CB 1.326 15 residues pruned to eliminate duplicates Z: 16 16.092 1.790 0.771 0.679 0.800 0.400 CA 1.390 16 residues pruned to eliminate duplicates Z: 42 27.889 1.865 0.629 0.601 0.976 0.463 CB 1.334 42 residues pruned to eliminate duplicates Z: 32 31.837 1.922 0.652 0.745 1.000 0.548 CB 1.446 32 residues pruned to eliminate duplicates Z: 14 23.463 1.960 0.803 0.792 0.923 0.923 CA 1.544 14 residues pruned to eliminate duplicates Z: 30 30.196 1.941 0.703 0.746 1.000 0.793 CB 1.362 30 residues pruned to eliminate duplicates Z: 37 33.645 1.941 0.775 0.723 0.944 0.806 CB 1.409 37 residues pruned to eliminate duplicates Z: 30 25.231 1.911 0.614 0.692 0.931 0.552 CB 1.369 30 residues pruned to eliminate duplicates Z: 28 26.877 1.969 0.595 0.741 0.963 0.519 CB 1.378 28 residues pruned to eliminate duplicates Z: 63 30.854 1.923 0.606 0.560 0.887 0.565 CB 1.349 63 residues pruned to eliminate duplicates Z: 32 30.571 1.942 0.752 0.697 0.968 0.710 CB 1.393 32 residues pruned to eliminate duplicates Z: 13 20.170 2.082 0.652 0.713 0.917 0.750 CB 1.523 13 residues pruned to eliminate duplicates Z: 16 20.008 1.975 0.643 0.559 0.933 0.600 N 1.611 16 residues pruned to eliminate duplicates Z: 28 32.834 1.975 0.794 0.776 0.963 0.593 CB 1.451 28 residues pruned to eliminate duplicates Z: 31 29.894 1.916 0.833 0.735 0.900 0.467 CB 1.398 31 residues pruned to eliminate duplicates Z: 35 29.000 1.924 0.729 0.678 0.912 0.559 CB 1.392 35 residues pruned to eliminate duplicates Z: 32 29.647 1.916 0.816 0.687 0.968 0.613 CB 1.332 32 residues pruned to eliminate duplicates Z: 42 30.378 1.872 0.820 0.678 0.927 0.512 CB 1.276 42 residues pruned to eliminate duplicates Z: 21 21.745 1.917 0.562 0.651 1.000 0.750 CB 1.411 21 residues pruned to eliminate duplicates Z: 42 27.517 1.853 0.672 0.656 0.951 0.585 CB 1.261 42 residues pruned to eliminate duplicates Z: 40 31.137 1.887 0.773 0.668 0.923 0.795 CB 1.383 40 residues pruned to eliminate duplicates Z: 30 32.340 1.959 0.734 0.747 1.000 0.586 CB 1.417 30 residues pruned to eliminate duplicates Z: 13 13.626 1.792 0.597 0.586 0.917 0.667 N 1.380 13 residues pruned to eliminate duplicates Z: 15 8.742 1.587 0.361 0.458 0.929 0.643 CB 1.217 15 residues pruned to eliminate duplicates Z: 19 11.360 1.637 0.674 0.406 0.889 0.444 CB 1.213 19 residues pruned to eliminate duplicates Z: 38 26.264 1.883 0.688 0.663 0.946 0.568 CB 1.234 38 residues pruned to eliminate duplicates Z: 18 9.240 1.602 0.417 0.402 0.882 0.706 O 1.240 18 residues pruned to eliminate duplicates Z: 36 33.587 1.903 0.862 0.738 0.971 0.657 CB 1.332 36 residues pruned to eliminate duplicates Z: 9 7.770 1.704 0.766 0.557 0.875 0.750 N 0.987 9 residues pruned to eliminate duplicates Z: 29 21.738 1.768 0.692 0.664 0.964 0.714 CB 1.224 29 residues pruned to eliminate duplicates Z: 28 24.013 1.787 0.675 0.668 1.000 0.556 CB 1.322 28 residues pruned to eliminate duplicates Z: 26 25.046 1.795 0.713 0.767 0.960 0.760 CA 1.339 26 residues pruned to eliminate duplicates Z: 24 26.288 1.776 0.764 0.796 1.000 0.870 CA 1.350 23 residues pruned to eliminate duplicates Z: 7 3.703 1.495 0.256 0.288 0.833 0.500 CB 1.227 Z: 6 4.303 1.423 0.515 0.296 1.000 0.600 CB 1.120 Z: 6 2.935 1.346 1.169 0.222 0.600 0.200 CA 1.037 Z: 8 5.188 1.489 1.187 0.414 1.000 0.571 CA 0.659 6 residues pruned to eliminate duplicates Z: 8 5.240 1.695 0.639 0.237 0.714 0.429 N 1.354 6 residues pruned to eliminate duplicates Z: 6 5.188 2.314 0.379 0.365 0.800 0.400 CB 1.051 Z: 6 4.940 2.018 1.096 0.213 0.800 0.400 CB 0.916 6 residues pruned to eliminate duplicates Z: 6 5.094 2.313 0.642 0.360 0.600 0.400 CB 1.162 4 residues pruned to eliminate duplicates Z: 9 10.762 2.069 0.734 0.554 0.875 0.500 CB 1.150 17 residues pruned to eliminate duplicates Z: 35 21.969 2.076 0.634 0.377 0.882 0.618 CB 1.435 35 residues pruned to eliminate duplicates Z: 35 22.010 2.084 0.563 0.375 0.912 0.676 CB 1.452 35 residues pruned to eliminate duplicates Z: 35 21.135 2.061 0.691 0.322 0.882 0.588 CB 1.434 35 residues pruned to eliminate duplicates Z: 34 23.008 2.122 0.557 0.392 0.939 0.636 CB 1.446 34 residues pruned to eliminate duplicates Z: 34 19.033 2.082 0.799 0.327 0.788 0.606 CB 1.357 34 residues pruned to eliminate duplicates Z: 30 16.305 2.099 0.628 0.300 0.793 0.552 CB 1.396 30 residues pruned to eliminate duplicates Z: 34 20.847 2.085 0.657 0.349 0.879 0.576 CB 1.407 34 residues pruned to eliminate duplicates Z: 27 20.840 2.163 0.544 0.359 0.923 0.769 CB 1.544 27 residues pruned to eliminate duplicates Z: 36 25.212 2.061 0.737 0.401 0.914 0.714 CA 1.444 36 residues pruned to eliminate duplicates Z: 34 22.784 2.116 0.646 0.363 0.909 0.636 CB 1.451 34 residues pruned to eliminate duplicates Z: 32 17.667 2.087 0.635 0.320 0.839 0.516 CB 1.353 32 residues pruned to eliminate duplicates Z: 27 15.989 2.119 0.526 0.304 0.846 0.538 CB 1.425 27 residues pruned to eliminate duplicates Z: 11 11.728 2.000 0.355 0.519 1.000 0.900 CA 1.343 11 residues pruned to eliminate duplicates Z: 34 22.972 2.092 0.644 0.362 0.909 0.697 CA 1.484 34 residues pruned to eliminate duplicates Z: 34 26.932 2.146 0.598 0.421 0.939 0.758 CB 1.579 34 residues pruned to eliminate duplicates Z: 35 22.378 2.096 0.660 0.368 0.912 0.618 CB 1.394 35 residues pruned to eliminate duplicates Z: 32 21.143 2.097 0.542 0.409 0.871 0.548 CB 1.484 32 residues pruned to eliminate duplicates Z: 33 20.382 2.029 0.780 0.312 0.875 0.500 CB 1.404 28 residues pruned to eliminate duplicates Z: 8 6.309 1.577 0.324 0.827 1.000 0.571 CB 0.861 8 residues pruned to eliminate duplicates Z: 15 12.185 1.828 0.791 0.437 0.929 0.357 CB 1.143 15 residues pruned to eliminate duplicates Z: 16 9.901 1.772 0.725 0.453 0.867 0.400 CB 1.012 16 residues pruned to eliminate duplicates Z: 11 10.780 1.738 0.857 0.650 0.800 0.600 CB 1.148 11 residues pruned to eliminate duplicates Z: 25 11.845 1.841 0.682 0.426 0.917 0.500 CB 0.919 25 residues pruned to eliminate duplicates Z: 17 13.139 1.814 0.530 0.522 0.938 0.625 CB 1.236 17 residues pruned to eliminate duplicates Z: 20 13.440 1.783 0.620 0.443 0.947 0.368 CB 1.194 20 residues pruned to eliminate duplicates Z: 14 11.807 1.813 0.473 0.480 0.846 0.385 N 1.479 14 residues pruned to eliminate duplicates Z: 13 14.078 1.934 0.457 0.512 0.917 0.667 N 1.555 13 residues pruned to eliminate duplicates Z: 20 13.201 1.810 0.492 0.490 0.842 0.474 CB 1.346 21 residues pruned to eliminate duplicates Z: 6 6.446 1.568 0.725 0.341 1.000 0.600 O 1.267 Z: 7 3.542 1.348 0.287 0.447 1.000 0.833 N 0.880 Z: 6 4.018 1.161 0.990 0.415 1.000 0.800 CB 0.850 Z: 6 2.573 1.375 0.563 0.257 1.000 0.800 CA 0.707 Z: 7 2.806 1.410 0.393 0.321 0.833 0.167 CA 0.853 7 residues pruned to eliminate duplicates Z: 19 13.864 1.768 0.747 0.531 0.833 0.611 CB 1.231 19 residues pruned to eliminate duplicates Z: 22 15.407 1.768 0.768 0.594 0.857 0.667 CB 1.146 22 residues pruned to eliminate duplicates Z: 21 14.873 1.736 0.622 0.519 0.900 0.550 CA 1.288 17 residues pruned to eliminate duplicates Z: 6 3.262 1.522 0.254 0.373 1.000 0.600 CB 0.875 6 residues pruned to eliminate duplicates Z: 29 13.391 1.704 0.468 0.534 0.964 0.500 CB 1.015 29 residues pruned to eliminate duplicates Z: 6 3.163 1.447 0.346 0.358 0.800 0.400 O 1.058 Z: 6 2.178 1.339 0.495 0.366 0.800 0.400 CB 0.703 Z: 10 8.637 1.417 0.470 0.820 1.000 0.778 CA 1.047 10 residues pruned to eliminate duplicates Z: 10 10.876 1.691 0.556 0.773 0.889 0.667 CB 1.218 10 residues pruned to eliminate duplicates Z: 13 11.707 1.735 0.349 0.614 1.000 0.583 CB 1.297 9 residues pruned to eliminate duplicates Z: 11 11.983 1.568 0.682 0.827 1.000 0.600 CA 1.082 11 residues pruned to eliminate duplicates Z: 11 10.933 1.572 0.443 0.871 0.900 0.900 CB 1.236 11 residues pruned to eliminate duplicates Z: 25 11.387 1.625 0.430 0.441 0.875 0.417 CB 1.216 22 residues pruned to eliminate duplicates Z: 8 12.692 1.710 0.767 0.855 1.000 0.857 CB 1.171 8 residues pruned to eliminate duplicates Z: 14 10.453 1.664 0.544 0.588 0.923 0.692 CB 1.123 14 residues pruned to eliminate duplicates Z: 14 10.479 1.763 0.538 0.566 0.923 0.385 CB 1.089 14 residues pruned to eliminate duplicates Z: 40 19.466 1.868 0.422 0.510 0.923 0.667 CB 1.258 40 residues pruned to eliminate duplicates Z: 39 25.767 1.909 0.545 0.586 0.947 0.763 CB 1.377 39 residues pruned to eliminate duplicates Z: 12 9.585 1.802 0.463 0.507 0.818 0.364 N 1.330 12 residues pruned to eliminate duplicates Z: 12 5.802 1.798 0.232 0.253 0.909 0.273 CB 1.153 12 residues pruned to eliminate duplicates Z: 15 10.100 1.687 0.379 0.546 0.929 0.429 CB 1.194 15 residues pruned to eliminate duplicates Z: 33 27.071 1.981 0.546 0.605 0.969 0.688 CB 1.460 33 residues pruned to eliminate duplicates Z: 33 22.208 1.867 0.418 0.561 0.938 0.750 CB 1.491 33 residues pruned to eliminate duplicates Z: 23 17.278 1.896 0.249 0.669 0.955 0.636 CB 1.394 23 residues pruned to eliminate duplicates Z: 37 22.825 1.892 0.413 0.578 0.972 0.667 CB 1.358 37 residues pruned to eliminate duplicates Z: 21 17.928 1.894 0.254 0.762 0.950 0.750 CA 1.408 21 residues pruned to eliminate duplicates Z: 33 21.497 1.944 0.357 0.605 0.938 0.688 CB 1.390 33 residues pruned to eliminate duplicates Z: 39 23.987 1.860 0.504 0.534 0.947 0.632 CB 1.420 39 residues pruned to eliminate duplicates Z: 23 21.506 1.938 0.462 0.725 0.909 0.636 CA 1.453 23 residues pruned to eliminate duplicates Z: 33 27.974 1.991 0.570 0.623 0.938 0.750 CB 1.503 33 residues pruned to eliminate duplicates Z: 28 26.990 1.975 0.639 0.638 0.963 0.852 CB 1.464 28 residues pruned to eliminate duplicates Z: 35 27.529 1.966 0.580 0.598 0.941 0.765 CB 1.471 35 residues pruned to eliminate duplicates Z: 29 26.080 1.972 0.689 0.618 0.893 0.750 CB 1.482 29 residues pruned to eliminate duplicates Z: 28 25.899 1.965 0.637 0.650 0.963 0.741 CB 1.399 28 residues pruned to eliminate duplicates Z: 35 23.445 1.965 0.580 0.527 0.882 0.647 CB 1.430 35 residues pruned to eliminate duplicates Z: 29 25.788 1.978 0.682 0.594 0.964 0.714 CB 1.388 29 residues pruned to eliminate duplicates Z: 31 27.975 1.911 0.868 0.575 0.900 0.467 CB 1.479 31 residues pruned to eliminate duplicates Z: 31 27.542 1.945 0.815 0.547 0.933 0.567 CB 1.457 31 residues pruned to eliminate duplicates Z: 27 28.516 1.965 0.796 0.664 0.923 0.769 CB 1.475 27 residues pruned to eliminate duplicates Z: 34 23.991 1.944 0.672 0.592 0.879 0.636 CB 1.339 34 residues pruned to eliminate duplicates Z: 30 26.236 1.943 0.806 0.612 0.897 0.517 CB 1.393 30 residues pruned to eliminate duplicates Z: 34 25.033 1.902 0.686 0.588 0.909 0.697 CB 1.373 34 residues pruned to eliminate duplicates Z: 29 29.139 1.959 0.824 0.612 0.964 0.643 CB 1.438 29 residues pruned to eliminate duplicates Z: 33 29.655 1.952 0.713 0.634 0.969 0.688 CB 1.426 33 residues pruned to eliminate duplicates Z: 10 14.843 1.980 0.721 0.783 0.889 0.444 CB 1.274 10 residues pruned to eliminate duplicates Z: 12 15.840 1.916 0.618 0.597 1.000 0.455 CB 1.404 12 residues pruned to eliminate duplicates Z: 8 9.893 1.952 0.324 0.578 1.000 0.429 CB 1.341 8 residues pruned to eliminate duplicates Z: 22 10.456 1.756 0.414 0.365 0.857 0.476 CB 1.239 22 residues pruned to eliminate duplicates Z: 12 12.312 1.930 0.386 0.597 0.909 0.636 CB 1.393 12 residues pruned to eliminate duplicates Z: 13 13.639 1.868 0.568 0.519 0.917 0.417 CA 1.438 13 residues pruned to eliminate duplicates Z: 20 15.447 1.915 0.343 0.614 0.842 0.579 CB 1.468 20 residues pruned to eliminate duplicates Z: 20 13.992 1.893 0.365 0.660 0.842 0.474 CB 1.272 20 residues pruned to eliminate duplicates Z: 23 19.818 1.853 0.585 0.714 0.909 0.591 CB 1.303 23 residues pruned to eliminate duplicates Z: 22 17.152 1.859 0.418 0.628 0.905 0.524 CB 1.391 22 residues pruned to eliminate duplicates Z: 21 21.270 1.916 0.491 0.722 1.000 0.750 CB 1.362 21 residues pruned to eliminate duplicates Z: 22 14.365 1.832 0.362 0.699 0.952 0.667 CB 1.100 22 residues pruned to eliminate duplicates Z: 28 15.481 1.753 0.470 0.536 0.889 0.556 CB 1.256 28 residues pruned to eliminate duplicates Z: 19 15.353 1.904 0.419 0.538 0.944 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 19 15.705 1.886 0.520 0.498 0.944 0.389 CA 1.370 6 1.953 1.309 0.307 0.308 1.000 0.200 CB 0.632 ? Z: 7 3.094 1.490 0.360 0.401 1.000 0.667 CA 0.692 7 residues pruned to eliminate duplicates Z: 19 16.375 1.889 0.557 0.612 0.944 0.667 CB 1.249 21 residues pruned to eliminate duplicates Z: 6 4.611 1.528 0.438 0.295 1.000 0.200 CA 1.181 6 residues pruned to eliminate duplicates Z: 24 12.332 1.805 0.570 0.515 0.870 0.522 CB 1.029 24 residues pruned to eliminate duplicates Z: 36 19.759 1.853 0.509 0.657 0.943 0.657 CB 1.096 36 residues pruned to eliminate duplicates Z: 17 13.395 1.814 0.466 0.562 0.938 0.625 CB 1.264 17 residues pruned to eliminate duplicates Z: 7 6.949 1.684 0.506 0.485 1.000 0.667 CA 1.135 7 residues pruned to eliminate duplicates Z: 23 17.472 1.894 0.485 0.607 1.000 0.636 CB 1.196 23 residues pruned to eliminate duplicates Z: 11 7.410 1.759 0.549 0.567 1.000 0.700 CB 0.806 11 residues pruned to eliminate duplicates Z: 33 16.949 1.842 0.349 0.569 0.938 0.688 CB 1.203 33 residues pruned to eliminate duplicates Z: 23 18.240 1.896 0.556 0.648 0.955 0.636 CB 1.204 23 residues pruned to eliminate duplicates Z: 17 14.025 1.869 0.409 0.851 1.000 0.500 CB 0.985 17 residues pruned to eliminate duplicates Z: 23 17.105 1.875 0.510 0.602 0.955 0.636 CB 1.224 23 residues pruned to eliminate duplicates Z: 24 15.024 1.827 0.570 0.577 0.870 0.652 CB 1.166 24 residues pruned to eliminate duplicates Z: 24 19.181 1.866 0.545 0.652 1.000 0.739 CB 1.204 24 residues pruned to eliminate duplicates 652 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 66 D: 7 E: 14 F: 76 G: 15 H: 17 I: 16 J: 18 K: 23 L: 6 M: 14 N: 61 O: 10 P: 100 Q: 28 R: 49 S: 33 T: 6 U: 9 V: 35 W: 9 X: 22 CC for partial structure against native data = 34.98 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.502, Connect. = 0.715 for dens.mod. cycle 1 = 0.300, Contrast = 0.574, Connect. = 0.739 for dens.mod. cycle 2 = 0.300, Contrast = 0.672, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.679, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.688, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.690, Connect. = 0.773 for dens.mod. cycle 6 = 0.300, Contrast = 0.693, Connect. = 0.774 for dens.mod. cycle 7 = 0.300, Contrast = 0.694, Connect. = 0.775 for dens.mod. cycle 8 = 0.300, Contrast = 0.695, Connect. = 0.776 for dens.mod. cycle 9 = 0.300, Contrast = 0.694, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3329 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 759 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 11.099 1.865 0.444 0.268 0.864 0.318 CB 1.325 B: 16 22.901 2.032 0.603 0.868 1.000 0.667 CA 1.327 C: 14 11.710 1.702 0.464 0.577 0.846 0.615 CB 1.430 D: 15 27.421 1.955 0.704 0.945 1.000 0.786 CB 1.522 E: 17 24.352 1.900 0.663 0.904 1.000 0.812 CB 1.372 F: 18 21.039 1.923 0.594 0.863 0.941 0.647 CB 1.297 G: 14 20.286 1.934 0.677 0.940 1.000 1.000 CB 1.205 H: 17 17.200 1.941 0.829 0.897 0.938 0.875 CB 0.925 I: 16 19.448 1.890 0.449 0.918 1.000 0.867 CB 1.293 16 residues pruned to eliminate duplicates J: 22 18.625 1.839 0.489 0.566 1.000 0.619 CB 1.392 K: 34 23.470 1.886 0.607 0.681 0.909 0.788 CB 1.256 17 residues pruned to eliminate duplicates L: 34 23.113 1.899 0.585 0.711 0.970 0.727 CB 1.138 34 residues pruned to eliminate duplicates M: 14 22.064 2.028 0.675 0.620 1.000 0.769 N 1.608 14 residues pruned to eliminate duplicates N: 10 13.042 1.920 0.488 0.478 1.000 0.778 CA 1.557 O: 17 17.828 1.874 0.206 0.918 1.000 1.000 CB 1.391 17 residues pruned to eliminate duplicates P: 28 16.868 1.862 0.625 0.639 0.889 0.704 CB 1.060 28 residues pruned to eliminate duplicates Q: 8 9.333 1.723 0.569 0.796 1.000 0.857 CB 1.007 R: 17 17.996 1.998 0.517 0.842 0.812 0.625 CA 1.362 16 residues pruned to eliminate duplicates S: 31 22.636 2.144 0.605 0.380 0.867 0.633 CA 1.575 T: 11 15.091 1.849 0.705 0.626 0.900 0.800 CB 1.494 U: 27 26.101 1.944 0.755 0.701 0.808 0.538 N 1.546 30 residues pruned to eliminate duplicates V: 13 15.319 2.094 0.886 0.381 0.833 0.500 CA 1.526 9 residues pruned to eliminate duplicates W: 17 23.481 1.887 0.628 0.911 1.000 0.875 CB 1.354 17 residues pruned to eliminate duplicates X: 11 14.346 1.835 0.460 0.817 1.000 0.700 CB 1.286 Y: 29 16.063 1.834 0.614 0.500 0.893 0.607 CB 1.149 Z: 21 24.733 1.972 0.723 0.834 0.900 0.750 CA 1.355 Z: 19 26.551 1.986 0.861 0.873 0.944 0.667 CB 1.306 20 residues pruned to eliminate duplicates Z: 16 17.043 1.821 0.865 0.546 0.867 0.600 CB 1.429 Z: 9 7.142 1.586 0.214 0.833 1.000 0.875 N 0.983 9 residues pruned to eliminate duplicates Z: 16 20.603 1.724 0.652 0.850 1.000 0.800 CA 1.383 Z: 22 18.311 1.969 0.762 0.692 0.905 0.667 CB 1.068 Z: 18 23.243 1.892 0.733 0.868 0.941 0.647 CA 1.335 18 residues pruned to eliminate duplicates Z: 17 18.078 2.006 0.333 0.850 0.938 0.750 CA 1.335 17 residues pruned to eliminate duplicates Z: 18 14.199 1.785 0.665 0.617 0.882 0.588 CB 1.176 Z: 11 12.010 1.782 0.651 0.477 1.000 0.500 N 1.322 Z: 17 15.672 1.967 0.734 0.862 0.875 0.562 CB 0.964 17 residues pruned to eliminate duplicates Z: 18 21.654 1.909 0.614 0.881 1.000 0.706 CB 1.234 17 residues pruned to eliminate duplicates Z: 12 21.082 1.949 0.712 0.832 0.909 0.909 CB 1.573 12 residues pruned to eliminate duplicates Z: 20 23.119 2.000 0.606 0.844 1.000 0.842 CA 1.228 20 residues pruned to eliminate duplicates Z: 15 22.547 1.851 1.092 0.636 0.929 0.571 CB 1.475 Z: 9 5.483 1.473 0.220 0.654 0.875 0.750 N 1.068 9 residues pruned to eliminate duplicates Z: 11 8.307 1.743 0.221 0.536 0.800 0.500 CB 1.490 11 residues pruned to eliminate duplicates Z: 28 12.757 1.907 0.603 0.340 0.815 0.370 CB 1.173 19 residues pruned to eliminate duplicates Z: 15 23.366 1.917 0.707 0.939 1.000 0.786 CB 1.327 15 residues pruned to eliminate duplicates Z: 17 22.721 1.911 0.442 0.912 1.000 0.938 CA 1.460 17 residues pruned to eliminate duplicates Z: 13 15.344 1.898 0.784 0.566 0.833 0.500 CB 1.472 13 residues pruned to eliminate duplicates Z: 14 21.743 1.986 0.823 0.650 1.000 0.615 CB 1.449 14 residues pruned to eliminate duplicates Z: 13 11.779 1.884 0.559 0.596 0.833 0.667 CA 1.267 13 residues pruned to eliminate duplicates Z: 21 29.467 1.916 0.973 0.861 1.000 0.600 CB 1.281 21 residues pruned to eliminate duplicates Z: 29 28.426 2.017 0.661 0.612 0.964 0.786 CA 1.496 26 residues pruned to eliminate duplicates Z: 25 18.900 1.814 0.456 0.695 0.917 0.667 CA 1.333 Z: 14 13.966 1.847 0.797 0.595 0.846 0.538 CB 1.260 14 residues pruned to eliminate duplicates Z: 15 22.672 1.908 0.576 0.916 1.000 1.000 CA 1.423 15 residues pruned to eliminate duplicates Z: 20 27.860 1.937 0.853 0.882 1.000 0.737 CB 1.289 20 residues pruned to eliminate duplicates Z: 27 13.921 2.028 0.400 0.296 0.885 0.577 CB 1.366 15 residues pruned to eliminate duplicates Z: 12 12.495 1.853 0.381 0.818 1.000 0.636 CB 1.116 11 residues pruned to eliminate duplicates Z: 17 16.887 1.769 0.297 0.895 0.938 0.938 CB 1.407 17 residues pruned to eliminate duplicates Z: 8 3.164 1.701 0.176 0.300 0.571 0.429 N 1.307 Z: 16 16.557 1.671 0.748 0.890 0.933 0.800 CB 1.128 16 residues pruned to eliminate duplicates Z: 10 7.134 1.827 0.795 0.480 0.778 0.444 CB 0.952 10 residues pruned to eliminate duplicates Z: 29 30.942 1.952 0.749 0.771 0.893 0.750 CB 1.509 35 residues pruned to eliminate duplicates Z: 20 29.579 1.995 0.731 0.876 1.000 0.632 CA 1.428 20 residues pruned to eliminate duplicates Z: 58 35.504 1.913 0.762 0.662 0.947 0.596 CB 1.268 55 residues pruned to eliminate duplicates Z: 15 23.202 1.858 0.670 0.916 0.929 0.786 N 1.520 15 residues pruned to eliminate duplicates Z: 11 13.952 1.918 0.408 0.667 1.000 0.800 CB 1.401 13 residues pruned to eliminate duplicates Z: 9 8.614 1.774 0.071 0.862 1.000 1.000 CB 1.176 Z: 13 13.997 1.722 0.528 0.801 1.000 0.917 CB 1.180 13 residues pruned to eliminate duplicates Z: 10 10.596 1.812 0.717 0.356 0.889 0.444 N 1.492 9 residues pruned to eliminate duplicates Z: 31 34.174 1.918 0.802 0.725 1.000 0.633 CB 1.474 29 residues pruned to eliminate duplicates Z: 13 13.768 1.872 0.539 0.620 0.917 0.500 CB 1.344 9 residues pruned to eliminate duplicates Z: 13 7.594 1.771 0.138 0.501 0.750 0.583 N 1.449 13 residues pruned to eliminate duplicates Z: 11 17.398 1.790 0.797 0.662 1.000 0.700 N 1.471 Z: 14 19.387 1.901 0.612 0.911 1.000 0.769 CB 1.243 14 residues pruned to eliminate duplicates Z: 10 12.105 1.842 0.401 0.863 1.000 0.889 CA 1.147 10 residues pruned to eliminate duplicates Z: 20 12.675 1.918 0.445 0.358 0.842 0.632 CB 1.452 Z: 17 17.158 1.858 0.568 0.790 0.938 0.750 CA 1.218 19 residues pruned to eliminate duplicates Z: 14 9.482 1.654 0.453 0.809 0.846 0.615 CB 0.988 Z: 10 11.452 1.905 0.413 0.710 1.000 0.778 CB 1.171 10 residues pruned to eliminate duplicates Z: 11 19.778 1.947 0.961 0.620 1.000 0.600 CB 1.463 11 residues pruned to eliminate duplicates Z: 26 16.840 2.089 0.497 0.339 0.880 0.640 CB 1.457 28 residues pruned to eliminate duplicates Z: 10 7.604 1.732 0.332 0.537 0.889 0.667 CB 1.192 Z: 13 17.901 1.853 0.935 0.638 0.917 0.667 CA 1.381 Z: 21 19.700 1.919 0.628 0.585 0.950 0.800 CB 1.368 15 residues pruned to eliminate duplicates Z: 17 22.498 1.985 0.703 0.901 0.875 0.625 CB 1.357 18 residues pruned to eliminate duplicates Z: 13 8.911 1.780 0.369 0.434 0.833 0.583 CB 1.356 13 residues pruned to eliminate duplicates Z: 11 8.701 1.717 0.560 0.648 0.800 0.700 CB 1.119 9 residues pruned to eliminate duplicates Z: 14 20.076 1.916 0.394 0.929 1.000 0.923 CB 1.458 14 residues pruned to eliminate duplicates Z: 15 26.040 1.927 0.812 0.932 1.000 0.643 CB 1.391 15 residues pruned to eliminate duplicates Z: 12 18.718 1.754 0.579 0.904 1.000 1.000 CA 1.451 12 residues pruned to eliminate duplicates Z: 19 17.001 1.798 0.439 0.864 0.889 0.833 CA 1.278 20 residues pruned to eliminate duplicates Z: 23 11.414 1.735 0.554 0.416 0.864 0.409 CB 1.141 9 residues pruned to eliminate duplicates Z: 17 23.830 1.892 0.667 0.824 1.000 0.500 CB 1.427 17 residues pruned to eliminate duplicates Z: 12 16.680 1.595 0.787 0.829 1.000 0.818 CB 1.328 8 residues pruned to eliminate duplicates Z: 8 10.733 1.856 0.238 0.882 1.000 1.000 CA 1.277 6 residues pruned to eliminate duplicates Z: 13 11.090 1.508 0.496 0.766 0.917 0.750 CA 1.223 13 residues pruned to eliminate duplicates Z: 8 7.401 1.666 0.509 0.424 1.000 0.429 CA 1.203 2 residues pruned to eliminate duplicates Z: 17 19.650 1.879 0.291 0.929 1.000 0.938 CB 1.417 17 residues pruned to eliminate duplicates Z: 25 12.177 1.770 0.482 0.445 0.875 0.625 CB 1.145 24 residues pruned to eliminate duplicates Z: 31 21.068 2.029 0.769 0.383 0.933 0.700 CB 1.301 30 residues pruned to eliminate duplicates Z: 8 11.813 1.728 0.796 0.870 0.857 0.714 CA 1.225 Z: 16 23.362 1.902 0.613 0.925 1.000 0.933 CB 1.381 16 residues pruned to eliminate duplicates Z: 17 22.697 1.932 0.546 0.894 1.000 0.750 CB 1.363 16 residues pruned to eliminate duplicates Z: 13 12.943 2.073 0.741 0.383 0.833 0.583 CA 1.407 13 residues pruned to eliminate duplicates Z: 9 5.036 1.620 0.505 0.492 0.750 0.625 CB 0.982 9 residues pruned to eliminate duplicates Z: 18 11.118 1.752 0.394 0.542 0.824 0.529 CB 1.287 18 residues pruned to eliminate duplicates Z: 27 16.942 2.060 0.645 0.333 0.923 0.538 CB 1.275 18 residues pruned to eliminate duplicates Z: 10 12.106 1.502 0.709 0.841 1.000 0.889 N 1.172 Z: 13 15.146 1.929 0.834 0.503 0.917 0.500 CB 1.343 17 residues pruned to eliminate duplicates Z: 17 23.152 1.960 0.713 0.833 0.875 0.688 CB 1.478 17 residues pruned to eliminate duplicates Z: 12 13.680 2.174 0.709 0.407 0.818 0.545 CB 1.496 12 residues pruned to eliminate duplicates Z: 14 6.133 1.649 0.265 0.339 0.846 0.308 N 1.149 9 residues pruned to eliminate duplicates Z: 17 21.747 1.991 0.637 0.862 0.875 0.625 CA 1.399 17 residues pruned to eliminate duplicates Z: 17 15.221 1.849 0.525 0.826 0.812 0.688 CB 1.252 17 residues pruned to eliminate duplicates Z: 11 13.626 1.859 0.671 0.734 0.900 0.700 CB 1.249 Z: 13 19.301 1.966 1.103 0.929 0.917 0.833 CB 1.029 13 residues pruned to eliminate duplicates Z: 40 17.174 1.827 0.594 0.370 0.821 0.462 CB 1.323 40 residues pruned to eliminate duplicates Z: 13 5.764 1.633 0.282 0.426 0.917 0.583 CB 0.936 Z: 14 14.903 1.894 0.641 0.464 1.000 0.769 CB 1.380 12 residues pruned to eliminate duplicates Z: 15 7.416 1.763 0.061 0.511 0.929 0.571 CB 1.129 Z: 12 8.872 1.742 0.238 0.735 0.909 0.727 CB 1.105 12 residues pruned to eliminate duplicates Z: 17 19.927 1.957 0.442 0.870 0.938 0.750 CB 1.374 17 residues pruned to eliminate duplicates Z: 13 10.230 1.883 0.439 0.480 0.833 0.583 N 1.335 14 residues pruned to eliminate duplicates Z: 7 6.879 1.663 0.335 0.545 1.000 0.500 CB 1.210 Z: 18 11.305 1.717 0.681 0.431 0.882 0.647 N 1.156 18 residues pruned to eliminate duplicates Z: 20 26.677 2.004 0.678 0.876 1.000 0.895 CA 1.323 20 residues pruned to eliminate duplicates Z: 6 2.746 1.811 -0.022 0.368 0.600 0.600 CB 1.332 Z: 36 16.668 1.728 0.537 0.446 0.914 0.571 CB 1.227 12 residues pruned to eliminate duplicates Z: 43 22.920 2.039 0.562 0.351 0.881 0.690 CB 1.481 36 residues pruned to eliminate duplicates Z: 13 15.701 1.994 0.334 0.947 1.000 1.000 CB 1.178 13 residues pruned to eliminate duplicates Z: 16 21.737 1.740 0.761 0.912 0.933 0.533 CA 1.390 16 residues pruned to eliminate duplicates Z: 19 23.809 2.004 0.521 0.878 1.000 0.722 CA 1.336 19 residues pruned to eliminate duplicates Z: 8 4.323 1.394 0.313 0.642 0.857 0.571 CA 0.912 Z: 16 19.510 2.046 0.526 0.860 0.867 0.667 CB 1.369 16 residues pruned to eliminate duplicates Z: 14 13.948 1.790 0.182 0.916 1.000 1.000 CA 1.291 14 residues pruned to eliminate duplicates Z: 18 20.701 1.951 0.697 0.888 1.000 0.765 CB 1.093 18 residues pruned to eliminate duplicates Z: 16 19.881 1.918 0.728 0.871 0.867 0.600 CB 1.303 16 residues pruned to eliminate duplicates Z: 25 13.440 2.047 0.433 0.311 0.917 0.458 CB 1.258 25 residues pruned to eliminate duplicates Z: 18 8.959 1.587 0.682 0.426 0.941 0.647 CB 0.934 18 residues pruned to eliminate duplicates Z: 13 21.571 1.955 0.814 0.947 1.000 0.917 CB 1.213 14 residues pruned to eliminate duplicates Z: 16 14.043 1.769 0.607 0.609 0.933 0.733 CB 1.233 16 residues pruned to eliminate duplicates Z: 27 15.905 1.830 0.608 0.537 0.769 0.577 CB 1.329 29 residues pruned to eliminate duplicates Z: 19 31.942 2.027 0.860 0.920 0.944 0.722 CB 1.489 27 residues pruned to eliminate duplicates Z: 9 3.666 1.698 -0.096 0.363 0.875 0.625 CB 1.118 9 residues pruned to eliminate duplicates Z: 7 3.177 1.675 0.236 0.338 0.667 0.333 CB 1.122 Z: 12 13.900 1.597 0.593 0.791 1.000 0.545 CA 1.275 12 residues pruned to eliminate duplicates Z: 19 17.344 1.767 0.647 0.811 0.833 0.778 CB 1.286 19 residues pruned to eliminate duplicates Z: 10 17.198 1.885 0.692 0.864 1.000 0.889 CA 1.318 11 residues pruned to eliminate duplicates Z: 18 26.283 2.040 0.521 0.926 1.000 0.824 CA 1.441 18 residues pruned to eliminate duplicates Z: 8 6.813 1.692 0.572 0.401 0.857 0.571 CB 1.253 Z: 28 24.699 1.939 0.770 0.658 0.926 0.704 CB 1.291 20 residues pruned to eliminate duplicates Z: 10 6.676 1.545 0.539 0.564 0.889 0.556 CB 0.990 Z: 17 21.861 1.879 0.471 0.917 1.000 0.875 CA 1.396 17 residues pruned to eliminate duplicates Z: 14 16.707 1.981 0.447 0.582 1.000 0.615 CB 1.494 14 residues pruned to eliminate duplicates Z: 7 6.277 1.709 0.410 0.597 0.833 0.667 CB 1.164 Z: 10 5.424 1.692 0.089 0.503 0.889 0.667 CB 1.101 10 residues pruned to eliminate duplicates Z: 20 29.696 1.961 0.787 0.866 1.000 0.526 CA 1.423 20 residues pruned to eliminate duplicates Z: 18 23.482 1.909 0.731 0.685 0.941 0.706 CB 1.546 24 residues pruned to eliminate duplicates Z: 23 21.290 1.899 0.812 0.625 0.955 0.636 CB 1.228 30 residues pruned to eliminate duplicates Z: 11 14.957 1.810 0.510 0.814 1.000 0.700 CB 1.317 11 residues pruned to eliminate duplicates Z: 20 25.072 2.006 0.601 0.885 1.000 0.842 CA 1.293 20 residues pruned to eliminate duplicates Z: 26 14.471 2.070 0.361 0.302 0.880 0.520 CB 1.456 26 residues pruned to eliminate duplicates Z: 7 8.402 1.874 0.651 0.645 0.833 0.833 CB 1.162 6 residues pruned to eliminate duplicates Z: 9 6.788 1.739 0.452 0.482 0.750 0.750 CB 1.291 5 residues pruned to eliminate duplicates Z: 17 18.541 1.966 0.755 0.878 1.000 0.812 CB 0.975 17 residues pruned to eliminate duplicates Z: 41 25.055 2.107 0.574 0.344 0.925 0.525 CB 1.530 41 residues pruned to eliminate duplicates Z: 12 6.676 1.646 0.247 0.760 1.000 0.364 CB 0.778 12 residues pruned to eliminate duplicates Z: 16 22.137 1.991 0.514 0.875 1.000 0.600 CA 1.379 16 residues pruned to eliminate duplicates Z: 10 6.857 1.743 0.257 0.796 0.889 0.667 CB 0.905 10 residues pruned to eliminate duplicates Z: 25 6.436 1.718 0.429 0.306 0.708 0.417 CB 0.937 25 residues pruned to eliminate duplicates Z: 15 21.282 1.764 0.963 0.807 0.857 0.571 N 1.466 15 residues pruned to eliminate duplicates Z: 19 18.883 1.659 1.154 0.622 0.889 0.778 CB 1.249 Z: 8 10.551 1.887 0.346 0.850 1.000 0.571 CA 1.163 8 residues pruned to eliminate duplicates Z: 17 20.048 1.944 0.598 0.848 0.875 0.688 CA 1.367 17 residues pruned to eliminate duplicates Z: 19 28.735 2.024 0.736 0.883 1.000 0.667 CA 1.393 19 residues pruned to eliminate duplicates Z: 16 9.236 1.683 0.456 0.451 0.867 0.467 CB 1.181 16 residues pruned to eliminate duplicates Z: 16 18.356 1.860 0.322 0.923 1.000 0.867 CB 1.354 16 residues pruned to eliminate duplicates Z: 39 21.346 1.817 0.600 0.606 0.974 0.605 CB 1.106 31 residues pruned to eliminate duplicates Z: 14 10.121 1.982 0.807 0.433 0.769 0.538 CB 1.093 14 residues pruned to eliminate duplicates Z: 6 6.274 1.801 0.229 0.774 0.800 0.800 CA 1.244 6 residues pruned to eliminate duplicates Z: 11 8.871 1.775 0.068 0.546 1.000 0.500 CB 1.414 11 residues pruned to eliminate duplicates 7 1.391 1.718 0.144 0.337 0.333 0.333 CB 1.035 ? Z: 11 16.455 1.853 0.909 0.506 1.000 0.700 CA 1.462 11 residues pruned to eliminate duplicates Z: 17 12.707 1.951 0.213 0.887 1.000 0.875 CB 0.968 17 residues pruned to eliminate duplicates Z: 16 22.459 1.934 0.568 0.923 0.933 0.933 CB 1.440 16 residues pruned to eliminate duplicates Z: 15 16.868 1.714 0.651 0.912 1.000 0.786 CA 1.128 15 residues pruned to eliminate duplicates Z: 18 23.647 1.967 0.716 0.813 0.882 0.588 CA 1.467 18 residues pruned to eliminate duplicates Z: 14 22.908 1.904 0.850 0.933 1.000 0.923 CB 1.259 13 residues pruned to eliminate duplicates Z: 6 4.994 1.652 0.371 0.451 0.800 0.600 CA 1.296 Z: 16 21.098 1.869 0.608 0.917 1.000 0.867 CB 1.279 16 residues pruned to eliminate duplicates Z: 9 10.533 1.740 0.441 0.828 1.000 1.000 CB 1.118 9 residues pruned to eliminate duplicates Z: 8 7.174 1.832 0.544 0.591 0.857 0.571 CB 1.025 9 residues pruned to eliminate duplicates Z: 8 8.913 1.840 0.685 0.513 0.857 0.429 N 1.251 Z: 7 10.828 1.894 0.320 0.887 1.000 1.000 CA 1.276 7 residues pruned to eliminate duplicates Z: 13 7.224 1.709 0.055 0.620 0.833 0.583 N 1.240 10 residues pruned to eliminate duplicates Z: 25 11.855 1.984 0.589 0.280 0.750 0.542 CB 1.311 25 residues pruned to eliminate duplicates Z: 12 15.919 1.760 0.519 0.893 1.000 0.909 CB 1.289 11 residues pruned to eliminate duplicates Z: 13 18.643 1.819 0.459 0.882 1.000 0.750 CA 1.468 13 residues pruned to eliminate duplicates Z: 10 5.479 1.671 0.408 0.237 0.889 0.556 CB 1.185 Z: 15 25.670 1.933 0.747 0.934 1.000 0.571 CB 1.417 15 residues pruned to eliminate duplicates Z: 7 11.203 1.959 0.926 0.625 0.833 0.500 CB 1.294 7 residues pruned to eliminate duplicates Z: 9 4.266 1.534 0.387 0.257 0.750 0.375 CA 1.248 Z: 19 11.166 1.746 0.568 0.422 0.833 0.667 CA 1.251 6 residues pruned to eliminate duplicates Z: 16 18.357 1.880 0.382 0.909 0.933 0.933 CB 1.388 16 residues pruned to eliminate duplicates Z: 35 20.671 2.106 0.720 0.318 0.882 0.500 CB 1.356 42 residues pruned to eliminate duplicates Z: 11 14.835 1.973 0.590 0.491 1.000 0.800 CA 1.508 11 residues pruned to eliminate duplicates Z: 9 14.033 1.778 0.477 0.851 1.000 1.000 CA 1.399 9 residues pruned to eliminate duplicates Z: 13 20.122 1.915 0.667 0.675 1.000 0.583 N 1.549 13 residues pruned to eliminate duplicates Z: 8 10.252 1.675 0.518 0.838 0.857 0.857 CA 1.330 8 residues pruned to eliminate duplicates Z: 18 19.809 1.947 0.600 0.845 1.000 0.706 CA 1.146 17 residues pruned to eliminate duplicates Z: 11 15.149 1.706 0.568 0.893 1.000 0.800 CB 1.285 11 residues pruned to eliminate duplicates Z: 7 4.064 1.715 0.367 0.382 0.667 0.500 CB 1.204 Z: 11 8.679 1.735 0.534 0.606 0.800 0.700 CB 1.166 11 residues pruned to eliminate duplicates Z: 8 5.234 1.562 0.471 0.289 0.857 0.429 O 1.274 Z: 14 23.494 1.955 0.528 0.944 1.000 1.000 CB 1.510 14 residues pruned to eliminate duplicates Z: 9 9.124 1.517 0.753 0.786 0.875 0.500 CA 1.079 9 residues pruned to eliminate duplicates Z: 7 15.177 1.982 1.165 0.516 1.000 0.667 CB 1.421 Z: 12 12.076 1.769 0.374 0.604 1.000 0.818 CB 1.357 Z: 16 17.757 1.755 0.607 0.870 0.867 0.800 N 1.369 16 residues pruned to eliminate duplicates Z: 16 21.977 1.985 0.509 0.911 1.000 0.600 CA 1.344 16 residues pruned to eliminate duplicates Z: 7 4.496 1.591 0.760 0.376 0.667 0.500 CB 1.122 5 residues pruned to eliminate duplicates Z: 17 21.975 1.900 0.675 0.905 1.000 0.750 CB 1.229 17 residues pruned to eliminate duplicates Z: 16 26.365 1.767 0.863 0.949 1.000 0.867 CA 1.427 16 residues pruned to eliminate duplicates Z: 15 8.175 1.789 0.443 0.362 0.929 0.429 CB 1.058 12 residues pruned to eliminate duplicates Z: 17 10.122 1.778 0.344 0.446 0.938 0.500 CB 1.194 17 residues pruned to eliminate duplicates Z: 14 10.083 1.670 0.649 0.550 0.769 0.538 N 1.257 14 residues pruned to eliminate duplicates Z: 14 18.515 1.915 0.515 0.934 1.000 1.000 CA 1.234 14 residues pruned to eliminate duplicates Z: 8 7.477 1.928 0.016 0.819 1.000 0.857 CB 1.094 Z: 19 13.971 1.783 0.661 0.633 0.833 0.667 CB 1.178 19 residues pruned to eliminate duplicates Z: 18 13.620 1.778 0.419 0.781 0.765 0.529 CB 1.337 18 residues pruned to eliminate duplicates Z: 20 13.751 1.852 0.446 0.641 0.842 0.526 CB 1.226 20 residues pruned to eliminate duplicates Z: 20 9.641 1.817 0.538 0.360 0.842 0.579 CB 1.093 20 residues pruned to eliminate duplicates Z: 15 13.113 1.681 0.639 0.757 0.857 0.571 CB 1.181 15 residues pruned to eliminate duplicates Z: 10 8.424 1.899 0.165 0.562 1.000 0.667 CB 1.195 7 residues pruned to eliminate duplicates Z: 20 27.745 2.001 0.659 0.889 1.000 0.947 CA 1.380 20 residues pruned to eliminate duplicates Z: 24 12.157 1.819 0.790 0.295 0.783 0.565 CA 1.251 24 residues pruned to eliminate duplicates Z: 10 12.730 1.586 0.665 0.890 1.000 1.000 CB 1.156 Z: 15 12.173 1.769 0.453 0.455 0.929 0.500 CB 1.427 12 residues pruned to eliminate duplicates Z: 12 6.166 1.632 0.341 0.322 0.818 0.727 CB 1.263 8 residues pruned to eliminate duplicates Z: 8 12.535 1.698 0.468 0.890 1.000 1.000 CA 1.368 8 residues pruned to eliminate duplicates Z: 36 23.757 1.894 0.436 0.618 0.943 0.657 CA 1.401 47 residues pruned to eliminate duplicates Z: 13 18.540 1.880 0.794 0.694 1.000 0.833 N 1.329 13 residues pruned to eliminate duplicates Z: 9 4.767 1.759 0.100 0.358 0.750 0.375 C 1.353 Z: 20 13.481 2.005 0.538 0.393 0.895 0.579 CB 1.256 18 residues pruned to eliminate duplicates Z: 33 21.809 1.822 0.784 0.683 0.938 0.750 CB 1.070 33 residues pruned to eliminate duplicates Z: 20 20.922 1.796 0.657 0.844 0.895 0.789 CB 1.341 20 residues pruned to eliminate duplicates Z: 18 22.115 1.972 0.688 0.843 0.941 0.529 CA 1.275 18 residues pruned to eliminate duplicates Z: 12 14.323 1.977 0.094 0.837 1.000 0.909 CA 1.494 12 residues pruned to eliminate duplicates Z: 11 11.295 1.648 0.413 0.879 0.900 0.600 CA 1.236 11 residues pruned to eliminate duplicates Z: 6 9.294 1.441 0.836 0.862 1.000 0.800 CB 1.153 Z: 7 6.171 1.704 0.439 0.526 0.833 0.667 CA 1.202 Z: 10 9.181 1.757 0.136 0.832 1.000 0.444 CB 1.151 10 residues pruned to eliminate duplicates Z: 28 25.083 1.845 0.801 0.673 0.926 0.741 CB 1.337 32 residues pruned to eliminate duplicates Z: 36 24.465 1.914 0.805 0.457 0.886 0.600 CB 1.412 36 residues pruned to eliminate duplicates Z: 17 16.366 1.754 0.555 0.631 0.938 0.688 CB 1.415 11 residues pruned to eliminate duplicates Z: 11 9.081 1.803 0.640 0.444 0.900 0.700 CB 1.143 11 residues pruned to eliminate duplicates Z: 6 3.125 1.551 0.721 0.368 0.800 0.400 CB 0.754 Z: 19 15.982 1.762 0.388 0.850 0.944 0.833 CA 1.208 19 residues pruned to eliminate duplicates Z: 16 24.243 1.918 0.771 0.926 1.000 0.867 CB 1.291 16 residues pruned to eliminate duplicates Z: 12 16.267 1.906 0.626 0.603 1.000 0.545 CB 1.435 12 residues pruned to eliminate duplicates Z: 20 10.367 1.790 0.438 0.410 0.842 0.474 CB 1.205 20 residues pruned to eliminate duplicates Z: 12 15.343 1.571 0.715 0.799 1.000 0.727 CB 1.322 12 residues pruned to eliminate duplicates Z: 19 23.570 2.047 0.441 0.854 1.000 0.889 CA 1.391 19 residues pruned to eliminate duplicates Z: 31 17.934 1.901 0.562 0.495 0.833 0.467 CB 1.329 35 residues pruned to eliminate duplicates Z: 14 15.136 2.013 0.724 0.426 0.923 0.692 CA 1.415 14 residues pruned to eliminate duplicates Z: 6 5.931 1.891 -0.043 0.825 1.000 1.000 CB 1.106 Z: 18 9.186 1.674 0.510 0.314 0.882 0.529 N 1.227 18 residues pruned to eliminate duplicates Z: 19 20.277 1.896 0.471 0.858 1.000 0.722 CB 1.262 19 residues pruned to eliminate duplicates Z: 22 11.925 1.753 0.488 0.432 0.857 0.571 CB 1.248 22 residues pruned to eliminate duplicates Z: 6 7.690 1.723 0.529 0.579 1.000 1.000 N 1.210 Z: 20 19.060 1.882 0.808 0.562 0.842 0.579 CA 1.437 49 residues pruned to eliminate duplicates Z: 10 16.849 1.963 0.676 0.788 0.889 0.556 CB 1.490 10 residues pruned to eliminate duplicates Z: 13 19.038 2.002 0.467 0.919 1.000 0.917 CB 1.318 13 residues pruned to eliminate duplicates Z: 18 20.056 2.017 0.671 0.779 0.941 0.824 CB 1.198 18 residues pruned to eliminate duplicates Z: 11 11.500 1.792 0.555 0.635 0.800 0.700 CA 1.437 11 residues pruned to eliminate duplicates Z: 11 14.867 1.809 0.506 0.828 1.000 0.500 CB 1.300 11 residues pruned to eliminate duplicates Z: 29 24.434 1.860 0.730 0.627 0.929 0.607 CB 1.372 29 residues pruned to eliminate duplicates Z: 26 11.291 2.021 0.348 0.321 0.840 0.680 CB 1.201 26 residues pruned to eliminate duplicates Z: 16 11.741 1.872 0.503 0.559 0.867 0.533 CB 1.175 17 residues pruned to eliminate duplicates Z: 12 13.622 1.902 0.291 0.791 0.909 0.818 CA 1.425 12 residues pruned to eliminate duplicates Z: 11 16.872 1.740 0.654 0.924 1.000 0.900 N 1.302 11 residues pruned to eliminate duplicates Z: 13 10.193 1.562 0.448 0.735 0.917 0.583 N 1.150 12 residues pruned to eliminate duplicates Z: 47 19.520 2.015 0.557 0.312 0.826 0.543 CB 1.367 41 residues pruned to eliminate duplicates Z: 7 4.338 1.753 0.388 0.482 0.833 0.667 CB 0.889 Z: 16 8.847 1.670 0.388 0.444 0.933 0.667 CB 1.119 16 residues pruned to eliminate duplicates Z: 17 11.619 1.758 0.527 0.432 0.875 0.500 CB 1.326 Z: 10 2.725 1.512 0.289 0.493 0.667 0.556 CB 0.703 Z: 15 22.062 1.855 0.626 0.869 1.000 0.643 CB 1.428 15 residues pruned to eliminate duplicates Z: 8 12.279 1.800 0.586 0.570 1.000 0.857 CA 1.519 8 residues pruned to eliminate duplicates Z: 16 22.038 1.901 0.551 0.900 0.933 0.800 CB 1.477 16 residues pruned to eliminate duplicates Z: 6 2.854 1.596 0.409 0.461 1.000 0.600 CB 0.591 Z: 23 22.361 1.953 0.668 0.620 0.955 0.591 CB 1.369 23 residues pruned to eliminate duplicates Z: 16 24.804 2.048 0.582 0.869 0.933 0.600 CB 1.546 16 residues pruned to eliminate duplicates Z: 11 13.361 1.855 0.340 0.657 1.000 0.900 N 1.469 11 residues pruned to eliminate duplicates Z: 6 4.989 1.483 0.639 0.431 0.800 0.400 O 1.232 Z: 19 7.487 1.737 0.295 0.566 0.722 0.444 CB 1.019 19 residues pruned to eliminate duplicates Z: 14 16.464 1.898 0.718 0.600 0.923 0.538 CB 1.379 14 residues pruned to eliminate duplicates Z: 16 17.283 1.942 0.627 0.868 1.000 0.800 CB 1.033 16 residues pruned to eliminate duplicates Z: 15 12.501 1.801 0.377 0.582 0.929 0.500 CB 1.341 10 residues pruned to eliminate duplicates Z: 11 16.234 1.644 0.696 0.880 1.000 0.800 N 1.333 11 residues pruned to eliminate duplicates Z: 17 21.901 1.808 0.764 0.904 0.938 0.688 N 1.305 17 residues pruned to eliminate duplicates Z: 21 21.240 1.953 0.911 0.731 0.950 0.600 CB 1.088 21 residues pruned to eliminate duplicates Z: 19 21.979 1.936 0.849 0.730 0.944 0.611 CB 1.246 19 residues pruned to eliminate duplicates Z: 7 4.145 1.429 0.940 0.361 0.833 0.667 CB 0.851 Z: 21 18.153 1.804 0.608 0.666 0.950 0.750 CB 1.264 16 residues pruned to eliminate duplicates Z: 20 27.608 1.904 0.944 0.887 0.947 0.579 CB 1.303 20 residues pruned to eliminate duplicates Z: 7 2.832 1.495 0.093 0.572 0.833 0.667 CB 0.792 Z: 17 16.366 1.764 0.588 0.661 1.000 0.750 CA 1.258 17 residues pruned to eliminate duplicates Z: 11 9.975 1.849 0.322 0.512 1.000 0.400 CB 1.275 11 residues pruned to eliminate duplicates Z: 6 5.428 1.556 0.596 0.556 1.000 0.400 CB 0.926 Z: 6 2.601 1.793 0.042 0.460 0.800 0.400 CA 0.811 6 residues pruned to eliminate duplicates Z: 6 7.210 1.549 0.899 0.654 0.800 0.800 CB 1.188 Z: 20 12.994 1.785 0.422 0.560 0.842 0.474 N 1.315 37 residues pruned to eliminate duplicates Z: 14 17.288 1.966 0.784 0.867 1.000 0.462 CB 1.000 14 residues pruned to eliminate duplicates Z: 8 10.600 1.628 0.568 0.871 1.000 1.000 CA 1.145 8 residues pruned to eliminate duplicates Z: 17 26.479 1.917 0.632 0.925 1.000 0.875 CB 1.484 17 residues pruned to eliminate duplicates 6 1.401 1.685 0.354 0.586 0.600 0.600 CB 0.422 ? Z: 11 6.673 1.738 0.161 0.333 1.000 0.400 CB 1.255 Z: 13 11.461 1.655 0.375 0.927 1.000 1.000 CB 1.019 14 residues pruned to eliminate duplicates Z: 12 5.823 1.575 0.568 0.355 1.000 0.455 CB 0.831 12 residues pruned to eliminate duplicates Z: 11 14.246 1.750 0.671 0.701 0.900 0.600 O 1.426 10 residues pruned to eliminate duplicates Z: 50 18.555 1.845 0.593 0.379 0.878 0.612 CB 1.169 53 residues pruned to eliminate duplicates Z: 14 14.713 1.756 0.519 0.847 0.923 0.615 CB 1.231 14 residues pruned to eliminate duplicates Z: 18 11.086 1.744 0.652 0.406 0.882 0.529 CB 1.168 18 residues pruned to eliminate duplicates Z: 9 4.654 1.720 0.423 0.291 0.625 0.375 O 1.359 9 residues pruned to eliminate duplicates Z: 9 3.374 1.594 0.290 0.182 0.875 0.750 CB 0.972 9 residues pruned to eliminate duplicates Z: 13 18.086 1.912 0.544 0.934 1.000 0.917 CB 1.233 13 residues pruned to eliminate duplicates Z: 13 12.331 1.717 0.267 0.684 1.000 0.667 O 1.382 13 residues pruned to eliminate duplicates Z: 20 20.551 1.769 0.701 0.783 0.947 0.684 CA 1.289 20 residues pruned to eliminate duplicates Z: 9 5.796 1.798 -0.097 0.790 1.000 0.750 CB 0.978 Z: 19 21.291 1.978 0.537 0.729 0.944 0.778 CB 1.422 19 residues pruned to eliminate duplicates Z: 6 3.708 1.686 0.136 0.720 0.800 0.600 CB 0.887 6 residues pruned to eliminate duplicates Z: 15 11.069 1.630 0.329 0.838 1.000 0.929 CB 1.020 13 residues pruned to eliminate duplicates Z: 6 2.584 1.486 0.383 0.514 0.600 0.600 CB 0.924 Z: 6 4.983 1.548 0.272 0.571 1.000 0.600 CB 1.057 Z: 19 16.654 1.779 0.616 0.832 0.833 0.667 CB 1.230 19 residues pruned to eliminate duplicates Z: 36 21.568 1.822 0.669 0.591 0.943 0.629 CB 1.166 36 residues pruned to eliminate duplicates Z: 24 13.601 1.963 0.641 0.369 0.739 0.435 CA 1.370 24 residues pruned to eliminate duplicates Z: 8 5.890 1.569 0.647 0.340 0.857 0.571 CB 1.197 Z: 24 24.905 1.851 0.990 0.641 0.870 0.696 CB 1.421 24 residues pruned to eliminate duplicates Z: 6 2.161 1.253 0.662 0.786 1.000 0.600 CB 0.361 Z: 11 3.474 1.529 0.635 0.423 0.700 0.300 CB 0.680 10 1.900 1.463 0.122 0.247 0.556 0.333 N 0.929 ? Z: 6 3.797 1.391 0.507 0.718 1.000 0.600 CA 0.665 6 residues pruned to eliminate duplicates Z: 31 18.133 1.894 0.336 0.669 0.967 0.767 CB 1.158 31 residues pruned to eliminate duplicates Z: 13 8.674 1.673 0.666 0.507 0.833 0.583 CB 1.071 13 residues pruned to eliminate duplicates Z: 19 17.190 1.697 0.496 0.843 0.944 0.833 CA 1.258 19 residues pruned to eliminate duplicates Z: 15 11.306 1.750 0.465 0.437 0.929 0.429 CB 1.355 12 residues pruned to eliminate duplicates 6 1.144 1.430 0.164 0.325 0.400 0.400 CB 0.931 ? Z: 10 13.312 1.429 0.859 0.884 1.000 0.889 N 1.207 10 residues pruned to eliminate duplicates Z: 22 10.844 1.852 0.573 0.328 0.905 0.476 CB 1.084 22 residues pruned to eliminate duplicates Z: 8 3.902 1.681 0.763 0.480 0.714 0.571 CB 0.711 Z: 15 24.801 1.906 0.603 0.914 1.000 0.929 CB 1.534 15 residues pruned to eliminate duplicates Z: 17 11.941 1.751 0.438 0.546 0.875 0.438 N 1.295 17 residues pruned to eliminate duplicates Z: 22 23.660 1.829 0.738 0.853 0.905 0.571 CB 1.326 24 residues pruned to eliminate duplicates Z: 8 3.266 1.375 0.405 0.326 0.714 0.286 CA 1.083 Z: 10 4.703 1.766 -0.105 0.519 0.889 0.556 CB 1.095 Z: 9 4.086 1.445 0.205 0.343 0.875 0.750 CB 1.125 8 residues pruned to eliminate duplicates Z: 13 11.477 1.864 0.512 0.610 0.917 0.667 CB 1.155 13 residues pruned to eliminate duplicates Z: 6 7.597 1.737 0.462 0.748 1.000 0.800 CB 1.072 6 residues pruned to eliminate duplicates Z: 6 4.441 1.383 0.436 0.455 1.000 0.600 C 1.047 6 residues pruned to eliminate duplicates Z: 18 15.133 1.749 0.785 0.551 0.882 0.588 CA 1.268 18 residues pruned to eliminate duplicates Z: 13 8.874 1.749 0.651 0.332 0.833 0.333 CB 1.280 Z: 15 21.541 1.900 0.600 0.910 1.000 0.786 CB 1.343 15 residues pruned to eliminate duplicates Z: 10 12.847 1.833 0.473 0.872 1.000 0.889 CB 1.155 10 residues pruned to eliminate duplicates Z: 10 12.956 1.810 0.223 0.902 1.000 0.889 CA 1.392 10 residues pruned to eliminate duplicates Z: 7 13.724 1.830 0.918 0.845 1.000 0.500 N 1.186 7 residues pruned to eliminate duplicates Z: 6 2.444 1.414 0.209 0.827 1.000 1.000 CA 0.482 6 residues pruned to eliminate duplicates Z: 9 6.443 1.794 0.051 0.754 1.000 0.875 CB 0.964 9 residues pruned to eliminate duplicates Z: 11 6.024 1.903 0.071 0.676 1.000 0.700 CB 0.794 11 residues pruned to eliminate duplicates Z: 6 4.659 1.541 0.012 0.780 1.000 0.600 CB 1.044 Z: 11 7.857 1.629 0.467 0.590 1.000 0.800 CB 0.954 Z: 6 2.947 1.427 0.459 0.422 0.600 0.600 CA 1.144 6 residues pruned to eliminate duplicates Z: 17 18.129 1.892 0.698 0.868 1.000 0.938 CB 1.031 17 residues pruned to eliminate duplicates Z: 9 14.826 1.805 0.535 0.667 1.000 0.875 N 1.622 9 residues pruned to eliminate duplicates Z: 19 21.501 1.809 0.629 0.829 1.000 0.667 CB 1.294 19 residues pruned to eliminate duplicates Z: 11 8.367 1.811 0.503 0.416 0.900 0.700 CA 1.179 11 residues pruned to eliminate duplicates Z: 8 3.921 1.304 0.830 0.553 0.857 0.714 N 0.688 Z: 16 7.872 1.721 0.402 0.570 0.800 0.600 CB 0.983 20 residues pruned to eliminate duplicates Z: 16 25.399 2.014 0.594 0.867 1.000 0.800 CB 1.494 16 residues pruned to eliminate duplicates Z: 24 15.048 1.774 0.564 0.483 0.913 0.609 CB 1.259 24 residues pruned to eliminate duplicates Z: 13 3.240 1.484 0.123 0.247 0.750 0.417 CB 1.002 13 residues pruned to eliminate duplicates Z: 35 17.453 1.935 0.564 0.281 0.882 0.618 CB 1.436 35 residues pruned to eliminate duplicates Z: 21 18.136 1.849 0.591 0.604 0.900 0.750 CB 1.388 21 residues pruned to eliminate duplicates Z: 10 5.555 1.573 0.036 0.541 0.889 0.556 O 1.228 Z: 13 12.904 1.940 0.553 0.389 1.000 0.833 CB 1.392 17 residues pruned to eliminate duplicates Z: 18 7.868 1.682 0.433 0.283 0.882 0.471 CB 1.145 18 residues pruned to eliminate duplicates Z: 19 6.219 1.728 0.028 0.419 0.833 0.333 CB 1.077 Z: 6 4.169 1.305 0.511 0.621 0.800 0.400 CB 1.055 5 residues pruned to eliminate duplicates Z: 14 21.321 1.881 0.981 0.925 1.000 0.846 CB 1.113 14 residues pruned to eliminate duplicates Z: 6 6.256 1.499 0.539 0.691 1.000 0.800 N 1.019 8 residues pruned to eliminate duplicates 6 1.371 0.962 0.622 0.353 0.800 0.600 CB 0.576 ? Z: 6 4.767 1.888 0.318 0.350 0.800 0.800 CA 1.260 8 residues pruned to eliminate duplicates Z: 6 2.286 1.383 0.019 0.784 1.000 0.600 CB 0.565 Z: 14 6.518 1.489 0.789 0.330 0.692 0.308 CB 1.181 6 residues pruned to eliminate duplicates Z: 7 3.406 1.624 0.533 0.389 0.500 0.500 N 1.256 6 residues pruned to eliminate duplicates Z: 8 3.625 1.457 0.204 0.465 0.714 0.571 CB 1.134 Z: 14 23.546 1.827 0.720 0.925 1.000 0.846 CA 1.459 15 residues pruned to eliminate duplicates Z: 24 8.549 1.645 0.504 0.366 0.870 0.609 CB 0.957 24 residues pruned to eliminate duplicates Z: 10 6.433 1.658 0.278 0.487 0.889 0.556 CB 1.153 14 residues pruned to eliminate duplicates Z: 10 7.907 1.667 0.267 0.650 0.889 0.667 N 1.220 10 residues pruned to eliminate duplicates Z: 28 16.598 1.806 0.442 0.580 0.926 0.704 CB 1.227 28 residues pruned to eliminate duplicates Z: 21 17.609 1.870 0.473 0.550 0.950 0.500 CB 1.433 21 residues pruned to eliminate duplicates Z: 7 3.760 1.517 0.711 0.568 0.667 0.500 CB 0.831 7 residues pruned to eliminate duplicates Z: 13 4.183 1.578 0.235 0.420 0.667 0.583 CB 1.010 13 residues pruned to eliminate duplicates Z: 7 7.682 1.650 0.662 0.704 0.833 0.833 CB 1.140 Z: 15 23.636 1.899 1.069 0.861 0.929 0.429 CB 1.272 15 residues pruned to eliminate duplicates Z: 11 10.317 1.615 0.409 0.822 0.900 0.500 CB 1.205 11 residues pruned to eliminate duplicates Z: 12 8.031 1.805 0.391 0.329 0.818 0.636 CB 1.422 12 residues pruned to eliminate duplicates Z: 15 26.446 1.845 0.858 0.928 1.000 0.500 CB 1.444 15 residues pruned to eliminate duplicates Z: 12 10.957 1.946 0.111 0.562 1.000 0.909 CA 1.439 12 residues pruned to eliminate duplicates Z: 12 20.506 1.881 1.005 0.685 0.909 0.818 CB 1.522 12 residues pruned to eliminate duplicates Z: 6 2.155 1.608 0.033 0.585 1.000 0.400 CB 0.535 Z: 7 3.865 1.264 0.586 0.614 0.833 0.500 N 0.848 Z: 13 7.346 1.785 0.251 0.294 1.000 0.500 CB 1.197 13 residues pruned to eliminate duplicates Z: 13 19.291 1.892 0.745 0.850 0.917 0.667 CB 1.363 13 residues pruned to eliminate duplicates Z: 13 11.912 1.636 0.659 0.902 0.917 0.750 CB 0.986 13 residues pruned to eliminate duplicates Z: 25 25.511 1.929 0.583 0.745 0.958 0.708 CA 1.430 23 residues pruned to eliminate duplicates Z: 9 4.342 1.642 0.198 0.332 0.750 0.500 CB 1.252 9 residues pruned to eliminate duplicates Z: 18 15.514 1.915 0.719 0.381 0.941 0.706 CB 1.379 18 residues pruned to eliminate duplicates Z: 9 3.449 1.572 0.088 0.553 0.875 0.500 CB 0.774 6 residues pruned to eliminate duplicates Z: 7 4.127 1.531 0.059 0.413 1.000 0.500 CA 1.138 Z: 14 8.005 1.564 -0.018 0.912 1.000 0.769 CB 1.024 14 residues pruned to eliminate duplicates Z: 31 26.229 1.806 0.576 0.675 1.000 0.700 CB 1.431 35 residues pruned to eliminate duplicates Z: 11 6.278 1.897 0.147 0.343 0.900 0.600 CB 1.202 11 residues pruned to eliminate duplicates Z: 9 13.047 1.684 0.472 0.894 1.000 0.875 CB 1.335 9 residues pruned to eliminate duplicates Z: 19 31.864 2.014 0.775 0.939 1.000 1.000 CB 1.460 19 residues pruned to eliminate duplicates Z: 14 5.232 1.754 0.106 0.503 0.923 0.538 CB 0.808 10 residues pruned to eliminate duplicates Z: 13 15.839 1.939 0.357 0.929 1.000 0.917 CB 1.216 13 residues pruned to eliminate duplicates Z: 38 27.058 2.089 0.672 0.349 0.919 0.541 CB 1.633 38 residues pruned to eliminate duplicates Z: 8 4.611 1.662 0.257 0.492 0.857 0.571 CB 0.981 Z: 6 3.753 1.746 -0.182 0.795 1.000 0.800 CB 0.907 Z: 18 23.404 1.951 0.856 0.880 1.000 0.765 CB 1.136 18 residues pruned to eliminate duplicates Z: 20 21.724 1.797 0.790 0.821 0.895 0.632 CB 1.311 20 residues pruned to eliminate duplicates Z: 7 3.824 1.588 0.507 0.412 0.833 0.667 CB 0.858 Z: 18 17.307 1.775 0.877 0.879 0.882 0.471 CB 1.035 18 residues pruned to eliminate duplicates Z: 19 20.541 1.946 0.643 0.784 0.944 0.722 CA 1.248 19 residues pruned to eliminate duplicates Z: 7 4.947 1.393 0.491 0.880 1.000 0.333 CB 0.705 6 residues pruned to eliminate duplicates Z: 6 5.827 1.866 0.290 0.595 0.800 0.400 CB 1.236 6 residues pruned to eliminate duplicates Z: 6 3.733 1.396 0.232 0.791 1.000 1.000 CA 0.752 6 residues pruned to eliminate duplicates Z: 6 3.077 1.391 0.144 0.633 0.800 0.800 CA 0.955 Z: 8 5.896 1.400 1.043 0.519 0.714 0.571 O 1.070 6 1.713 1.525 0.092 0.290 0.800 0.400 N 0.727 ? Z: 7 2.145 1.344 0.247 0.230 0.833 0.667 CB 0.859 Z: 6 4.121 1.337 0.318 0.744 0.800 0.600 C 1.051 Z: 14 12.449 1.737 0.657 0.428 0.846 0.692 O 1.528 14 residues pruned to eliminate duplicates Z: 14 12.994 1.749 0.511 0.811 0.769 0.615 N 1.352 14 residues pruned to eliminate duplicates Z: 11 5.395 1.611 0.246 0.399 0.900 0.600 CB 1.050 11 residues pruned to eliminate duplicates Z: 18 21.449 1.955 0.696 0.868 1.000 0.824 CB 1.147 18 residues pruned to eliminate duplicates Z: 11 12.154 1.939 0.354 0.845 0.800 0.600 CB 1.361 11 residues pruned to eliminate duplicates Z: 6 3.156 1.317 0.530 0.478 1.000 1.000 CB 0.716 4 residues pruned to eliminate duplicates Z: 9 14.241 1.640 0.784 0.901 1.000 0.875 CA 1.228 9 residues pruned to eliminate duplicates Z: 11 8.461 1.716 0.371 0.710 0.900 0.800 CA 1.044 11 residues pruned to eliminate duplicates Z: 9 8.407 1.620 0.389 0.838 0.875 0.750 CA 1.128 9 residues pruned to eliminate duplicates Z: 6 2.020 1.388 0.405 0.366 0.600 0.400 CB 0.892 Z: 30 12.345 1.836 0.586 0.280 0.828 0.379 CB 1.219 30 residues pruned to eliminate duplicates Z: 7 4.464 1.547 0.370 0.616 1.000 0.833 CA 0.771 15 residues pruned to eliminate duplicates Z: 10 11.512 1.666 0.636 0.855 1.000 0.889 N 1.038 Z: 17 14.302 1.854 0.843 0.356 0.875 0.500 CB 1.397 17 residues pruned to eliminate duplicates Z: 18 12.324 1.752 0.363 0.654 0.941 0.765 CB 1.152 Z: 8 3.834 1.548 0.535 0.432 0.714 0.571 CB 0.916 Z: 9 8.062 1.838 0.552 0.453 0.750 0.375 N 1.399 8 residues pruned to eliminate duplicates Z: 10 9.850 1.673 0.606 0.797 1.000 0.778 CB 0.942 10 residues pruned to eliminate duplicates Z: 8 6.557 1.629 0.427 0.692 0.857 0.714 N 1.043 8 residues pruned to eliminate duplicates Z: 8 7.282 1.471 0.557 0.819 1.000 0.857 CB 0.911 8 residues pruned to eliminate duplicates Z: 9 3.117 1.590 0.048 0.152 0.875 0.500 CA 1.160 6 1.764 1.429 -0.005 0.298 0.800 0.800 CB 0.868 ? Z: 21 18.305 1.903 0.687 0.616 0.950 0.750 CB 1.202 21 residues pruned to eliminate duplicates 6 1.403 1.626 0.078 0.338 0.800 0.600 CB 0.534 ? Z: 6 2.674 1.155 0.545 0.416 0.800 0.400 O 0.914 Using tripeptides from previous cycle as seeds Z: 10 6.703 1.718 0.217 0.501 0.889 0.333 CB 1.200 10 residues pruned to eliminate duplicates Z: 8 3.466 1.798 0.056 0.425 0.857 0.714 CB 0.870 8 residues pruned to eliminate duplicates Z: 10 6.151 1.749 0.141 0.433 0.889 0.667 CB 1.240 10 residues pruned to eliminate duplicates Z: 8 4.579 1.827 0.288 0.445 0.857 0.714 CB 0.908 8 residues pruned to eliminate duplicates Z: 7 7.890 1.861 0.485 0.481 1.000 0.833 CB 1.189 7 residues pruned to eliminate duplicates Z: 9 7.607 1.768 0.263 0.481 1.000 0.750 CB 1.228 9 residues pruned to eliminate duplicates Z: 8 5.287 1.795 0.160 0.377 0.857 0.714 CB 1.276 8 residues pruned to eliminate duplicates Z: 9 4.961 1.753 0.337 0.377 0.750 0.500 CB 1.138 9 residues pruned to eliminate duplicates Z: 14 7.031 1.640 0.248 0.486 0.846 0.538 CB 1.141 14 residues pruned to eliminate duplicates Z: 6 5.714 1.586 0.806 0.274 1.000 0.400 CA 1.151 Z: 6 3.226 1.551 0.296 0.240 0.800 0.800 CA 1.214 6 residues pruned to eliminate duplicates Z: 8 3.664 1.489 0.397 0.289 0.857 0.286 CB 0.984 8 residues pruned to eliminate duplicates Z: 14 21.817 1.941 0.773 0.797 0.923 0.769 CA 1.469 14 residues pruned to eliminate duplicates Z: 15 23.572 1.922 0.755 0.862 0.929 0.714 CB 1.476 15 residues pruned to eliminate duplicates Z: 16 14.147 1.785 0.518 0.706 0.867 0.533 CA 1.289 16 residues pruned to eliminate duplicates Z: 38 28.844 1.866 0.587 0.683 0.973 0.595 CB 1.392 38 residues pruned to eliminate duplicates Z: 15 19.971 1.862 0.701 0.748 0.929 0.500 CB 1.454 15 residues pruned to eliminate duplicates Z: 15 20.118 1.859 0.708 0.726 0.929 0.500 CB 1.488 15 residues pruned to eliminate duplicates Z: 15 18.295 1.898 0.623 0.733 0.857 0.786 CA 1.501 15 residues pruned to eliminate duplicates Z: 14 21.194 1.926 0.631 0.793 1.000 0.538 CA 1.447 14 residues pruned to eliminate duplicates Z: 14 21.585 1.928 0.670 0.793 0.923 0.692 CA 1.558 14 residues pruned to eliminate duplicates Z: 14 19.457 1.917 0.603 0.785 0.923 0.769 CA 1.481 14 residues pruned to eliminate duplicates Z: 16 21.276 1.829 0.588 0.818 1.000 0.733 CA 1.435 16 residues pruned to eliminate duplicates Z: 29 22.771 1.888 0.585 0.666 0.893 0.679 CB 1.381 29 residues pruned to eliminate duplicates Z: 37 31.933 1.911 0.678 0.728 0.944 0.750 CB 1.431 37 residues pruned to eliminate duplicates Z: 30 30.564 1.944 0.635 0.739 0.966 0.690 CB 1.493 30 residues pruned to eliminate duplicates Z: 37 30.433 1.897 0.589 0.707 0.972 0.583 CB 1.434 37 residues pruned to eliminate duplicates Z: 14 21.322 2.037 0.658 0.646 1.000 0.769 N 1.529 14 residues pruned to eliminate duplicates Z: 22 18.551 1.868 0.786 0.531 0.810 0.571 CB 1.454 22 residues pruned to eliminate duplicates Z: 38 34.373 1.889 0.850 0.697 0.973 0.568 CB 1.389 38 residues pruned to eliminate duplicates Z: 12 23.310 2.111 0.637 0.789 1.000 0.818 N 1.578 12 residues pruned to eliminate duplicates Z: 26 18.353 1.848 0.639 0.572 0.920 0.760 CB 1.229 26 residues pruned to eliminate duplicates Z: 17 13.366 1.934 0.604 0.542 0.750 0.688 CB 1.378 17 residues pruned to eliminate duplicates Z: 23 15.873 1.875 0.337 0.607 1.000 0.636 CB 1.220 23 residues pruned to eliminate duplicates Z: 16 19.970 1.978 0.677 0.681 0.933 0.867 CB 1.410 16 residues pruned to eliminate duplicates Z: 37 34.348 1.931 0.811 0.697 0.944 0.694 CB 1.448 37 residues pruned to eliminate duplicates Z: 35 26.560 1.885 0.688 0.657 0.882 0.500 CB 1.401 35 residues pruned to eliminate duplicates Z: 35 22.272 1.818 0.656 0.526 0.912 0.471 CB 1.357 35 residues pruned to eliminate duplicates Z: 14 12.580 1.770 0.765 0.520 0.846 0.692 N 1.295 14 residues pruned to eliminate duplicates Z: 16 11.528 1.756 0.601 0.512 0.867 0.533 N 1.208 16 residues pruned to eliminate duplicates Z: 17 9.596 1.605 0.694 0.375 0.812 0.438 CB 1.241 17 residues pruned to eliminate duplicates Z: 38 20.416 1.837 0.574 0.558 0.892 0.486 CB 1.230 38 residues pruned to eliminate duplicates Z: 38 16.528 1.812 0.508 0.512 0.865 0.595 CB 1.137 38 residues pruned to eliminate duplicates Z: 11 9.357 1.701 0.725 0.475 0.800 0.500 CB 1.293 11 residues pruned to eliminate duplicates Z: 23 18.426 1.888 0.739 0.561 0.864 0.591 CB 1.306 23 residues pruned to eliminate duplicates Z: 45 25.250 1.926 0.582 0.580 0.955 0.682 CB 1.212 45 residues pruned to eliminate duplicates Z: 17 10.454 1.670 0.610 0.483 0.875 0.625 CB 1.131 17 residues pruned to eliminate duplicates Z: 44 27.157 1.906 0.565 0.619 0.907 0.674 CB 1.368 44 residues pruned to eliminate duplicates Z: 16 8.107 1.670 0.657 0.294 0.733 0.333 CB 1.300 16 residues pruned to eliminate duplicates Z: 40 19.445 1.787 0.564 0.520 0.923 0.615 CB 1.184 40 residues pruned to eliminate duplicates Z: 38 17.926 1.803 0.562 0.548 0.919 0.595 CB 1.086 38 residues pruned to eliminate duplicates Z: 24 11.000 1.831 0.377 0.468 0.826 0.391 CB 1.137 24 residues pruned to eliminate duplicates Z: 39 17.942 1.819 0.523 0.532 0.921 0.526 CB 1.105 39 residues pruned to eliminate duplicates Z: 23 13.444 1.904 0.481 0.484 0.909 0.545 CB 1.136 23 residues pruned to eliminate duplicates Z: 17 17.734 1.906 0.738 0.622 1.000 0.625 CB 1.193 17 residues pruned to eliminate duplicates Z: 26 19.048 1.813 0.700 0.570 0.920 0.560 CB 1.255 26 residues pruned to eliminate duplicates Z: 24 20.558 1.907 0.723 0.590 0.957 0.609 CB 1.251 31 residues pruned to eliminate duplicates 6 1.874 1.112 0.870 0.283 0.800 0.400 CA 0.643 ? Z: 6 5.733 1.634 1.260 0.296 0.800 0.600 CA 1.090 6 residues pruned to eliminate duplicates Z: 25 14.640 1.839 0.587 0.566 0.833 0.542 CB 1.153 25 residues pruned to eliminate duplicates Z: 16 19.094 1.938 0.657 0.667 1.000 0.667 CB 1.316 16 residues pruned to eliminate duplicates Z: 16 13.231 1.882 0.615 0.533 0.867 0.467 CB 1.256 14 residues pruned to eliminate duplicates Z: 16 14.077 1.955 0.554 0.589 0.933 0.600 CB 1.177 15 residues pruned to eliminate duplicates Z: 15 15.205 1.940 0.487 0.556 0.929 0.643 CB 1.437 15 residues pruned to eliminate duplicates Z: 10 5.619 1.764 0.716 0.313 0.889 0.444 CB 0.856 7 residues pruned to eliminate duplicates Z: 10 12.887 1.707 0.529 0.854 1.000 0.889 CB 1.215 10 residues pruned to eliminate duplicates Z: 10 12.055 1.838 0.606 0.668 0.889 0.444 CB 1.312 10 residues pruned to eliminate duplicates Z: 11 11.565 1.849 0.413 0.654 1.000 0.600 CB 1.212 11 residues pruned to eliminate duplicates Z: 10 12.672 1.831 0.471 0.706 1.000 0.667 CB 1.300 10 residues pruned to eliminate duplicates Z: 10 10.313 1.850 0.362 0.641 0.889 0.556 CB 1.345 11 residues pruned to eliminate duplicates Z: 9 12.430 1.894 0.320 0.841 1.000 0.750 CB 1.311 9 residues pruned to eliminate duplicates Z: 14 14.684 1.835 0.745 0.568 0.923 0.615 CB 1.290 12 residues pruned to eliminate duplicates Z: 12 10.879 1.811 0.338 0.658 1.000 0.455 CB 1.169 12 residues pruned to eliminate duplicates Z: 14 15.058 1.855 0.552 0.614 1.000 0.615 CB 1.302 21 residues pruned to eliminate duplicates 6 1.805 1.170 0.164 0.389 0.800 0.200 CB 0.834 ? Z: 19 19.595 1.877 0.482 0.805 1.000 0.667 CB 1.272 19 residues pruned to eliminate duplicates Z: 22 23.103 1.951 0.675 0.820 0.952 0.810 CA 1.227 22 residues pruned to eliminate duplicates Z: 30 21.116 1.979 0.410 0.586 0.931 0.793 CA 1.390 30 residues pruned to eliminate duplicates Z: 16 15.906 1.944 0.487 0.647 0.933 0.533 CB 1.327 16 residues pruned to eliminate duplicates Z: 32 26.734 1.924 0.697 0.589 0.935 0.677 CB 1.444 32 residues pruned to eliminate duplicates Z: 29 24.509 2.004 0.585 0.597 0.929 0.714 CB 1.431 29 residues pruned to eliminate duplicates Z: 33 29.982 1.953 0.595 0.662 1.000 0.688 CB 1.464 33 residues pruned to eliminate duplicates Z: 29 29.426 1.972 0.814 0.623 0.929 0.750 CB 1.491 29 residues pruned to eliminate duplicates Z: 28 29.956 2.019 0.745 0.632 0.963 0.741 CB 1.500 28 residues pruned to eliminate duplicates Z: 27 32.816 2.050 0.901 0.648 0.962 0.654 CB 1.496 27 residues pruned to eliminate duplicates Z: 28 29.768 2.028 0.802 0.636 0.963 0.593 CB 1.434 28 residues pruned to eliminate duplicates Z: 26 33.120 2.071 0.848 0.698 0.960 0.800 CB 1.506 26 residues pruned to eliminate duplicates Z: 31 29.378 1.969 0.799 0.589 0.933 0.567 CB 1.490 31 residues pruned to eliminate duplicates Z: 28 29.708 2.023 0.784 0.638 0.963 0.667 CB 1.446 28 residues pruned to eliminate duplicates Z: 29 30.851 1.970 0.898 0.612 0.929 0.714 CB 1.511 29 residues pruned to eliminate duplicates Z: 27 32.535 2.038 0.908 0.661 0.962 0.692 CB 1.471 27 residues pruned to eliminate duplicates Z: 26 24.011 1.971 0.745 0.563 0.960 0.720 CA 1.368 26 residues pruned to eliminate duplicates Z: 29 30.367 2.018 0.822 0.621 0.929 0.643 CB 1.499 29 residues pruned to eliminate duplicates Z: 37 24.946 1.915 0.671 0.554 0.889 0.528 CB 1.387 37 residues pruned to eliminate duplicates Z: 31 27.458 1.957 0.735 0.605 1.000 0.567 CB 1.337 31 residues pruned to eliminate duplicates Z: 34 28.264 1.926 0.831 0.584 0.939 0.697 CB 1.370 34 residues pruned to eliminate duplicates Z: 27 33.068 2.034 0.944 0.668 0.962 0.654 CB 1.460 27 residues pruned to eliminate duplicates Z: 27 29.429 2.018 0.859 0.650 0.962 0.654 CB 1.391 27 residues pruned to eliminate duplicates Z: 26 35.007 2.060 0.836 0.672 1.000 0.720 CA 1.580 26 residues pruned to eliminate duplicates Z: 38 27.101 1.945 0.756 0.572 0.865 0.541 CB 1.407 38 residues pruned to eliminate duplicates Z: 21 12.916 1.786 0.373 0.497 0.850 0.600 N 1.390 21 residues pruned to eliminate duplicates Z: 37 29.354 1.958 0.656 0.615 0.917 0.444 CB 1.476 37 residues pruned to eliminate duplicates Z: 18 24.571 1.950 0.780 0.678 0.941 0.706 CA 1.548 21 residues pruned to eliminate duplicates Z: 7 2.532 1.385 0.338 0.332 1.000 0.500 CB 0.670 7 residues pruned to eliminate duplicates Z: 24 24.609 1.964 0.865 0.537 0.870 0.522 CA 1.555 24 residues pruned to eliminate duplicates Z: 29 23.841 1.891 0.632 0.572 0.893 0.536 N 1.526 29 residues pruned to eliminate duplicates Z: 38 26.980 1.952 0.742 0.607 0.865 0.649 CB 1.362 38 residues pruned to eliminate duplicates Z: 9 12.811 1.965 0.729 0.634 0.875 0.625 CA 1.343 9 residues pruned to eliminate duplicates Z: 13 11.150 1.830 0.426 0.442 0.917 0.583 CA 1.428 13 residues pruned to eliminate duplicates Z: 26 25.616 1.893 0.822 0.522 0.920 0.600 CB 1.581 26 residues pruned to eliminate duplicates Z: 19 16.710 1.905 0.754 0.496 0.833 0.667 CB 1.421 19 residues pruned to eliminate duplicates Z: 67 39.133 1.949 0.747 0.590 0.924 0.621 CB 1.404 99 residues pruned to eliminate duplicates Z: 6 3.983 1.593 1.126 0.258 0.600 0.200 CA 1.157 6 residues pruned to eliminate duplicates Z: 13 14.248 1.953 0.598 0.442 0.917 0.500 N 1.526 13 residues pruned to eliminate duplicates Z: 23 24.925 1.985 0.703 0.622 0.955 0.682 CB 1.468 23 residues pruned to eliminate duplicates Z: 29 22.897 1.940 0.632 0.574 0.821 0.571 CB 1.549 29 residues pruned to eliminate duplicates Z: 26 23.176 1.905 0.670 0.586 0.920 0.520 CB 1.459 26 residues pruned to eliminate duplicates Z: 22 16.353 1.956 0.550 0.506 0.857 0.571 CB 1.366 22 residues pruned to eliminate duplicates Z: 32 23.278 1.965 0.638 0.593 0.871 0.548 CB 1.364 32 residues pruned to eliminate duplicates Z: 39 24.515 1.901 0.577 0.630 0.921 0.684 CB 1.274 39 residues pruned to eliminate duplicates Z: 11 16.407 1.952 0.588 0.701 1.000 0.700 CB 1.393 11 residues pruned to eliminate duplicates Z: 38 26.657 1.958 0.658 0.669 0.919 0.703 CB 1.257 38 residues pruned to eliminate duplicates Z: 10 9.907 1.909 0.646 0.676 0.889 0.556 CB 1.006 10 residues pruned to eliminate duplicates Z: 9 11.458 1.945 0.772 0.698 1.000 0.750 CB 0.981 9 residues pruned to eliminate duplicates Z: 9 13.376 1.968 0.673 0.723 1.000 0.750 CB 1.174 9 residues pruned to eliminate duplicates Z: 21 20.394 1.987 0.713 0.657 0.900 0.550 CB 1.287 21 residues pruned to eliminate duplicates Z: 9 14.557 1.991 0.686 0.774 1.000 0.875 CB 1.204 9 residues pruned to eliminate duplicates Z: 22 18.847 1.958 0.666 0.660 0.857 0.667 CB 1.268 21 residues pruned to eliminate duplicates Z: 13 17.588 2.009 0.519 0.924 1.000 0.917 CB 1.169 13 residues pruned to eliminate duplicates Z: 14 19.743 1.986 0.542 0.898 1.000 0.769 CB 1.279 14 residues pruned to eliminate duplicates Z: 14 17.384 1.982 0.557 0.882 0.923 0.846 CB 1.225 14 residues pruned to eliminate duplicates Z: 14 20.695 1.992 0.572 0.908 1.000 0.846 CB 1.302 14 residues pruned to eliminate duplicates Z: 14 20.854 1.964 0.610 0.930 1.000 0.692 CB 1.278 14 residues pruned to eliminate duplicates Z: 12 18.029 2.024 0.618 0.893 0.909 0.818 CB 1.311 12 residues pruned to eliminate duplicates Z: 14 22.505 1.951 0.802 0.928 1.000 0.846 CB 1.243 14 residues pruned to eliminate duplicates Z: 14 24.248 1.978 0.944 0.879 1.000 0.846 CB 1.268 14 residues pruned to eliminate duplicates Z: 13 25.127 1.976 1.104 0.913 1.000 0.833 CB 1.235 13 residues pruned to eliminate duplicates Z: 14 24.539 1.949 0.965 0.940 1.000 0.846 CB 1.234 14 residues pruned to eliminate duplicates Z: 14 26.453 1.934 1.049 0.935 1.000 0.769 CB 1.290 14 residues pruned to eliminate duplicates Z: 14 23.537 1.982 0.852 0.882 1.000 0.923 CB 1.286 14 residues pruned to eliminate duplicates Z: 15 22.099 1.872 0.794 0.929 1.000 0.643 CB 1.230 15 residues pruned to eliminate duplicates Z: 23 17.052 1.702 0.554 0.575 0.955 0.545 CB 1.340 16 residues pruned to eliminate duplicates Z: 11 14.337 1.768 0.581 0.673 1.000 0.600 CB 1.384 11 residues pruned to eliminate duplicates Z: 15 8.070 1.766 0.618 0.461 0.643 0.357 CB 1.222 15 residues pruned to eliminate duplicates Z: 11 8.337 1.888 0.398 0.290 0.800 0.300 CB 1.580 11 residues pruned to eliminate duplicates Z: 16 10.817 1.830 0.727 0.417 0.800 0.400 CB 1.205 16 residues pruned to eliminate duplicates Z: 24 11.592 1.734 0.422 0.428 0.826 0.522 CB 1.279 24 residues pruned to eliminate duplicates Z: 21 14.130 1.790 0.545 0.552 0.850 0.650 CB 1.277 21 residues pruned to eliminate duplicates Z: 10 14.405 1.851 0.815 0.725 0.889 0.667 CB 1.313 10 residues pruned to eliminate duplicates Z: 18 13.183 1.784 0.597 0.572 0.882 0.647 CB 1.187 18 residues pruned to eliminate duplicates Z: 15 7.309 1.626 0.586 0.288 0.857 0.357 N 1.121 10 residues pruned to eliminate duplicates Z: 15 25.751 1.876 0.673 0.934 1.000 0.786 N 1.529 15 residues pruned to eliminate duplicates Z: 10 12.284 1.743 0.577 0.521 1.000 0.444 CA 1.458 9 residues pruned to eliminate duplicates Z: 15 24.100 1.868 0.708 0.926 0.929 0.929 CA 1.525 15 residues pruned to eliminate duplicates Z: 9 13.869 1.751 0.866 0.539 1.000 0.375 CB 1.444 9 residues pruned to eliminate duplicates Z: 16 22.579 1.779 0.944 0.834 0.867 0.467 CB 1.458 16 residues pruned to eliminate duplicates Z: 15 25.255 1.874 0.697 0.890 1.000 0.643 N 1.527 15 residues pruned to eliminate duplicates Z: 14 15.279 1.644 0.855 0.632 1.000 0.692 CA 1.228 14 residues pruned to eliminate duplicates Z: 16 23.361 1.792 0.767 0.850 0.933 0.667 CA 1.512 17 residues pruned to eliminate duplicates Z: 14 26.763 1.852 0.960 0.880 1.000 0.846 N 1.482 14 residues pruned to eliminate duplicates Z: 15 25.824 1.833 0.947 0.903 0.929 0.357 CA 1.484 15 residues pruned to eliminate duplicates Z: 19 22.335 1.770 0.738 0.717 0.944 0.667 CB 1.489 19 residues pruned to eliminate duplicates Z: 15 28.536 1.863 1.020 0.924 0.929 0.786 CB 1.533 15 residues pruned to eliminate duplicates Z: 15 21.732 1.829 0.761 0.913 0.929 0.643 CB 1.374 15 residues pruned to eliminate duplicates Z: 16 21.763 1.754 0.779 0.874 0.933 0.733 CA 1.404 16 residues pruned to eliminate duplicates Z: 15 8.491 1.826 0.293 0.417 0.929 0.643 CB 1.129 15 residues pruned to eliminate duplicates Z: 18 13.234 1.903 0.483 0.444 0.941 0.412 CB 1.280 18 residues pruned to eliminate duplicates Z: 13 5.826 1.940 0.179 0.335 0.667 0.333 CB 1.321 13 residues pruned to eliminate duplicates Z: 20 11.762 1.828 0.342 0.418 0.947 0.474 CB 1.265 20 residues pruned to eliminate duplicates Z: 17 11.645 1.891 0.368 0.452 0.875 0.500 CB 1.351 17 residues pruned to eliminate duplicates Z: 19 11.314 1.876 0.342 0.418 0.889 0.611 CB 1.298 19 residues pruned to eliminate duplicates Z: 18 13.516 1.922 0.472 0.487 0.941 0.588 CB 1.248 18 residues pruned to eliminate duplicates Z: 19 11.464 1.819 0.477 0.414 0.833 0.556 CB 1.320 19 residues pruned to eliminate duplicates Z: 19 14.605 1.849 0.577 0.426 0.944 0.667 CB 1.349 19 residues pruned to eliminate duplicates Z: 19 10.302 1.821 0.442 0.403 0.778 0.556 CB 1.316 19 residues pruned to eliminate duplicates Z: 9 6.145 1.716 0.398 0.374 0.750 0.500 CA 1.381 9 residues pruned to eliminate duplicates Z: 18 12.475 1.901 0.486 0.475 0.882 0.588 CB 1.245 18 residues pruned to eliminate duplicates Z: 20 11.497 1.774 0.454 0.453 0.842 0.474 CB 1.274 20 residues pruned to eliminate duplicates Z: 19 13.276 1.815 0.511 0.456 0.889 0.611 CB 1.343 19 residues pruned to eliminate duplicates Z: 19 11.188 1.786 0.445 0.431 0.889 0.611 CB 1.235 19 residues pruned to eliminate duplicates Z: 10 6.138 1.737 0.527 0.405 0.889 0.667 CB 0.958 Z: 6 5.004 1.795 0.092 0.394 1.000 1.000 CA 1.277 6 residues pruned to eliminate duplicates Z: 24 16.327 1.884 0.247 0.534 0.957 0.478 CB 1.465 24 residues pruned to eliminate duplicates Z: 6 3.357 1.443 0.602 0.290 1.000 0.200 CB 0.822 6 residues pruned to eliminate duplicates Z: 23 17.069 1.960 0.418 0.538 0.909 0.682 CB 1.388 23 residues pruned to eliminate duplicates Z: 23 12.799 1.867 0.358 0.374 0.864 0.409 CB 1.426 23 residues pruned to eliminate duplicates Z: 12 13.296 1.856 0.194 0.734 1.000 0.818 CB 1.466 12 residues pruned to eliminate duplicates Z: 18 20.852 1.912 0.459 0.700 1.000 0.706 CB 1.510 18 residues pruned to eliminate duplicates Z: 18 21.589 1.907 0.662 0.683 0.941 0.588 CB 1.483 24 residues pruned to eliminate duplicates Z: 11 14.483 1.726 0.769 0.803 0.900 0.600 CB 1.280 11 residues pruned to eliminate duplicates Z: 10 13.739 1.904 0.425 0.796 0.889 0.778 CB 1.465 10 residues pruned to eliminate duplicates Z: 24 16.641 1.917 0.542 0.476 0.870 0.609 CB 1.384 24 residues pruned to eliminate duplicates Z: 24 18.066 1.914 0.569 0.493 0.826 0.652 CB 1.529 24 residues pruned to eliminate duplicates Z: 12 15.192 1.827 0.749 0.716 0.909 0.636 CB 1.297 12 residues pruned to eliminate duplicates Z: 24 21.423 1.868 0.637 0.498 0.957 0.565 CB 1.531 19 residues pruned to eliminate duplicates Z: 14 8.501 1.636 0.034 0.848 1.000 0.692 CB 1.034 13 residues pruned to eliminate duplicates Z: 12 8.817 1.698 0.085 0.806 0.909 0.636 CB 1.216 12 residues pruned to eliminate duplicates Z: 9 10.381 1.684 0.352 0.849 1.000 0.875 CB 1.195 9 residues pruned to eliminate duplicates Z: 15 10.196 1.693 0.452 0.640 0.857 0.500 CB 1.134 16 residues pruned to eliminate duplicates Z: 13 8.592 1.638 0.517 0.789 1.000 0.750 CB 0.774 13 residues pruned to eliminate duplicates Z: 12 10.091 1.754 0.449 0.710 1.000 0.636 CB 0.989 12 residues pruned to eliminate duplicates Z: 12 10.207 1.748 0.358 0.702 1.000 0.727 CB 1.079 12 residues pruned to eliminate duplicates Z: 11 10.864 1.759 0.412 0.668 1.000 0.600 CB 1.184 11 residues pruned to eliminate duplicates Z: 11 7.962 1.671 0.265 0.604 0.900 0.600 CB 1.199 11 residues pruned to eliminate duplicates Z: 15 10.178 1.677 0.477 0.674 0.929 0.714 CB 1.008 15 residues pruned to eliminate duplicates Z: 9 9.715 1.626 0.592 0.812 0.875 0.750 CB 1.156 12 residues pruned to eliminate duplicates Z: 13 11.769 1.685 0.414 0.880 1.000 0.833 CB 1.034 13 residues pruned to eliminate duplicates Z: 13 17.948 1.862 0.737 0.654 1.000 0.583 CB 1.388 11 residues pruned to eliminate duplicates Z: 18 21.318 1.794 0.755 0.784 1.000 0.706 CA 1.280 18 residues pruned to eliminate duplicates Z: 19 18.789 1.830 0.585 0.712 0.944 0.778 CB 1.334 19 residues pruned to eliminate duplicates Z: 19 20.526 1.886 0.723 0.698 0.944 0.722 CA 1.315 19 residues pruned to eliminate duplicates Z: 23 19.081 1.803 0.587 0.673 0.909 0.500 CB 1.334 23 residues pruned to eliminate duplicates Z: 19 20.139 1.848 0.835 0.699 0.833 0.444 N 1.402 19 residues pruned to eliminate duplicates Z: 16 17.465 1.888 0.676 0.693 0.867 0.467 CA 1.378 26 residues pruned to eliminate duplicates Z: 19 20.262 1.790 0.595 0.857 0.944 0.722 CB 1.305 19 residues pruned to eliminate duplicates Z: 18 21.540 1.874 0.781 0.755 0.941 0.706 CB 1.325 18 residues pruned to eliminate duplicates Z: 21 21.567 1.864 0.906 0.702 0.900 0.600 CB 1.255 21 residues pruned to eliminate duplicates Z: 26 17.889 1.831 0.714 0.674 0.880 0.400 CB 1.104 26 residues pruned to eliminate duplicates Z: 21 14.072 1.828 0.665 0.704 0.800 0.350 CB 1.073 21 residues pruned to eliminate duplicates Z: 23 20.684 1.837 0.831 0.706 0.909 0.182 CB 1.195 23 residues pruned to eliminate duplicates Z: 20 20.465 1.811 0.923 0.742 0.895 0.421 CB 1.214 20 residues pruned to eliminate duplicates Z: 25 15.011 1.760 0.712 0.600 0.833 0.333 CB 1.109 25 residues pruned to eliminate duplicates Z: 30 17.468 1.713 0.735 0.595 0.793 0.379 CB 1.257 30 residues pruned to eliminate duplicates Z: 13 14.994 1.782 0.852 0.701 0.833 0.250 CB 1.310 13 residues pruned to eliminate duplicates Z: 25 21.520 1.812 0.800 0.645 0.917 0.500 CB 1.283 25 residues pruned to eliminate duplicates Z: 14 12.266 1.751 0.696 0.633 0.923 0.385 CB 1.095 14 residues pruned to eliminate duplicates Z: 24 23.329 1.856 0.788 0.701 0.957 0.609 CB 1.276 24 residues pruned to eliminate duplicates Z: 6 3.230 1.626 0.155 0.305 0.800 0.600 CB 1.194 6 residues pruned to eliminate duplicates Z: 63 32.033 1.808 0.656 0.614 0.952 0.613 CB 1.281 65 residues pruned to eliminate duplicates Z: 6 5.851 1.523 0.503 0.393 1.000 0.200 CA 1.281 6 residues pruned to eliminate duplicates Z: 10 6.892 1.720 0.302 0.546 1.000 0.556 CB 0.981 10 residues pruned to eliminate duplicates Z: 33 21.240 1.831 0.337 0.676 0.969 0.750 CB 1.345 33 residues pruned to eliminate duplicates Z: 26 23.968 1.853 0.531 0.654 1.000 0.880 CA 1.464 26 residues pruned to eliminate duplicates Z: 32 25.593 1.850 0.585 0.662 1.000 0.774 CA 1.349 32 residues pruned to eliminate duplicates Z: 21 16.270 1.798 0.528 0.537 0.950 0.750 CA 1.344 21 residues pruned to eliminate duplicates Z: 25 18.880 1.874 0.262 0.656 1.000 0.833 CA 1.410 25 residues pruned to eliminate duplicates Z: 27 25.084 1.876 0.528 0.654 1.000 0.846 CA 1.487 27 residues pruned to eliminate duplicates Z: 33 26.279 1.874 0.552 0.670 0.938 0.812 CA 1.456 33 residues pruned to eliminate duplicates Z: 30 25.816 1.890 0.484 0.684 1.000 0.724 CB 1.443 30 residues pruned to eliminate duplicates Z: 20 20.188 1.933 0.585 0.588 0.947 0.895 CA 1.466 20 residues pruned to eliminate duplicates Z: 25 25.415 1.895 0.643 0.637 0.958 0.792 CA 1.530 25 residues pruned to eliminate duplicates Z: 34 28.958 1.836 0.701 0.678 1.000 0.848 CB 1.371 34 residues pruned to eliminate duplicates Z: 32 29.399 1.878 0.675 0.675 1.000 0.839 CB 1.430 32 residues pruned to eliminate duplicates Z: 33 29.108 1.875 0.676 0.664 0.969 0.688 CB 1.452 33 residues pruned to eliminate duplicates Z: 30 29.789 1.882 0.720 0.688 1.000 0.621 CB 1.439 30 residues pruned to eliminate duplicates Z: 26 26.080 1.873 0.673 0.639 1.000 0.840 CA 1.461 26 residues pruned to eliminate duplicates Z: 32 26.395 1.845 0.533 0.684 1.000 0.839 CB 1.416 32 residues pruned to eliminate duplicates Z: 32 27.321 1.862 0.614 0.666 0.968 0.774 CB 1.447 32 residues pruned to eliminate duplicates Z: 30 29.714 1.885 0.675 0.701 1.000 0.793 CA 1.455 30 residues pruned to eliminate duplicates Z: 31 28.606 1.873 0.638 0.707 1.000 0.800 CB 1.410 31 residues pruned to eliminate duplicates Z: 31 30.787 1.880 0.728 0.715 0.967 0.800 CB 1.473 31 residues pruned to eliminate duplicates Z: 33 25.167 1.801 0.599 0.649 0.938 0.719 CB 1.434 33 residues pruned to eliminate duplicates Z: 14 8.145 1.847 0.496 0.354 0.846 0.692 CB 1.131 14 residues pruned to eliminate duplicates Z: 16 9.478 1.704 0.501 0.336 1.000 0.600 CB 1.145 16 residues pruned to eliminate duplicates Z: 35 17.059 1.802 0.416 0.553 0.853 0.647 CB 1.276 35 residues pruned to eliminate duplicates Z: 23 9.962 1.691 0.514 0.380 0.864 0.500 CB 1.091 23 residues pruned to eliminate duplicates Z: 22 9.676 1.759 0.518 0.365 0.952 0.524 CB 0.960 22 residues pruned to eliminate duplicates Z: 18 10.684 1.708 0.610 0.424 0.882 0.706 CB 1.155 18 residues pruned to eliminate duplicates Z: 14 10.846 1.857 0.811 0.361 0.923 0.615 CB 1.126 14 residues pruned to eliminate duplicates Z: 14 7.191 1.763 0.524 0.327 0.923 0.615 CB 0.973 14 residues pruned to eliminate duplicates Z: 14 11.431 1.829 0.207 0.689 0.923 0.692 CB 1.308 12 residues pruned to eliminate duplicates Z: 10 14.417 1.779 0.463 0.860 1.000 0.778 CB 1.358 10 residues pruned to eliminate duplicates Z: 18 13.775 1.796 0.370 0.653 0.941 0.824 CB 1.251 17 residues pruned to eliminate duplicates Z: 14 14.518 1.697 0.444 0.817 1.000 0.846 CB 1.248 14 residues pruned to eliminate duplicates Z: 15 12.393 1.883 0.355 0.556 0.929 0.571 CB 1.324 15 residues pruned to eliminate duplicates Z: 14 14.499 1.863 0.596 0.584 0.923 0.692 CB 1.352 17 residues pruned to eliminate duplicates Z: 10 15.036 1.859 0.736 0.767 0.889 0.667 CA 1.379 10 residues pruned to eliminate duplicates Z: 19 12.471 1.837 0.310 0.560 1.000 0.611 CB 1.152 17 residues pruned to eliminate duplicates Z: 13 10.939 1.634 0.603 0.822 1.000 0.750 CB 0.912 13 residues pruned to eliminate duplicates Z: 14 12.752 1.932 0.210 0.632 0.923 0.615 CA 1.448 14 residues pruned to eliminate duplicates Z: 12 10.631 1.921 0.317 0.555 0.818 0.727 CB 1.467 12 residues pruned to eliminate duplicates Z: 16 11.328 1.888 0.325 0.536 0.867 0.600 CB 1.304 16 residues pruned to eliminate duplicates Z: 15 11.168 1.857 0.498 0.479 0.786 0.571 CB 1.395 15 residues pruned to eliminate duplicates Z: 16 12.393 1.843 0.503 0.512 0.867 0.600 CB 1.317 16 residues pruned to eliminate duplicates Z: 13 10.722 1.811 0.520 0.484 0.833 0.583 CB 1.371 13 residues pruned to eliminate duplicates Z: 28 15.328 1.939 0.429 0.430 0.815 0.444 CB 1.405 46 residues pruned to eliminate duplicates Z: 6 3.980 1.957 -0.048 0.263 1.000 0.600 N 1.251 6 residues pruned to eliminate duplicates Z: 46 22.523 1.907 0.567 0.425 0.844 0.489 CB 1.438 46 residues pruned to eliminate duplicates Z: 31 28.491 2.077 0.501 0.608 0.933 0.533 CB 1.614 31 residues pruned to eliminate duplicates Z: 13 8.895 1.975 0.306 0.424 0.750 0.417 CA 1.437 13 residues pruned to eliminate duplicates Z: 37 21.765 1.940 0.528 0.464 0.861 0.500 CB 1.474 37 residues pruned to eliminate duplicates Z: 12 9.668 2.024 0.377 0.452 0.727 0.364 CA 1.510 12 residues pruned to eliminate duplicates Z: 13 11.235 2.020 0.475 0.396 0.833 0.417 N 1.458 13 residues pruned to eliminate duplicates Z: 32 19.374 1.923 0.481 0.482 0.935 0.613 CB 1.330 32 residues pruned to eliminate duplicates Z: 30 18.855 1.935 0.501 0.502 0.862 0.517 CB 1.395 30 residues pruned to eliminate duplicates Z: 21 19.612 1.983 0.590 0.653 0.850 0.750 CB 1.420 21 residues pruned to eliminate duplicates Z: 31 25.032 2.019 0.499 0.553 0.933 0.600 CB 1.537 31 residues pruned to eliminate duplicates Z: 27 16.446 1.927 0.460 0.476 0.808 0.500 CA 1.454 27 residues pruned to eliminate duplicates Z: 20 23.453 2.003 0.517 0.716 0.947 0.737 CB 1.538 20 residues pruned to eliminate duplicates Z: 13 14.744 1.915 0.564 0.637 0.917 0.750 CA 1.363 13 residues pruned to eliminate duplicates Z: 14 11.352 1.933 0.229 0.634 0.846 0.462 CB 1.381 14 residues pruned to eliminate duplicates Z: 10 14.426 1.992 0.583 0.745 0.889 0.556 CB 1.378 10 residues pruned to eliminate duplicates Z: 17 25.591 2.083 0.624 0.735 1.000 0.812 CB 1.531 17 residues pruned to eliminate duplicates Z: 18 25.566 2.074 0.678 0.766 0.941 0.765 CB 1.495 18 residues pruned to eliminate duplicates Z: 19 25.277 2.003 0.730 0.694 1.000 0.611 CB 1.440 19 residues pruned to eliminate duplicates Z: 17 15.723 1.909 0.212 0.664 0.938 0.688 CB 1.557 17 residues pruned to eliminate duplicates Z: 19 23.106 2.005 0.581 0.710 0.944 0.667 CB 1.504 19 residues pruned to eliminate duplicates Z: 16 17.155 2.106 0.605 0.522 0.933 0.667 CB 1.375 16 residues pruned to eliminate duplicates Z: 21 25.885 2.025 0.572 0.733 1.000 0.700 CB 1.475 21 residues pruned to eliminate duplicates Z: 33 23.019 1.967 0.494 0.594 0.875 0.625 CB 1.447 33 residues pruned to eliminate duplicates Z: 18 11.446 1.893 0.430 0.488 0.882 0.706 CB 1.177 18 residues pruned to eliminate duplicates Z: 33 24.902 1.986 0.430 0.561 0.938 0.500 CB 1.558 33 residues pruned to eliminate duplicates Z: 39 30.119 1.980 0.614 0.560 0.895 0.579 CB 1.611 39 residues pruned to eliminate duplicates Z: 25 13.807 1.832 0.356 0.453 0.875 0.667 CB 1.360 25 residues pruned to eliminate duplicates Z: 11 5.198 1.715 0.644 0.237 0.700 0.400 O 1.131 11 residues pruned to eliminate duplicates Z: 23 11.477 1.768 0.312 0.483 0.818 0.636 CB 1.312 23 residues pruned to eliminate duplicates Z: 28 22.151 1.920 0.540 0.632 0.926 0.741 CB 1.375 28 residues pruned to eliminate duplicates Z: 35 18.808 1.831 0.490 0.544 0.882 0.618 CB 1.283 35 residues pruned to eliminate duplicates Z: 13 4.405 1.675 0.423 0.136 0.750 0.417 CB 1.118 13 residues pruned to eliminate duplicates Z: 28 14.608 1.758 0.565 0.415 0.926 0.593 CB 1.205 28 residues pruned to eliminate duplicates Z: 32 20.155 1.911 0.453 0.574 0.903 0.613 CB 1.343 32 residues pruned to eliminate duplicates Z: 59 22.639 2.009 0.499 0.329 0.828 0.517 CB 1.439 59 residues pruned to eliminate duplicates Z: 33 15.555 1.984 0.467 0.266 0.938 0.531 CB 1.315 33 residues pruned to eliminate duplicates Z: 30 16.188 2.054 0.557 0.250 0.897 0.517 CB 1.397 30 residues pruned to eliminate duplicates Z: 13 6.698 1.851 0.364 0.244 0.833 0.417 CB 1.235 13 residues pruned to eliminate duplicates Z: 50 22.579 2.051 0.489 0.314 0.918 0.429 CB 1.413 50 residues pruned to eliminate duplicates Z: 33 15.925 1.974 0.489 0.293 0.875 0.531 CB 1.381 33 residues pruned to eliminate duplicates Z: 12 7.349 1.714 0.435 0.353 1.000 0.455 CB 1.056 12 residues pruned to eliminate duplicates Z: 66 29.182 2.005 0.554 0.416 0.877 0.600 CB 1.447 66 residues pruned to eliminate duplicates Z: 41 26.610 2.117 0.629 0.342 0.950 0.600 CB 1.525 41 residues pruned to eliminate duplicates Z: 27 20.104 2.120 0.512 0.345 0.923 0.615 CB 1.577 27 residues pruned to eliminate duplicates Z: 21 17.623 2.070 0.666 0.411 0.950 0.700 CB 1.320 21 residues pruned to eliminate duplicates Z: 44 22.783 2.061 0.553 0.313 0.930 0.581 CB 1.436 44 residues pruned to eliminate duplicates Z: 38 25.321 2.099 0.633 0.361 0.892 0.514 CB 1.582 38 residues pruned to eliminate duplicates Z: 42 27.339 2.124 0.820 0.324 0.878 0.585 CB 1.526 42 residues pruned to eliminate duplicates Z: 50 22.321 2.060 0.590 0.321 0.878 0.490 CB 1.350 50 residues pruned to eliminate duplicates Z: 28 16.838 2.086 0.408 0.299 0.889 0.630 CB 1.554 28 residues pruned to eliminate duplicates Z: 73 30.263 1.999 0.575 0.439 0.861 0.556 CB 1.401 73 residues pruned to eliminate duplicates Z: 35 25.613 2.113 0.641 0.303 0.941 0.529 CB 1.677 35 residues pruned to eliminate duplicates Z: 28 20.999 2.099 0.670 0.319 0.926 0.519 CB 1.519 28 residues pruned to eliminate duplicates Z: 34 18.701 2.045 0.600 0.310 0.909 0.545 CB 1.352 34 residues pruned to eliminate duplicates Z: 32 22.131 2.046 0.617 0.328 0.935 0.548 CB 1.552 22 residues pruned to eliminate duplicates Z: 8 10.076 2.034 1.017 0.409 0.857 0.571 CB 1.192 8 residues pruned to eliminate duplicates Z: 40 27.691 2.145 0.738 0.358 0.923 0.718 CB 1.502 40 residues pruned to eliminate duplicates Z: 39 23.013 2.117 0.627 0.340 0.842 0.553 CB 1.532 39 residues pruned to eliminate duplicates Z: 41 26.247 2.137 0.681 0.334 0.925 0.600 CB 1.497 41 residues pruned to eliminate duplicates Z: 37 25.240 2.084 0.651 0.366 0.889 0.611 CB 1.589 37 residues pruned to eliminate duplicates Z: 25 22.089 2.185 0.651 0.332 0.875 0.667 CB 1.716 25 residues pruned to eliminate duplicates Z: 31 18.715 2.098 0.671 0.261 0.867 0.433 CB 1.479 31 residues pruned to eliminate duplicates Z: 41 25.658 2.132 0.706 0.336 0.900 0.450 CB 1.483 41 residues pruned to eliminate duplicates Z: 43 24.563 2.095 0.614 0.325 0.929 0.595 CB 1.465 43 residues pruned to eliminate duplicates Z: 38 25.368 2.150 0.595 0.333 0.892 0.568 CB 1.636 38 residues pruned to eliminate duplicates Z: 37 20.105 2.092 0.608 0.326 0.806 0.611 CB 1.497 37 residues pruned to eliminate duplicates Z: 41 26.572 2.127 0.775 0.327 0.925 0.575 CB 1.455 41 residues pruned to eliminate duplicates Z: 42 25.851 2.090 0.755 0.316 0.927 0.537 CB 1.455 42 residues pruned to eliminate duplicates Z: 36 24.333 2.155 0.597 0.355 0.914 0.686 CB 1.529 36 residues pruned to eliminate duplicates Z: 14 14.180 1.974 0.544 0.356 1.000 0.692 N 1.507 14 residues pruned to eliminate duplicates Z: 29 20.582 2.161 0.654 0.277 0.857 0.643 CA 1.633 29 residues pruned to eliminate duplicates Z: 41 21.633 2.096 0.648 0.302 0.875 0.600 CB 1.411 41 residues pruned to eliminate duplicates Z: 14 13.119 2.040 0.771 0.370 0.769 0.538 N 1.505 14 residues pruned to eliminate duplicates Z: 43 23.601 2.086 0.730 0.312 0.857 0.643 CB 1.450 43 residues pruned to eliminate duplicates Z: 42 21.593 2.071 0.691 0.287 0.878 0.537 CB 1.393 42 residues pruned to eliminate duplicates Z: 22 22.001 1.907 0.606 0.708 0.952 0.619 CA 1.363 20 residues pruned to eliminate duplicates Z: 17 23.883 2.018 0.587 0.833 0.938 0.750 CA 1.492 17 residues pruned to eliminate duplicates Z: 25 20.984 1.853 0.524 0.732 0.958 0.542 CB 1.284 27 residues pruned to eliminate duplicates Z: 16 27.874 2.075 0.752 0.876 1.000 0.800 CA 1.439 16 residues pruned to eliminate duplicates Z: 24 17.720 1.867 0.375 0.717 0.913 0.652 CA 1.295 24 residues pruned to eliminate duplicates Z: 21 21.848 1.970 0.618 0.731 0.950 0.500 CA 1.310 21 residues pruned to eliminate duplicates Z: 25 19.835 1.939 0.403 0.699 0.917 0.667 CB 1.354 25 residues pruned to eliminate duplicates Z: 25 21.586 1.924 0.491 0.735 0.958 0.708 CB 1.298 25 residues pruned to eliminate duplicates Z: 20 19.824 1.989 0.433 0.744 0.947 0.579 CA 1.354 20 residues pruned to eliminate duplicates Z: 21 20.542 1.939 0.506 0.757 0.950 0.450 CB 1.317 21 residues pruned to eliminate duplicates Z: 29 24.768 1.877 0.530 0.706 1.000 0.679 CB 1.352 29 residues pruned to eliminate duplicates Z: 19 21.881 1.898 0.542 0.876 0.944 0.778 CA 1.355 19 residues pruned to eliminate duplicates Z: 24 24.299 1.940 0.595 0.699 0.957 0.739 CB 1.428 24 residues pruned to eliminate duplicates Z: 30 20.341 1.839 0.469 0.626 0.897 0.724 CB 1.384 30 residues pruned to eliminate duplicates Z: 21 20.398 1.924 0.714 0.713 0.900 0.600 CA 1.267 21 residues pruned to eliminate duplicates Z: 24 22.698 1.958 0.500 0.744 0.913 0.652 CA 1.419 24 residues pruned to eliminate duplicates Z: 31 22.813 1.829 0.584 0.640 0.933 0.733 CA 1.352 26 residues pruned to eliminate duplicates Z: 24 23.696 1.914 0.606 0.761 1.000 0.609 CA 1.275 24 residues pruned to eliminate duplicates Z: 26 21.770 1.937 0.464 0.762 0.920 0.600 CA 1.322 26 residues pruned to eliminate duplicates Z: 38 22.915 1.778 0.553 0.576 0.946 0.649 CB 1.341 35 residues pruned to eliminate duplicates Z: 9 11.283 1.653 0.603 0.864 0.875 0.625 CA 1.261 9 residues pruned to eliminate duplicates Z: 26 24.714 1.897 0.636 0.716 0.920 0.760 CA 1.424 26 residues pruned to eliminate duplicates Z: 26 23.678 1.940 0.569 0.773 0.920 0.720 CA 1.328 26 residues pruned to eliminate duplicates Z: 27 29.897 1.905 0.685 0.792 1.000 0.731 CA 1.414 28 residues pruned to eliminate duplicates Z: 10 13.544 1.534 0.793 0.874 1.000 0.667 CA 1.195 9 residues pruned to eliminate duplicates Z: 9 15.594 1.635 1.057 0.883 0.875 0.625 CA 1.355 10 residues pruned to eliminate duplicates Z: 6 2.880 1.322 0.444 0.357 0.800 0.400 N 0.985 6 residues pruned to eliminate duplicates Z: 9 19.116 1.950 0.613 0.769 1.000 0.875 N 1.694 9 residues pruned to eliminate duplicates Z: 10 14.837 1.900 0.377 0.746 1.000 0.778 N 1.518 10 residues pruned to eliminate duplicates Z: 10 13.057 1.809 0.575 0.623 1.000 0.667 N 1.360 10 residues pruned to eliminate duplicates Z: 8 18.091 1.934 0.661 0.807 1.000 1.000 N 1.629 8 residues pruned to eliminate duplicates Z: 13 13.678 1.851 0.470 0.497 1.000 0.667 N 1.455 24 residues pruned to eliminate duplicates Z: 12 14.382 1.940 0.560 0.529 0.909 0.727 CA 1.531 20 residues pruned to eliminate duplicates Z: 14 12.727 1.863 0.654 0.526 0.769 0.615 CA 1.451 14 residues pruned to eliminate duplicates Z: 15 8.032 1.678 0.402 0.483 0.786 0.500 N 1.181 15 residues pruned to eliminate duplicates Z: 14 17.426 1.885 0.786 0.663 1.000 0.615 N 1.234 14 residues pruned to eliminate duplicates Z: 13 20.389 1.987 0.824 0.697 0.917 0.750 N 1.480 13 residues pruned to eliminate duplicates Z: 15 16.899 1.827 0.791 0.710 0.929 0.714 N 1.229 15 residues pruned to eliminate duplicates Z: 23 15.725 1.787 0.559 0.509 0.909 0.682 CB 1.312 34 residues pruned to eliminate duplicates Z: 12 20.354 1.987 0.720 0.736 1.000 0.727 N 1.452 12 residues pruned to eliminate duplicates Z: 11 12.464 2.015 0.486 0.619 0.800 0.600 CA 1.470 11 residues pruned to eliminate duplicates Z: 24 17.453 1.865 0.613 0.550 0.913 0.565 CB 1.262 24 residues pruned to eliminate duplicates Z: 20 17.208 1.854 0.682 0.578 0.842 0.526 CB 1.395 20 residues pruned to eliminate duplicates Z: 18 14.806 1.891 0.556 0.464 0.824 0.529 CB 1.537 18 residues pruned to eliminate duplicates Z: 9 8.826 1.906 0.523 0.491 0.875 0.500 CB 1.240 Z: 6 3.383 1.510 0.260 0.334 1.000 0.800 CA 0.954 6 residues pruned to eliminate duplicates Z: 14 12.210 1.873 0.686 0.357 0.846 0.615 N 1.480 9 residues pruned to eliminate duplicates Z: 8 3.804 1.814 0.329 0.363 0.571 0.429 CA 1.210 8 residues pruned to eliminate duplicates Z: 29 12.984 2.003 0.332 0.303 0.893 0.464 CB 1.283 29 residues pruned to eliminate duplicates Z: 26 14.640 2.065 0.520 0.327 0.840 0.440 CB 1.342 26 residues pruned to eliminate duplicates Z: 39 15.539 1.862 0.529 0.330 0.842 0.500 CB 1.267 39 residues pruned to eliminate duplicates Z: 16 11.258 2.150 0.318 0.310 0.867 0.667 CB 1.462 16 residues pruned to eliminate duplicates Z: 38 14.256 1.907 0.505 0.293 0.811 0.514 CB 1.270 38 residues pruned to eliminate duplicates Z: 30 13.143 1.974 0.521 0.295 0.862 0.552 CB 1.186 30 residues pruned to eliminate duplicates Z: 28 17.611 1.989 0.656 0.338 0.926 0.556 CB 1.326 28 residues pruned to eliminate duplicates Z: 31 13.733 1.967 0.350 0.302 0.933 0.533 CB 1.262 31 residues pruned to eliminate duplicates Z: 6 6.642 1.738 0.348 0.722 1.000 0.800 CA 1.037 6 residues pruned to eliminate duplicates Z: 34 21.246 1.935 0.653 0.409 0.909 0.576 CB 1.399 34 residues pruned to eliminate duplicates Z: 30 15.555 2.057 0.504 0.282 0.897 0.655 CB 1.332 30 residues pruned to eliminate duplicates Z: 14 11.309 1.998 0.661 0.349 0.846 0.538 CA 1.315 14 residues pruned to eliminate duplicates Z: 34 17.952 1.999 0.671 0.352 0.848 0.667 CB 1.295 34 residues pruned to eliminate duplicates Z: 14 9.992 1.884 0.696 0.391 0.769 0.462 CB 1.265 14 residues pruned to eliminate duplicates Z: 35 18.385 1.956 0.655 0.327 0.941 0.588 CB 1.251 35 residues pruned to eliminate duplicates Z: 18 10.657 1.809 0.559 0.424 0.824 0.412 CB 1.204 27 residues pruned to eliminate duplicates 6 1.970 1.314 0.563 0.228 0.600 0.400 CA 0.982 ? Z: 6 4.016 1.594 0.546 0.294 0.800 0.400 CA 1.146 Z: 6 3.133 1.247 0.775 0.382 0.800 0.800 CA 0.897 6 residues pruned to eliminate duplicates Z: 15 13.721 1.810 0.937 0.498 0.929 0.500 CB 1.128 21 residues pruned to eliminate duplicates Z: 14 16.189 1.888 0.810 0.576 0.923 0.615 CB 1.323 14 residues pruned to eliminate duplicates Z: 12 20.144 1.941 0.964 0.679 0.909 0.636 N 1.487 12 residues pruned to eliminate duplicates Z: 13 19.038 1.836 0.914 0.636 0.917 0.750 CB 1.503 13 residues pruned to eliminate duplicates Z: 14 21.020 1.828 1.045 0.616 0.923 0.692 CB 1.514 14 residues pruned to eliminate duplicates Z: 12 17.948 1.929 0.945 0.609 0.909 0.636 CB 1.431 12 residues pruned to eliminate duplicates Z: 18 15.894 1.696 1.171 0.589 0.824 0.588 CB 1.168 12 residues pruned to eliminate duplicates Z: 6 8.430 1.600 1.212 0.385 1.000 0.800 O 1.203 Z: 6 2.151 1.520 0.543 0.320 0.800 0.800 CA 0.626 6 residues pruned to eliminate duplicates Z: 23 17.577 1.775 0.585 0.618 0.909 0.636 CB 1.310 29 residues pruned to eliminate duplicates Z: 12 17.359 1.917 0.752 0.764 1.000 0.727 CB 1.232 12 residues pruned to eliminate duplicates Z: 13 15.928 1.941 0.593 0.719 0.917 0.667 CB 1.331 13 residues pruned to eliminate duplicates Z: 21 16.395 1.844 0.565 0.568 0.950 0.550 CB 1.251 21 residues pruned to eliminate duplicates Z: 12 5.088 1.468 0.322 0.376 0.909 0.455 CB 0.992 12 residues pruned to eliminate duplicates Z: 6 5.987 1.563 0.476 0.541 1.000 0.600 CB 1.114 6 residues pruned to eliminate duplicates Z: 6 7.276 1.574 0.777 0.561 1.000 0.200 CB 1.097 6 residues pruned to eliminate duplicates Z: 20 10.494 1.751 0.430 0.424 0.895 0.421 CB 1.163 20 residues pruned to eliminate duplicates Z: 10 8.396 1.559 0.287 0.866 0.889 0.667 CA 1.148 10 residues pruned to eliminate duplicates Z: 15 10.077 1.707 0.382 0.598 0.857 0.429 CB 1.212 9 residues pruned to eliminate duplicates Z: 7 11.513 1.819 0.541 0.856 1.000 0.667 CB 1.237 7 residues pruned to eliminate duplicates Z: 10 11.407 1.771 0.732 0.671 0.889 0.667 CB 1.192 10 residues pruned to eliminate duplicates Z: 17 11.187 1.711 0.544 0.499 0.812 0.375 N 1.305 25 residues pruned to eliminate duplicates Z: 11 12.949 1.492 0.658 0.859 1.000 0.700 CA 1.218 11 residues pruned to eliminate duplicates Z: 9 13.907 1.699 0.773 0.822 1.000 0.750 CB 1.234 9 residues pruned to eliminate duplicates Z: 34 22.928 1.911 0.593 0.684 0.909 0.727 CB 1.218 Z: 6 5.626 1.507 0.665 0.286 1.000 0.600 O 1.276 6 residues pruned to eliminate duplicates Z: 32 25.851 1.928 0.737 0.723 0.935 0.710 CB 1.212 33 residues pruned to eliminate duplicates Z: 6 3.724 1.735 -0.058 0.540 0.800 0.600 CA 1.224 6 residues pruned to eliminate duplicates Z: 32 22.946 1.896 0.674 0.675 0.935 0.806 CB 1.181 32 residues pruned to eliminate duplicates Z: 34 22.927 1.883 0.705 0.669 0.909 0.636 CB 1.169 34 residues pruned to eliminate duplicates Z: 35 24.276 1.927 0.591 0.683 0.941 0.735 CB 1.220 34 residues pruned to eliminate duplicates Z: 6 4.462 1.694 0.218 0.461 1.000 0.600 CA 1.007 6 residues pruned to eliminate duplicates Z: 25 14.371 1.803 0.342 0.535 1.000 0.667 CB 1.172 25 residues pruned to eliminate duplicates Z: 20 19.614 1.855 0.679 0.763 1.000 0.526 CB 1.144 20 residues pruned to eliminate duplicates Z: 34 25.345 1.867 0.682 0.695 0.939 0.727 CB 1.251 34 residues pruned to eliminate duplicates Z: 34 24.373 1.905 0.736 0.669 0.909 0.758 CB 1.207 36 residues pruned to eliminate duplicates Z: 16 18.508 1.920 0.907 0.859 1.000 1.000 CB 0.961 16 residues pruned to eliminate duplicates Z: 17 14.959 1.991 0.344 0.837 1.000 0.875 CB 1.045 17 residues pruned to eliminate duplicates Z: 34 21.517 1.907 0.488 0.680 0.939 0.788 CB 1.191 34 residues pruned to eliminate duplicates Z: 30 25.029 1.934 0.628 0.703 0.931 0.828 CB 1.318 30 residues pruned to eliminate duplicates Z: 35 24.545 1.901 0.560 0.688 0.971 0.706 CB 1.231 35 residues pruned to eliminate duplicates Z: 17 17.933 1.977 0.733 0.855 0.938 0.688 CB 1.030 17 residues pruned to eliminate duplicates Z: 20 17.177 1.939 0.669 0.769 0.947 0.737 CB 1.013 20 residues pruned to eliminate duplicates Z: 33 28.328 1.946 0.734 0.703 1.000 0.781 CB 1.233 33 residues pruned to eliminate duplicates Z: 18 24.495 1.953 0.954 0.891 1.000 0.765 CB 1.120 18 residues pruned to eliminate duplicates Z: 32 26.480 1.933 0.755 0.715 0.935 0.677 CB 1.234 32 residues pruned to eliminate duplicates Z: 33 20.323 1.892 0.621 0.645 0.906 0.625 CB 1.129 33 residues pruned to eliminate duplicates Z: 31 23.296 1.940 0.607 0.677 0.933 0.767 CB 1.242 31 residues pruned to eliminate duplicates Z: 33 26.977 1.929 0.664 0.742 1.000 0.844 CB 1.196 31 residues pruned to eliminate duplicates Z: 17 15.477 1.897 0.682 0.896 1.000 0.562 CB 0.869 17 residues pruned to eliminate duplicates Z: 6 3.823 1.674 0.381 0.293 0.800 0.200 CB 1.165 7 residues pruned to eliminate duplicates Z: 6 3.612 1.399 0.268 0.480 1.000 0.800 CB 0.929 5 residues pruned to eliminate duplicates Z: 13 10.002 1.641 0.345 0.833 0.917 0.750 CB 1.071 11 residues pruned to eliminate duplicates 632 residues left after pruning, divided into chains as follows: A: 7 B: 8 C: 66 D: 70 E: 14 F: 20 G: 15 H: 23 I: 12 J: 96 K: 100 L: 35 M: 8 N: 32 O: 10 P: 8 Q: 23 R: 8 S: 15 T: 62 CC for partial structure against native data = 35.03 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.515, Connect. = 0.715 for dens.mod. cycle 1 = 0.300, Contrast = 0.587, Connect. = 0.738 for dens.mod. cycle 2 = 0.300, Contrast = 0.681, Connect. = 0.767 for dens.mod. cycle 3 = 0.300, Contrast = 0.687, Connect. = 0.769 for dens.mod. cycle 4 = 0.300, Contrast = 0.694, Connect. = 0.771 for dens.mod. cycle 5 = 0.300, Contrast = 0.695, Connect. = 0.772 for dens.mod. cycle 6 = 0.300, Contrast = 0.698, Connect. = 0.775 for dens.mod. cycle 7 = 0.300, Contrast = 0.697, Connect. = 0.776 for dens.mod. cycle 8 = 0.300, Contrast = 0.698, Connect. = 0.777 for dens.mod. cycle 9 = 0.300, Contrast = 0.697, Connect. = 0.777 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 3322 peaks > 0.5 sigma used to seed fragment search Space for about 1132 unique residues taking solvent into account 736 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 20.238 1.837 0.652 0.909 0.933 0.800 CB 1.309 B: 17 29.563 2.011 0.912 0.896 1.000 0.438 CB 1.376 C: 17 23.873 1.973 0.612 0.876 0.938 0.562 CB 1.455 D: 16 18.101 1.979 0.785 0.859 1.000 0.600 CB 0.973 E: 18 21.220 1.955 0.732 0.797 0.941 0.529 CA 1.245 F: 16 23.180 1.965 0.539 0.944 1.000 1.000 CB 1.371 G: 17 20.587 1.919 0.575 0.913 1.000 0.938 CB 1.205 17 residues pruned to eliminate duplicates H: 31 14.768 1.732 0.629 0.394 0.800 0.367 N 1.336 I: 11 9.806 1.798 0.284 0.587 0.900 0.600 CB 1.373 J: 19 30.446 1.985 0.713 0.876 1.000 0.500 CB 1.533 17 residues pruned to eliminate duplicates K: 12 21.616 1.850 0.814 0.808 1.000 0.727 CB 1.485 L: 16 22.586 2.037 0.354 0.902 1.000 0.800 CB 1.508 16 residues pruned to eliminate duplicates M: 36 21.728 1.847 0.530 0.653 0.971 0.743 CB 1.160 16 residues pruned to eliminate duplicates N: 10 16.391 1.924 0.688 0.877 0.889 0.778 CA 1.374 O: 11 10.112 1.617 0.506 0.821 0.900 0.800 CB 1.105 P: 16 25.926 2.081 0.668 0.874 0.933 0.733 CB 1.503 17 residues pruned to eliminate duplicates Q: 11 10.940 1.792 0.193 0.884 1.000 0.700 CB 1.170 10 residues pruned to eliminate duplicates R: 13 20.923 2.070 0.686 0.940 0.917 0.917 CB 1.311 S: 17 21.789 1.890 0.644 0.836 0.938 0.750 CA 1.400 17 residues pruned to eliminate duplicates T: 19 19.538 1.942 0.692 0.599 0.944 0.778 CB 1.350 U: 15 15.447 1.970 0.855 0.916 1.000 0.929 CB 0.798 15 residues pruned to eliminate duplicates V: 12 10.652 1.646 0.357 0.759 0.818 0.727 CA 1.396 W: 17 7.830 1.781 0.194 0.360 0.875 0.688 CB 1.223 X: 12 13.623 1.568 0.513 0.797 1.000 0.818 CA 1.335 12 residues pruned to eliminate duplicates Y: 14 16.993 1.837 0.597 0.898 0.923 0.615 CB 1.245 14 residues pruned to eliminate duplicates Z: 36 22.718 2.098 0.621 0.351 0.914 0.457 CB 1.451 Z: 14 23.133 1.884 0.886 0.944 1.000 0.692 CB 1.251 15 residues pruned to eliminate duplicates 6 0.826 1.394 0.792 0.407 0.400 0.200 CB 0.407 ? Z: 9 9.316 1.912 0.630 0.515 0.750 0.625 CB 1.389 Z: 19 28.903 2.041 0.725 0.846 1.000 0.778 CB 1.437 19 residues pruned to eliminate duplicates Z: 71 31.136 2.013 0.565 0.398 0.914 0.557 CB 1.438 84 residues pruned to eliminate duplicates Z: 12 9.884 1.779 0.243 0.578 0.909 0.727 CB 1.376 11 residues pruned to eliminate duplicates Z: 19 27.616 1.958 0.762 0.889 1.000 0.611 CB 1.359 19 residues pruned to eliminate duplicates Z: 17 17.131 1.961 0.297 0.782 0.938 0.625 CA 1.401 17 residues pruned to eliminate duplicates Z: 26 21.128 1.835 0.537 0.690 0.920 0.760 CB 1.368 15 residues pruned to eliminate duplicates Z: 9 14.720 2.029 0.676 0.627 0.875 0.625 CB 1.551 Z: 13 16.118 1.813 1.162 0.572 0.833 0.750 CB 1.329 Z: 17 22.083 1.985 0.528 0.844 1.000 0.625 CA 1.354 17 residues pruned to eliminate duplicates Z: 23 18.640 1.972 0.346 0.524 0.909 0.682 CB 1.608 12 residues pruned to eliminate duplicates Z: 6 4.741 1.461 0.424 0.866 1.000 0.800 CA 0.746 6 residues pruned to eliminate duplicates Z: 15 17.607 1.872 0.432 0.928 0.929 0.929 CB 1.323 15 residues pruned to eliminate duplicates Z: 8 2.620 1.601 0.081 0.378 0.857 0.429 N 0.760 Z: 14 13.172 1.792 0.833 0.484 0.923 0.615 CB 1.224 13 residues pruned to eliminate duplicates Z: 22 19.878 1.988 0.615 0.468 0.952 0.667 CA 1.465 Z: 15 22.563 1.896 0.594 0.934 1.000 0.929 CA 1.391 15 residues pruned to eliminate duplicates Z: 34 26.466 2.185 0.692 0.377 0.939 0.636 CB 1.512 34 residues pruned to eliminate duplicates Z: 11 19.311 1.897 0.514 0.756 1.000 0.700 CA 1.693 12 residues pruned to eliminate duplicates Z: 46 26.267 1.957 0.605 0.502 0.889 0.622 CB 1.400 46 residues pruned to eliminate duplicates Z: 11 16.667 1.820 0.608 0.664 1.000 0.600 CA 1.548 Z: 16 21.302 1.966 0.403 0.943 1.000 1.000 CB 1.382 15 residues pruned to eliminate duplicates Z: 18 13.503 1.764 0.554 0.614 0.882 0.647 CB 1.215 Z: 25 17.651 1.933 0.353 0.505 0.875 0.583 CB 1.566 24 residues pruned to eliminate duplicates Z: 10 9.408 1.597 0.559 0.766 1.000 0.444 CB 0.995 Z: 35 20.988 2.016 0.560 0.392 0.971 0.618 CB 1.322 20 residues pruned to eliminate duplicates Z: 12 12.220 1.839 0.359 0.798 1.000 0.727 CB 1.136 12 residues pruned to eliminate duplicates Z: 18 22.583 1.858 0.562 0.910 1.000 0.941 CB 1.339 17 residues pruned to eliminate duplicates Z: 22 18.845 1.801 0.664 0.513 0.905 0.571 CB 1.498 Z: 11 4.692 1.546 0.374 0.361 0.700 0.500 CB 1.159 Z: 13 12.336 1.838 0.888 0.584 0.917 0.667 CB 1.032 24 residues pruned to eliminate duplicates Z: 8 4.740 1.895 0.203 0.500 0.714 0.571 CB 1.100 Z: 6 8.650 1.709 0.646 0.637 0.800 0.600 O 1.511 6 residues pruned to eliminate duplicates Z: 9 14.707 1.852 0.578 0.617 1.000 0.750 CB 1.593 Z: 12 10.366 1.750 0.578 0.447 0.909 0.636 CA 1.314 Z: 9 6.954 1.773 0.651 0.493 0.875 0.500 CB 0.967 9 residues pruned to eliminate duplicates Z: 21 12.133 1.828 0.463 0.399 0.850 0.600 CA 1.328 21 residues pruned to eliminate duplicates Z: 19 20.370 1.856 0.941 0.714 0.889 0.667 CB 1.234 19 residues pruned to eliminate duplicates Z: 18 10.725 1.881 0.196 0.452 0.882 0.588 CB 1.378 18 residues pruned to eliminate duplicates Z: 20 27.405 1.894 0.718 0.866 1.000 0.526 CB 1.414 20 residues pruned to eliminate duplicates Z: 6 5.486 1.821 0.487 0.470 0.800 0.400 CA 1.168 Z: 14 19.209 1.964 0.849 0.923 0.923 0.923 CB 1.117 14 residues pruned to eliminate duplicates Z: 33 22.653 1.926 0.529 0.674 1.000 0.812 CB 1.158 36 residues pruned to eliminate duplicates Z: 10 12.748 1.882 0.268 0.741 1.000 0.667 CB 1.435 Z: 21 20.251 1.858 0.796 0.688 0.950 0.700 CB 1.203 20 residues pruned to eliminate duplicates Z: 19 10.735 1.744 0.453 0.599 0.889 0.667 CB 1.023 19 residues pruned to eliminate duplicates Z: 9 13.869 1.886 0.269 0.876 1.000 1.000 CA 1.489 9 residues pruned to eliminate duplicates Z: 7 4.540 1.370 0.660 0.642 0.833 0.500 N 0.856 Z: 7 6.262 1.435 0.621 0.725 0.833 0.500 CB 1.076 Z: 17 26.734 1.905 0.820 0.890 1.000 0.875 CB 1.387 18 residues pruned to eliminate duplicates Z: 16 22.592 2.015 0.688 0.840 0.933 0.600 CA 1.371 16 residues pruned to eliminate duplicates Z: 7 7.030 1.900 0.320 0.582 0.833 0.667 CA 1.269 7 residues pruned to eliminate duplicates Z: 14 11.994 1.885 0.184 0.696 0.923 0.615 N 1.350 Z: 16 14.809 1.963 0.382 0.751 0.800 0.733 CB 1.409 16 residues pruned to eliminate duplicates Z: 16 16.126 1.971 0.719 0.893 1.000 0.533 CB 0.882 16 residues pruned to eliminate duplicates Z: 35 27.001 1.864 0.699 0.627 0.941 0.618 CB 1.378 26 residues pruned to eliminate duplicates Z: 25 12.461 1.772 0.592 0.477 0.792 0.375 CB 1.166 Z: 7 9.859 1.689 0.351 0.854 1.000 0.833 N 1.303 Z: 42 19.030 1.904 0.743 0.399 0.854 0.683 CB 1.167 48 residues pruned to eliminate duplicates Z: 18 21.399 1.862 0.492 0.882 1.000 0.941 CB 1.351 18 residues pruned to eliminate duplicates Z: 14 27.534 1.999 1.135 0.932 1.000 0.769 CB 1.249 13 residues pruned to eliminate duplicates Z: 9 14.033 1.864 0.856 0.823 1.000 1.000 CB 1.085 9 residues pruned to eliminate duplicates Z: 12 14.306 1.536 0.795 0.736 1.000 0.455 N 1.265 12 residues pruned to eliminate duplicates Z: 16 15.437 1.608 0.475 0.891 0.933 0.800 CB 1.294 Z: 7 8.630 1.804 0.440 0.542 1.000 0.833 CB 1.302 Z: 17 14.133 1.833 0.760 0.612 0.875 0.625 CB 1.126 17 residues pruned to eliminate duplicates Z: 26 22.022 1.932 0.693 0.530 0.920 0.520 CB 1.421 63 residues pruned to eliminate duplicates Z: 17 21.898 1.980 0.504 0.905 0.938 0.562 CA 1.396 17 residues pruned to eliminate duplicates Z: 9 12.674 1.989 0.653 0.645 1.000 0.625 CB 1.190 Z: 17 24.414 2.039 0.518 0.837 0.938 0.625 CB 1.573 17 residues pruned to eliminate duplicates Z: 16 23.396 2.035 0.675 0.867 0.933 0.733 CA 1.389 15 residues pruned to eliminate duplicates Z: 30 18.877 2.076 0.646 0.345 0.897 0.586 CB 1.354 30 residues pruned to eliminate duplicates Z: 17 29.021 2.046 0.840 0.867 0.938 0.750 CB 1.504 17 residues pruned to eliminate duplicates Z: 18 27.122 2.046 0.638 0.887 1.000 0.824 CB 1.415 18 residues pruned to eliminate duplicates Z: 6 7.057 1.649 0.513 0.813 0.800 0.800 CA 1.205 6 residues pruned to eliminate duplicates Z: 17 14.139 2.003 0.713 0.478 0.938 0.750 CB 1.124 17 residues pruned to eliminate duplicates Z: 12 5.819 1.816 0.134 0.385 0.818 0.364 CB 1.176 Z: 12 21.461 1.884 0.753 0.831 1.000 0.818 CB 1.473 12 residues pruned to eliminate duplicates Z: 8 16.506 2.010 0.610 0.707 1.000 0.857 CB 1.597 8 residues pruned to eliminate duplicates Z: 18 25.779 1.883 0.678 0.903 1.000 0.824 CB 1.410 18 residues pruned to eliminate duplicates Z: 21 14.921 1.943 0.633 0.469 0.800 0.600 CB 1.357 21 residues pruned to eliminate duplicates Z: 14 16.906 1.809 0.979 0.535 0.923 0.538 CB 1.371 14 residues pruned to eliminate duplicates Z: 16 24.939 1.758 0.905 0.865 1.000 0.533 N 1.408 Z: 24 18.488 1.735 0.652 0.605 0.957 0.696 CB 1.272 14 residues pruned to eliminate duplicates Z: 15 24.142 1.819 0.739 0.931 0.929 0.857 CA 1.535 15 residues pruned to eliminate duplicates Z: 33 21.827 1.973 0.457 0.570 0.875 0.625 CB 1.433 30 residues pruned to eliminate duplicates Z: 10 16.523 1.987 0.446 0.847 0.889 0.667 CA 1.602 10 residues pruned to eliminate duplicates Z: 36 25.331 2.113 0.639 0.384 0.914 0.571 CB 1.529 36 residues pruned to eliminate duplicates Z: 14 24.183 1.970 1.085 0.934 0.923 0.846 CB 1.233 14 residues pruned to eliminate duplicates Z: 19 24.100 1.984 0.691 0.906 0.889 0.556 CB 1.354 19 residues pruned to eliminate duplicates Z: 21 21.794 1.890 0.827 0.660 0.950 0.800 N 1.280 21 residues pruned to eliminate duplicates Z: 17 21.217 1.906 0.560 0.924 1.000 1.000 CB 1.252 17 residues pruned to eliminate duplicates Z: 12 16.898 1.985 0.594 0.893 1.000 0.909 CB 1.156 12 residues pruned to eliminate duplicates Z: 16 24.404 2.018 0.525 0.880 0.933 0.600 CB 1.590 16 residues pruned to eliminate duplicates Z: 16 17.927 1.733 0.557 0.903 0.933 0.800 N 1.310 16 residues pruned to eliminate duplicates Z: 17 22.145 2.042 0.377 0.884 1.000 0.688 CA 1.422 17 residues pruned to eliminate duplicates Z: 11 8.737 1.591 0.532 0.466 0.900 0.700 CB 1.303 Z: 9 4.075 1.478 0.934 0.622 0.375 0.125 N 1.197 9 residues pruned to eliminate duplicates Z: 15 28.186 1.995 0.943 0.880 1.000 0.643 CA 1.408 15 residues pruned to eliminate duplicates Z: 19 28.165 2.000 0.673 0.884 1.000 0.667 CB 1.434 19 residues pruned to eliminate duplicates Z: 38 24.693 1.942 0.495 0.561 0.919 0.784 CB 1.435 33 residues pruned to eliminate duplicates Z: 11 9.686 2.060 0.145 0.470 0.800 0.500 CA 1.673 Z: 38 23.231 2.065 0.595 0.356 0.919 0.486 CB 1.475 38 residues pruned to eliminate duplicates Z: 11 6.127 1.739 0.220 0.478 0.800 0.400 CB 1.167 9 residues pruned to eliminate duplicates Z: 10 15.785 1.865 0.332 0.885 1.000 1.000 CA 1.529 10 residues pruned to eliminate duplicates Z: 16 23.746 2.038 0.644 0.804 0.933 0.600 CA 1.504 18 residues pruned to eliminate duplicates Z: 12 15.370 1.592 0.610 0.831 1.000 0.727 CB 1.358 12 residues pruned to eliminate duplicates Z: 16 20.788 1.755 0.677 0.898 0.933 0.533 CB 1.398 16 residues pruned to eliminate duplicates Z: 13 12.927 1.898 0.364 0.803 1.000 0.750 CB 1.106 13 residues pruned to eliminate duplicates Z: 19 19.057 1.954 0.694 0.673 0.944 0.611 CB 1.224 15 residues pruned to eliminate duplicates Z: 9 11.266 1.714 0.368 0.874 1.000 0.875 CA 1.236 10 residues pruned to eliminate duplicates Z: 14 17.316 1.715 0.795 0.657 1.000 0.846 CB 1.349 Z: 16 22.613 1.796 0.713 0.915 1.000 0.667 CB 1.341 17 residues pruned to eliminate duplicates Z: 17 16.208 1.978 0.510 0.863 1.000 0.750 CB 0.995 17 residues pruned to eliminate duplicates Z: 11 14.688 1.962 0.449 0.788 0.900 0.800 CB 1.409 12 residues pruned to eliminate duplicates Z: 33 24.778 1.943 0.398 0.628 0.969 0.750 CB 1.475 33 residues pruned to eliminate duplicates Z: 14 14.860 1.923 0.558 0.794 0.769 0.538 CB 1.382 13 residues pruned to eliminate duplicates Z: 73 33.848 2.017 0.631 0.418 0.889 0.583 CB 1.486 72 residues pruned to eliminate duplicates Z: 33 29.973 1.875 0.673 0.656 0.969 0.781 CB 1.509 32 residues pruned to eliminate duplicates Z: 10 16.117 1.951 0.641 0.723 1.000 0.889 CB 1.372 10 residues pruned to eliminate duplicates Z: 18 22.289 1.996 0.664 0.858 0.941 0.588 CA 1.274 18 residues pruned to eliminate duplicates Z: 7 6.366 1.724 0.443 0.773 0.667 0.333 N 1.231 Z: 12 8.997 1.742 0.828 0.413 0.818 0.455 CB 1.141 12 residues pruned to eliminate duplicates Z: 8 14.410 1.760 1.107 0.852 0.857 0.429 N 1.268 8 residues pruned to eliminate duplicates Z: 9 11.869 1.812 0.723 0.641 0.875 0.625 N 1.346 9 residues pruned to eliminate duplicates Z: 7 6.337 1.950 0.176 0.585 0.833 0.500 CB 1.248 Z: 22 11.460 1.674 0.488 0.503 0.857 0.524 N 1.168 17 residues pruned to eliminate duplicates Z: 9 5.098 1.652 0.287 0.463 0.750 0.500 CB 1.173 Z: 6 2.033 1.418 0.514 0.383 0.600 0.400 CA 0.799 6 residues pruned to eliminate duplicates Z: 21 26.326 1.940 0.673 0.859 0.950 0.800 CA 1.404 21 residues pruned to eliminate duplicates Z: 14 16.764 1.827 0.469 0.922 0.923 0.846 CA 1.319 14 residues pruned to eliminate duplicates Z: 17 25.459 2.026 0.515 0.887 0.938 0.812 CB 1.595 17 residues pruned to eliminate duplicates Z: 14 24.823 2.002 0.920 0.929 1.000 0.769 CA 1.254 14 residues pruned to eliminate duplicates Z: 11 18.804 1.795 0.658 0.865 1.000 0.900 N 1.464 12 residues pruned to eliminate duplicates Z: 9 12.902 1.932 0.398 0.625 1.000 0.625 CB 1.501 9 residues pruned to eliminate duplicates Z: 29 24.207 1.920 0.670 0.728 0.929 0.750 CB 1.252 29 residues pruned to eliminate duplicates Z: 17 28.593 2.038 0.779 0.868 0.938 0.688 CA 1.538 17 residues pruned to eliminate duplicates Z: 7 7.619 1.651 0.701 0.679 0.833 0.667 CB 1.127 7 residues pruned to eliminate duplicates Z: 20 21.195 1.937 0.523 0.878 0.947 0.684 CB 1.262 20 residues pruned to eliminate duplicates Z: 29 13.965 1.795 0.495 0.491 0.821 0.571 CB 1.209 29 residues pruned to eliminate duplicates Z: 30 18.627 1.850 0.562 0.519 0.828 0.621 CB 1.419 30 residues pruned to eliminate duplicates Z: 8 4.118 1.612 0.651 0.366 0.714 0.571 CB 0.945 6 residues pruned to eliminate duplicates Z: 12 17.364 1.777 0.577 0.829 1.000 0.545 CA 1.405 12 residues pruned to eliminate duplicates Z: 7 5.670 1.521 0.689 0.468 0.833 0.333 CB 1.117 Z: 17 18.140 2.032 0.537 0.655 0.812 0.562 CB 1.547 17 residues pruned to eliminate duplicates Z: 13 9.065 1.750 0.505 0.540 0.917 0.583 CB 1.043 13 residues pruned to eliminate duplicates Z: 16 14.071 1.967 0.278 0.895 1.000 0.867 CB 1.036 16 residues pruned to eliminate duplicates Z: 38 22.253 1.929 0.452 0.487 0.865 0.432 N 1.530 38 residues pruned to eliminate duplicates Z: 17 22.993 1.813 0.612 0.916 1.000 0.875 CA 1.389 17 residues pruned to eliminate duplicates Z: 16 22.080 1.751 0.800 0.910 0.933 0.467 CB 1.374 16 residues pruned to eliminate duplicates Z: 13 9.272 1.555 0.568 0.854 1.000 0.750 CB 0.811 13 residues pruned to eliminate duplicates Z: 8 6.799 1.834 0.300 0.442 0.857 0.286 CB 1.335 8 residues pruned to eliminate duplicates Z: 13 24.857 2.038 0.905 0.944 1.000 1.000 CA 1.280 13 residues pruned to eliminate duplicates Z: 9 12.359 1.641 0.753 0.844 0.875 0.750 CB 1.292 9 residues pruned to eliminate duplicates Z: 10 17.971 1.782 0.804 0.846 1.000 0.556 N 1.384 10 residues pruned to eliminate duplicates Z: 6 3.186 1.858 0.263 0.670 1.000 0.800 CB 0.519 Z: 15 13.194 1.729 0.863 0.619 0.786 0.571 CB 1.244 12 residues pruned to eliminate duplicates Z: 11 14.455 1.646 0.794 0.830 0.900 0.800 CB 1.294 13 residues pruned to eliminate duplicates Z: 6 6.936 1.658 0.379 0.523 1.000 0.600 CB 1.327 Z: 36 20.384 2.021 0.567 0.348 0.857 0.543 CB 1.496 36 residues pruned to eliminate duplicates Z: 11 13.785 1.635 0.718 0.842 0.900 0.700 CB 1.284 11 residues pruned to eliminate duplicates Z: 26 17.265 1.845 0.566 0.544 0.880 0.560 N 1.300 30 residues pruned to eliminate duplicates Z: 7 13.715 2.077 0.777 0.684 0.833 0.667 CA 1.538 7 residues pruned to eliminate duplicates Z: 20 15.870 1.831 0.459 0.612 0.842 0.579 CB 1.455 20 residues pruned to eliminate duplicates Z: 14 6.380 1.829 0.104 0.354 0.692 0.385 N 1.482 14 residues pruned to eliminate duplicates Z: 7 6.061 1.683 0.452 0.326 0.833 0.500 N 1.471 Z: 18 14.661 1.648 0.387 0.907 1.000 0.706 CA 1.106 18 residues pruned to eliminate duplicates Z: 41 29.086 1.913 0.696 0.615 0.900 0.575 CB 1.412 46 residues pruned to eliminate duplicates Z: 11 13.504 1.995 0.358 0.823 0.800 0.500 CB 1.489 11 residues pruned to eliminate duplicates Z: 34 27.356 2.149 0.666 0.417 0.939 0.697 CB 1.544 35 residues pruned to eliminate duplicates Z: 31 19.966 1.885 0.713 0.504 0.800 0.533 CB 1.405 31 residues pruned to eliminate duplicates Z: 20 26.066 2.014 0.505 0.902 1.000 0.895 CA 1.407 20 residues pruned to eliminate duplicates Z: 19 17.107 1.712 0.574 0.843 0.944 0.667 CA 1.179 16 residues pruned to eliminate duplicates Z: 6 7.106 1.701 0.300 0.593 1.000 0.800 CB 1.315 6 residues pruned to eliminate duplicates Z: 13 14.115 1.675 0.712 0.696 0.833 0.833 N 1.425 13 residues pruned to eliminate duplicates Z: 19 29.479 2.026 0.659 0.880 1.000 0.944 CB 1.497 19 residues pruned to eliminate duplicates Z: 37 13.220 1.866 0.452 0.309 0.833 0.389 CB 1.206 38 residues pruned to eliminate duplicates Z: 18 12.756 1.717 0.492 0.698 0.824 0.647 CB 1.224 16 residues pruned to eliminate duplicates Z: 21 24.372 1.921 0.753 0.861 0.950 0.500 CB 1.252 21 residues pruned to eliminate duplicates Z: 17 25.673 2.027 0.708 0.850 0.938 0.750 CA 1.464 17 residues pruned to eliminate duplicates Z: 19 19.243 1.739 0.534 0.882 0.944 0.833 CB 1.302 19 residues pruned to eliminate duplicates Z: 10 12.805 1.786 0.466 0.861 1.000 0.778 CB 1.198 10 residues pruned to eliminate duplicates Z: 16 16.111 1.939 0.639 0.896 1.000 0.800 CB 0.937 16 residues pruned to eliminate duplicates Z: 14 18.831 1.970 0.776 0.655 0.846 0.692 N 1.528 14 residues pruned to eliminate duplicates Z: 19 21.047 1.822 0.460 0.901 1.000 0.889 CB 1.332 19 residues pruned to eliminate duplicates Z: 12 2.954 1.539 0.174 0.212 0.818 0.364 CB 0.846 Z: 6 3.125 1.723 -0.020 0.375 0.800 0.400 CB 1.183 Z: 9 14.525 2.020 0.740 0.759 0.750 0.625 CA 1.547 9 residues pruned to eliminate duplicates Z: 11 16.574 1.944 0.640 0.679 1.000 0.700 CB 1.395 11 residues pruned to eliminate duplicates Z: 10 14.559 1.922 0.512 0.858 0.889 0.444 CB 1.383 10 residues pruned to eliminate duplicates Z: 9 17.070 1.874 0.626 0.762 1.000 0.750 CB 1.570 Z: 43 25.198 2.091 0.624 0.334 0.929 0.619 CB 1.479 42 residues pruned to eliminate duplicates Z: 9 11.605 1.712 0.616 0.812 1.000 0.500 CB 1.131 9 residues pruned to eliminate duplicates Z: 6 8.005 1.941 0.238 0.800 1.000 1.000 CB 1.146 6 residues pruned to eliminate duplicates Z: 11 16.768 1.706 0.652 0.887 1.000 0.800 CB 1.357 11 residues pruned to eliminate duplicates Z: 6 4.295 1.462 0.640 0.773 0.800 0.800 CB 0.786 6 residues pruned to eliminate duplicates Z: 7 5.060 1.439 0.375 0.811 1.000 0.833 CA 0.797 7 residues pruned to eliminate duplicates Z: 20 28.452 1.943 0.780 0.854 1.000 0.632 CB 1.395 20 residues pruned to eliminate duplicates Z: 7 6.175 1.860 0.039 0.703 1.000 0.500 CB 1.084 Z: 14 13.579 1.655 0.945 0.518 1.000 0.615 CB 1.149 Z: 11 4.945 1.825 0.128 0.226 0.700 0.500 CB 1.494 10 residues pruned to eliminate duplicates Z: 8 6.615 1.773 0.556 0.597 0.857 0.571 CB 0.964 7 residues pruned to eliminate duplicates Z: 42 29.584 1.890 0.696 0.604 0.927 0.585 CB 1.409 45 residues pruned to eliminate duplicates Z: 6 3.875 1.534 -0.005 0.624 0.800 0.800 N 1.263 Z: 10 4.988 1.649 0.198 0.532 1.000 0.556 CB 0.815 Z: 10 6.072 1.686 0.341 0.329 0.889 0.333 N 1.215 Z: 15 9.185 1.640 0.634 0.447 0.786 0.571 CB 1.232 7 residues pruned to eliminate duplicates Z: 13 10.728 1.976 0.848 0.459 0.750 0.583 CB 1.179 13 residues pruned to eliminate duplicates Z: 18 20.791 1.736 0.690 0.892 0.941 0.588 CB 1.313 18 residues pruned to eliminate duplicates Z: 10 7.724 1.895 0.312 0.575 0.889 0.556 CB 1.084 10 residues pruned to eliminate duplicates Z: 33 17.189 2.060 0.626 0.342 0.781 0.562 CB 1.379 33 residues pruned to eliminate duplicates Z: 30 15.149 1.790 0.512 0.609 0.931 0.759 CB 1.007 30 residues pruned to eliminate duplicates Z: 20 16.030 2.131 0.417 0.326 0.947 0.684 CB 1.555 20 residues pruned to eliminate duplicates Z: 8 8.656 1.698 0.561 0.494 1.000 0.857 CB 1.242 4 residues pruned to eliminate duplicates Z: 13 5.089 1.474 0.630 0.370 0.750 0.500 CB 0.937 Z: 10 3.428 1.512 0.306 0.403 0.667 0.556 CB 0.961 Z: 6 5.458 1.497 0.442 0.712 0.800 0.800 O 1.165 Z: 24 13.209 1.809 0.472 0.398 0.826 0.435 CB 1.395 24 residues pruned to eliminate duplicates Z: 24 14.876 1.766 0.455 0.544 0.870 0.565 CA 1.329 24 residues pruned to eliminate duplicates Z: 13 13.327 1.795 0.653 0.498 0.917 0.583 CB 1.419 13 residues pruned to eliminate duplicates Z: 14 11.655 1.631 0.610 0.615 0.846 0.615 CB 1.305 12 residues pruned to eliminate duplicates Z: 6 3.392 1.653 0.322 0.108 0.800 0.200 N 1.426 Z: 11 8.192 1.743 0.359 0.517 0.900 0.500 CB 1.194 11 residues pruned to eliminate duplicates Z: 15 12.886 1.850 0.553 0.876 0.929 0.786 CB 0.938 15 residues pruned to eliminate duplicates Z: 30 12.760 1.738 0.330 0.519 0.931 0.724 CB 1.080 36 residues pruned to eliminate duplicates Z: 16 21.885 1.753 0.791 0.910 0.933 0.600 N 1.368 16 residues pruned to eliminate duplicates Z: 10 5.661 1.653 0.707 0.383 0.667 0.333 CB 1.136 Z: 8 11.929 1.831 0.673 0.814 0.857 0.286 N 1.307 8 residues pruned to eliminate duplicates Z: 17 23.067 1.938 0.542 0.915 1.000 0.875 CB 1.365 18 residues pruned to eliminate duplicates Z: 9 6.444 1.631 0.781 0.451 0.875 0.375 N 0.943 Z: 73 34.800 2.025 0.642 0.436 0.917 0.639 CB 1.438 73 residues pruned to eliminate duplicates Z: 19 18.006 1.787 0.626 0.580 0.944 0.611 N 1.432 19 residues pruned to eliminate duplicates Z: 13 16.681 1.988 0.468 0.699 0.917 0.667 CB 1.500 13 residues pruned to eliminate duplicates Z: 19 20.348 1.855 0.723 0.834 0.889 0.556 CA 1.265 19 residues pruned to eliminate duplicates Z: 16 25.727 2.057 0.535 0.884 1.000 0.867 CB 1.520 16 residues pruned to eliminate duplicates Z: 6 3.400 1.522 0.150 0.474 1.000 0.400 CB 0.892 6 residues pruned to eliminate duplicates Z: 8 15.121 1.632 1.051 0.760 1.000 0.571 CB 1.355 8 residues pruned to eliminate duplicates Z: 18 15.223 1.681 0.590 0.854 0.941 0.647 CB 1.084 18 residues pruned to eliminate duplicates Z: 7 3.084 1.581 0.316 0.398 0.833 0.500 CB 0.809 Z: 7 3.201 1.602 0.265 0.185 0.833 0.500 CB 1.130 Z: 20 24.695 1.952 0.522 0.870 1.000 0.895 CA 1.392 20 residues pruned to eliminate duplicates Z: 15 17.555 1.760 0.444 0.898 1.000 0.786 CA 1.321 15 residues pruned to eliminate duplicates Z: 10 9.711 1.820 0.602 0.508 0.889 0.667 N 1.239 10 residues pruned to eliminate duplicates Z: 29 16.755 2.062 0.531 0.350 0.893 0.464 CB 1.321 29 residues pruned to eliminate duplicates Z: 16 11.253 1.884 0.281 0.877 0.933 0.933 CB 0.937 16 residues pruned to eliminate duplicates Z: 12 10.038 1.367 0.578 0.774 1.000 0.727 CA 1.101 Z: 16 21.492 2.036 0.537 0.851 0.867 0.667 CB 1.515 16 residues pruned to eliminate duplicates Z: 13 6.859 1.597 0.540 0.462 0.833 0.667 CB 1.004 13 residues pruned to eliminate duplicates Z: 6 5.259 1.577 0.734 0.565 1.000 0.400 N 0.807 Z: 11 13.843 1.459 0.911 0.887 1.000 0.500 CB 1.132 11 residues pruned to eliminate duplicates Z: 17 12.700 1.883 0.523 0.389 0.875 0.625 CB 1.423 17 residues pruned to eliminate duplicates Z: 21 25.388 1.878 0.708 0.834 0.950 0.600 CB 1.396 21 residues pruned to eliminate duplicates Z: 8 8.500 1.592 0.787 0.656 0.857 0.714 N 1.140 Z: 39 20.740 1.898 0.618 0.480 0.789 0.421 CB 1.416 35 residues pruned to eliminate duplicates Z: 9 6.441 1.763 0.366 0.392 0.750 0.500 O 1.413 Z: 13 12.449 1.673 0.557 0.822 0.917 0.750 CA 1.139 13 residues pruned to eliminate duplicates Z: 14 6.008 1.516 0.379 0.343 0.923 0.538 CB 1.024 Z: 8 11.493 1.828 0.884 0.684 0.857 0.714 CB 1.243 Z: 25 14.264 1.712 0.427 0.597 0.917 0.750 CB 1.185 29 residues pruned to eliminate duplicates Z: 6 3.787 1.586 0.016 0.288 1.000 0.600 CA 1.334 6 residues pruned to eliminate duplicates Z: 13 9.936 1.681 0.485 0.468 0.917 0.583 CB 1.295 Z: 17 25.650 1.970 0.580 0.934 1.000 1.000 CB 1.437 17 residues pruned to eliminate duplicates Z: 9 9.756 1.777 0.641 0.831 0.875 0.625 CB 1.015 9 residues pruned to eliminate duplicates Z: 33 22.171 1.941 0.412 0.587 0.875 0.594 CB 1.504 33 residues pruned to eliminate duplicates Z: 8 6.882 1.425 0.191 0.821 1.000 0.857 CB 1.159 Z: 31 18.675 2.030 0.510 0.370 0.867 0.633 CB 1.476 31 residues pruned to eliminate duplicates Z: 15 22.584 1.991 0.450 0.890 1.000 0.571 CB 1.505 15 residues pruned to eliminate duplicates Z: 14 7.387 1.783 0.263 0.509 0.846 0.615 CB 1.065 9 residues pruned to eliminate duplicates Z: 19 9.964 1.676 0.444 0.476 0.889 0.500 CB 1.118 19 residues pruned to eliminate duplicates Z: 29 17.754 1.735 0.472 0.565 0.929 0.643 CB 1.329 52 residues pruned to eliminate duplicates Z: 61 29.795 2.011 0.665 0.367 0.900 0.600 CB 1.472 61 residues pruned to eliminate duplicates Z: 14 15.939 1.947 0.547 0.888 0.923 0.923 CA 1.145 14 residues pruned to eliminate duplicates Z: 16 17.703 1.862 0.462 0.928 0.933 0.933 CA 1.260 16 residues pruned to eliminate duplicates Z: 29 16.418 1.898 0.461 0.557 0.893 0.643 CB 1.186 29 residues pruned to eliminate duplicates Z: 17 15.747 1.902 0.714 0.596 0.875 0.562 CB 1.260 17 residues pruned to eliminate duplicates Z: 10 6.116 1.618 0.611 0.425 0.889 0.556 CB 0.951 10 residues pruned to eliminate duplicates Z: 10 5.363 1.593 0.581 0.416 0.889 0.556 CB 0.872 Z: 8 7.187 1.370 0.248 0.824 1.000 0.714 CA 1.200 8 residues pruned to eliminate duplicates Z: 6 2.489 1.544 0.511 0.574 0.800 0.600 CB 0.555 5 residues pruned to eliminate duplicates Z: 13 17.343 1.818 1.135 0.606 0.917 0.500 CB 1.273 13 residues pruned to eliminate duplicates Z: 6 8.290 2.000 0.092 0.739 1.000 0.600 CB 1.370 6 residues pruned to eliminate duplicates Z: 17 17.445 1.793 0.369 0.925 1.000 0.875 CB 1.247 17 residues pruned to eliminate duplicates Z: 13 7.064 1.631 0.309 0.437 0.833 0.417 CA 1.223 13 residues pruned to eliminate duplicates Z: 10 4.787 1.680 -0.109 0.791 1.000 0.778 CB 0.826 Z: 11 8.170 1.869 0.387 0.342 1.000 0.600 CB 1.183 11 residues pruned to eliminate duplicates Z: 17 11.585 1.724 0.636 0.449 0.875 0.625 CB 1.236 17 residues pruned to eliminate duplicates Z: 28 21.555 1.834 0.585 0.645 0.963 0.778 CB 1.295 28 residues pruned to eliminate duplicates Z: 16 9.866 1.703 0.441 0.499 0.800 0.600 CB 1.300 13 residues pruned to eliminate duplicates Z: 8 5.817 1.763 0.125 0.580 0.857 0.571 N 1.198 6 residues pruned to eliminate duplicates Z: 11 17.857 1.681 0.809 0.861 1.000 0.700 N 1.364 Z: 37 19.597 1.894 0.544 0.370 0.944 0.500 CB 1.359 37 residues pruned to eliminate duplicates Z: 12 8.100 1.744 0.639 0.270 0.818 0.636 CB 1.356 9 residues pruned to eliminate duplicates Z: 16 10.283 1.790 0.475 0.593 0.867 0.733 CB 1.062 10 residues pruned to eliminate duplicates Z: 17 18.837 1.752 0.623 0.886 0.938 0.812 CB 1.275 28 residues pruned to eliminate duplicates Z: 17 23.832 2.015 0.606 0.856 0.938 0.688 CB 1.449 17 residues pruned to eliminate duplicates Z: 21 17.687 1.918 0.822 0.464 0.900 0.600 CB 1.304 21 residues pruned to eliminate duplicates Z: 18 18.059 1.759 0.496 0.879 0.941 0.588 CA 1.283 18 residues pruned to eliminate duplicates Z: 16 18.691 1.741 0.575 0.892 0.933 0.867 N 1.354 16 residues pruned to eliminate duplicates Z: 18 13.357 1.659 0.236 0.922 1.000 0.882 CA 1.111 18 residues pruned to eliminate duplicates Z: 9 2.496 1.462 0.608 0.724 0.750 0.625 CB 0.409 Z: 20 11.008 1.811 0.304 0.628 0.895 0.579 CB 1.060 20 residues pruned to eliminate duplicates Z: 7 2.652 1.409 0.387 0.348 0.833 0.500 CB 0.785 4 residues pruned to eliminate duplicates Z: 13 17.383 1.750 0.899 0.623 0.917 0.583 CB 1.467 13 residues pruned to eliminate duplicates Z: 12 11.398 2.181 0.493 0.334 0.909 0.545 CB 1.392 12 residues pruned to eliminate duplicates Z: 19 12.194 1.658 0.364 0.841 0.833 0.722 CA 1.137 19 residues pruned to eliminate duplicates Z: 18 17.392 1.943 0.466 0.856 0.941 0.765 CB 1.160 18 residues pruned to eliminate duplicates Z: 7 11.005 1.710 0.440 0.886 1.000 1.000 CB 1.318 7 residues pruned to eliminate duplicates Z: 11 10.253 1.812 0.307 0.798 0.900 0.700 CB 1.172 11 residues pruned to eliminate duplicates Z: 12 6.798 1.609 0.580 0.370 0.727 0.455 CB 1.274 12 residues pruned to eliminate duplicates Z: 13 12.865 1.621 0.817 0.797 0.750 0.583 O 1.295 13 residues pruned to eliminate duplicates Z: 12 13.148 1.729 0.713 0.717 0.818 0.727 CB 1.345 Z: 6 3.485 1.663 0.361 0.432 0.800 0.400 CB 0.924 Z: 19 19.419 1.860 0.363 0.868 1.000 0.667 CB 1.319 19 residues pruned to eliminate duplicates Z: 27 13.267 1.910 0.473 0.347 0.808 0.500 CB 1.351 27 residues pruned to eliminate duplicates Z: 26 19.226 1.803 0.556 0.700 0.960 0.600 CB 1.189 26 residues pruned to eliminate duplicates Z: 37 21.056 1.842 0.549 0.545 0.944 0.583 CB 1.246 39 residues pruned to eliminate duplicates Z: 8 2.947 1.335 0.565 0.315 0.857 0.571 N 0.763 Z: 8 5.233 1.735 1.166 0.430 0.857 0.571 CB 0.661 5 residues pruned to eliminate duplicates Z: 6 3.637 1.752 0.499 0.529 0.600 0.200 CB 1.003 6 residues pruned to eliminate duplicates Z: 6 3.617 1.156 0.360 0.766 1.000 0.800 N 0.812 Z: 8 3.622 1.588 0.636 0.256 0.857 0.571 CB 0.813 Z: 8 3.872 1.482 0.420 0.504 0.714 0.571 CB 0.969 8 residues pruned to eliminate duplicates Z: 18 21.486 1.860 0.504 0.928 1.000 0.941 CB 1.305 18 residues pruned to eliminate duplicates Z: 7 3.393 1.555 0.471 0.315 0.833 0.500 CB 0.892 Z: 15 14.235 1.894 0.412 0.931 1.000 0.857 CB 0.994 15 residues pruned to eliminate duplicates Z: 7 2.139 1.193 0.536 0.247 0.833 0.500 N 0.765 6 1.049 1.155 0.414 0.360 0.800 0.400 CB 0.417 ? Z: 17 26.113 1.993 0.645 0.883 0.938 0.750 CA 1.535 22 residues pruned to eliminate duplicates Z: 8 3.361 1.496 0.049 0.574 0.714 0.429 CB 1.055 Z: 7 7.978 1.676 0.215 0.766 1.000 0.833 CA 1.264 7 residues pruned to eliminate duplicates Z: 8 3.387 1.230 0.496 0.693 0.857 0.714 N 0.680 Z: 9 4.280 1.670 0.324 0.165 0.875 0.375 CA 1.175 9 residues pruned to eliminate duplicates Z: 18 7.397 1.684 0.245 0.505 0.824 0.706 CB 1.034 17 residues pruned to eliminate duplicates Z: 17 15.449 1.947 0.558 0.832 0.938 0.688 CB 1.019 17 residues pruned to eliminate duplicates Z: 7 13.888 1.865 0.790 0.657 1.000 0.833 CB 1.467 9 residues pruned to eliminate duplicates Z: 6 3.524 1.691 0.653 0.544 0.600 0.600 CB 0.899 Z: 19 11.646 1.670 0.429 0.584 0.944 0.667 CB 1.124 19 residues pruned to eliminate duplicates Z: 16 15.296 1.707 0.570 0.812 1.000 0.667 CB 1.124 16 residues pruned to eliminate duplicates Z: 16 19.422 2.023 0.388 0.824 0.933 0.667 CB 1.445 16 residues pruned to eliminate duplicates Z: 8 5.220 1.815 -0.024 0.781 1.000 0.857 CB 0.869 Z: 8 4.438 1.709 0.514 0.399 0.857 0.714 CB 0.841 Z: 9 3.406 1.401 0.747 0.328 0.625 0.500 CB 0.951 Z: 10 16.281 1.814 0.415 0.915 1.000 1.000 CA 1.494 10 residues pruned to eliminate duplicates Z: 20 30.290 1.968 0.739 0.884 1.000 0.737 CB 1.467 20 residues pruned to eliminate duplicates Z: 6 2.200 1.359 0.236 0.430 0.800 0.400 N 0.787 Z: 8 8.286 1.660 0.228 0.861 1.000 0.857 CA 1.129 8 residues pruned to eliminate duplicates Z: 29 20.040 1.804 0.750 0.495 0.857 0.500 N 1.407 29 residues pruned to eliminate duplicates Z: 26 22.516 1.921 0.934 0.486 0.880 0.560 CB 1.397 26 residues pruned to eliminate duplicates Z: 25 14.537 2.014 0.670 0.318 0.792 0.417 CB 1.361 25 residues pruned to eliminate duplicates Z: 11 3.271 1.544 0.142 0.398 0.800 0.300 CB 0.817 Z: 11 4.147 1.612 0.355 0.332 0.700 0.300 CB 1.031 11 residues pruned to eliminate duplicates Z: 18 26.202 2.021 0.665 0.770 1.000 0.765 CA 1.487 18 residues pruned to eliminate duplicates Z: 14 4.739 1.460 0.752 0.207 0.615 0.308 N 1.181 Z: 8 9.150 1.727 0.927 0.572 0.714 0.571 CB 1.357 7 residues pruned to eliminate duplicates Z: 16 18.273 1.987 0.687 0.604 0.933 0.733 CB 1.366 16 residues pruned to eliminate duplicates Z: 13 16.148 1.928 0.903 0.864 0.833 0.583 CB 1.118 13 residues pruned to eliminate duplicates Z: 7 3.458 1.670 -0.042 0.535 0.833 0.833 CB 1.023 8 residues pruned to eliminate duplicates Z: 35 27.420 1.943 0.557 0.665 1.000 0.618 CB 1.334 42 residues pruned to eliminate duplicates Z: 11 5.818 1.329 0.777 0.499 0.800 0.300 CA 0.974 Z: 9 4.796 1.667 0.191 0.805 1.000 0.875 CB 0.655 Z: 8 7.274 1.769 0.478 0.503 0.857 0.714 CB 1.222 Z: 8 2.275 1.460 0.470 0.306 0.571 0.429 CB 0.869 Z: 7 5.562 1.692 0.479 0.776 0.500 0.333 CB 1.421 8 residues pruned to eliminate duplicates Z: 16 25.298 2.027 0.677 0.874 1.000 0.667 CA 1.399 16 residues pruned to eliminate duplicates Z: 18 19.423 1.662 0.666 0.935 1.000 0.941 CA 1.185 17 residues pruned to eliminate duplicates Z: 15 6.960 1.552 0.477 0.570 0.786 0.643 CB 0.965 15 residues pruned to eliminate duplicates Z: 13 17.482 1.875 0.602 0.868 0.917 0.750 CB 1.339 13 residues pruned to eliminate duplicates Z: 9 9.856 1.818 0.583 0.509 0.875 0.625 CB 1.372 9 residues pruned to eliminate duplicates Z: 9 7.973 1.627 0.841 0.622 0.875 0.625 N 0.959 9 residues pruned to eliminate duplicates Z: 6 2.704 1.537 0.431 0.473 0.600 0.400 CB 0.943 6 0.652 1.372 0.528 0.300 0.800 0.400 CB 0.217 ? Z: 9 12.470 1.682 0.626 0.895 1.000 1.000 CA 1.156 9 residues pruned to eliminate duplicates Z: 9 5.560 1.551 0.464 0.411 0.875 0.750 CB 1.086 6 residues pruned to eliminate duplicates Z: 7 4.724 1.005 1.180 0.820 1.000 0.667 N 0.667 Z: 50 24.219 1.984 0.562 0.451 0.816 0.592 CB 1.437 50 residues pruned to eliminate duplicates Z: 9 5.114 1.552 0.486 0.765 1.000 0.750 CB 0.620 Z: 38 15.231 1.897 0.508 0.343 0.892 0.568 CB 1.164 38 residues pruned to eliminate duplicates Z: 6 8.253 1.617 0.917 0.678 1.000 0.800 CB 1.011 5 residues pruned to eliminate duplicates Z: 8 2.582 1.419 0.299 0.411 0.857 0.429 CB 0.678 Z: 12 9.283 1.660 0.465 0.917 1.000 0.909 CB 0.812 11 residues pruned to eliminate duplicates Z: 7 2.661 1.447 0.267 0.378 0.667 0.333 CB 1.013 Z: 14 12.521 1.812 0.437 0.550 0.923 0.538 CB 1.376 14 residues pruned to eliminate duplicates Z: 6 4.163 1.285 0.435 0.884 1.000 1.000 CB 0.730 Z: 14 16.204 1.738 0.607 0.905 0.923 0.692 CA 1.240 14 residues pruned to eliminate duplicates Z: 8 6.718 1.447 0.587 0.845 0.714 0.429 CA 1.151 8 residues pruned to eliminate duplicates Z: 6 2.440 1.516 0.221 0.467 0.800 0.400 CB 0.762 6 1.885 1.543 0.479 0.631 0.800 0.800 CB 0.408 ? Z: 8 2.825 1.546 0.874 0.634 1.000 0.571 CB 0.325 Z: 8 4.530 1.534 0.381 0.495 0.857 0.714 N 0.948 8 residues pruned to eliminate duplicates Z: 8 3.080 1.090 0.769 0.327 0.857 0.429 CA 0.851 9 residues pruned to eliminate duplicates Z: 9 7.689 1.545 0.591 0.587 1.000 0.750 CB 1.017 Z: 17 19.599 1.735 0.794 0.869 0.938 0.750 CA 1.227 17 residues pruned to eliminate duplicates Z: 12 15.643 1.732 0.590 0.780 1.000 0.545 CB 1.338 18 residues pruned to eliminate duplicates Z: 7 3.589 1.432 0.311 0.379 1.000 0.500 N 0.888 7 1.039 1.355 0.679 0.478 0.667 0.500 CB 0.286 ? Z: 7 2.518 1.598 -0.414 0.659 1.000 0.833 CB 0.948 Z: 10 3.450 1.525 0.160 0.188 0.889 0.333 O 1.063 8 residues pruned to eliminate duplicates Z: 9 8.056 1.717 0.098 0.884 1.000 0.875 CB 1.092 17 residues pruned to eliminate duplicates Z: 60 25.320 2.030 0.535 0.374 0.864 0.576 CB 1.401 60 residues pruned to eliminate duplicates Z: 8 3.370 1.523 0.038 0.637 1.000 0.714 CB 0.708 Z: 16 12.095 1.727 0.813 0.508 0.800 0.667 CB 1.237 14 residues pruned to eliminate duplicates Z: 12 12.633 1.892 0.722 0.506 0.818 0.545 CB 1.421 12 residues pruned to eliminate duplicates Z: 10 10.014 1.635 0.256 0.789 1.000 0.667 CB 1.261 10 residues pruned to eliminate duplicates Z: 21 10.086 1.632 0.616 0.431 0.700 0.450 CA 1.313 21 residues pruned to eliminate duplicates Z: 7 9.851 1.705 0.287 0.892 1.000 0.833 N 1.317 7 residues pruned to eliminate duplicates Z: 11 8.789 1.733 0.427 0.749 0.900 0.700 CB 1.000 11 residues pruned to eliminate duplicates Z: 10 5.095 1.457 0.404 0.517 1.000 0.333 CB 0.817 Z: 8 3.418 1.379 0.794 0.390 0.571 0.429 N 1.027 8 residues pruned to eliminate duplicates Z: 10 8.001 1.723 0.396 0.902 0.889 0.889 CA 0.890 10 residues pruned to eliminate duplicates Z: 6 4.069 1.746 0.228 0.434 0.800 0.600 CB 1.136 Z: 14 19.278 1.812 0.903 0.705 0.923 0.769 N 1.394 15 residues pruned to eliminate duplicates Z: 15 10.078 1.677 0.475 0.608 0.929 0.429 N 1.058 15 residues pruned to eliminate duplicates Z: 10 4.322 1.488 0.523 0.346 0.778 0.444 CB 0.967 Z: 6 5.367 1.617 0.167 0.706 0.800 0.600 O 1.318 6 1.730 1.183 0.154 0.461 0.800 0.800 O 0.737 ? Z: 13 9.845 1.749 0.775 0.447 0.833 0.583 CB 1.160 Z: 11 7.179 1.554 0.344 0.747 1.000 0.800 CB 0.872 11 residues pruned to eliminate duplicates Z: 8 3.818 1.577 0.389 0.394 0.714 0.286 CB 1.031 Z: 32 24.032 1.837 0.598 0.662 1.000 0.742 CB 1.265 32 residues pruned to eliminate duplicates Z: 8 7.291 1.654 0.534 0.879 1.000 0.714 CB 0.788 8 residues pruned to eliminate duplicates 6 1.399 1.187 0.143 0.368 0.800 0.600 CB 0.664 ? Z: 6 3.240 1.484 0.253 0.569 0.800 0.600 CB 0.911 6 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 8.869 1.962 0.560 0.593 0.833 0.500 CB 1.299 7 residues pruned to eliminate duplicates Z: 6 2.616 1.387 0.599 0.304 1.000 0.800 CB 0.656 6 residues pruned to eliminate duplicates Z: 6 4.705 1.852 0.587 0.517 0.800 0.600 CB 0.880 6 residues pruned to eliminate duplicates Z: 7 7.410 1.797 0.461 0.630 1.000 0.667 CB 1.020 Z: 6 6.573 1.584 0.674 0.447 1.000 0.600 CA 1.171 6 residues pruned to eliminate duplicates Z: 9 4.052 1.584 0.666 0.453 0.750 0.625 CB 0.759 9 residues pruned to eliminate duplicates Z: 15 23.626 1.890 0.831 0.871 0.929 0.929 CB 1.433 15 residues pruned to eliminate duplicates Z: 32 30.603 1.876 0.815 0.719 0.968 0.774 CB 1.369 32 residues pruned to eliminate duplicates Z: 14 24.188 1.920 0.846 0.793 1.000 0.692 CA 1.464 14 residues pruned to eliminate duplicates Z: 14 21.575 1.895 0.810 0.789 0.923 0.692 CB 1.467 14 residues pruned to eliminate duplicates Z: 14 21.041 1.907 0.691 0.778 0.923 0.769 CA 1.534 14 residues pruned to eliminate duplicates Z: 15 22.235 1.877 0.749 0.728 1.000 0.714 CA 1.473 15 residues pruned to eliminate duplicates Z: 14 20.753 1.878 0.783 0.785 0.923 0.692 CA 1.449 14 residues pruned to eliminate duplicates Z: 31 26.643 1.866 0.763 0.698 0.900 0.667 CB 1.371 31 residues pruned to eliminate duplicates Z: 11 15.945 1.826 0.780 0.816 0.900 0.500 CB 1.310 11 residues pruned to eliminate duplicates Z: 19 14.898 1.737 0.615 0.556 0.889 0.611 CA 1.334 19 residues pruned to eliminate duplicates Z: 15 22.574 1.846 0.895 0.868 0.929 0.786 CA 1.358 15 residues pruned to eliminate duplicates Z: 15 24.701 1.869 0.824 0.866 1.000 0.571 CB 1.418 15 residues pruned to eliminate duplicates Z: 29 35.364 1.959 0.726 0.787 1.000 0.821 CB 1.536 29 residues pruned to eliminate duplicates Z: 30 34.830 1.959 0.782 0.749 1.000 0.793 CB 1.484 30 residues pruned to eliminate duplicates Z: 28 26.417 1.940 0.741 0.669 0.963 0.593 CB 1.337 26 residues pruned to eliminate duplicates Z: 20 18.647 1.833 0.780 0.705 0.895 0.474 CB 1.217 20 residues pruned to eliminate duplicates Z: 14 23.070 2.058 0.900 0.637 0.923 0.846 CB 1.560 14 residues pruned to eliminate duplicates Z: 14 21.654 2.068 0.740 0.626 1.000 0.769 CB 1.482 14 residues pruned to eliminate duplicates Z: 14 18.357 1.941 0.737 0.668 0.923 0.769 N 1.401 14 residues pruned to eliminate duplicates Z: 15 14.435 1.955 0.745 0.652 0.857 0.786 CB 1.146 15 residues pruned to eliminate duplicates Z: 32 27.517 1.905 0.796 0.666 0.903 0.710 CB 1.371 32 residues pruned to eliminate duplicates Z: 16 17.604 1.948 0.708 0.584 1.000 0.800 CB 1.260 16 residues pruned to eliminate duplicates Z: 13 23.179 2.060 0.991 0.686 0.917 0.750 CB 1.501 13 residues pruned to eliminate duplicates Z: 22 18.717 1.908 0.741 0.564 0.905 0.714 CB 1.277 22 residues pruned to eliminate duplicates Z: 23 18.807 1.914 0.652 0.598 0.864 0.682 CB 1.338 23 residues pruned to eliminate duplicates Z: 21 20.091 1.896 0.747 0.603 0.900 0.650 CB 1.367 21 residues pruned to eliminate duplicates Z: 20 20.792 1.932 0.639 0.599 1.000 0.684 N 1.370 20 residues pruned to eliminate duplicates Z: 20 16.066 1.891 0.362 0.561 1.000 0.737 CB 1.349 20 residues pruned to eliminate duplicates Z: 18 11.193 1.711 0.612 0.381 0.824 0.471 CB 1.356 18 residues pruned to eliminate duplicates Z: 12 8.716 1.608 0.908 0.562 0.727 0.636 CB 1.109 12 residues pruned to eliminate duplicates Z: 32 28.536 1.916 0.883 0.726 0.903 0.710 CB 1.284 32 residues pruned to eliminate duplicates Z: 11 12.614 1.794 0.819 0.599 0.900 0.500 CB 1.237 11 residues pruned to eliminate duplicates Z: 38 20.446 1.853 0.537 0.577 0.919 0.676 CB 1.193 38 residues pruned to eliminate duplicates Z: 44 27.734 1.837 0.655 0.657 0.930 0.674 CB 1.292 44 residues pruned to eliminate duplicates Z: 25 14.856 1.810 0.440 0.500 0.917 0.625 CB 1.270 25 residues pruned to eliminate duplicates Z: 26 16.237 1.832 0.441 0.534 0.960 0.560 CB 1.240 26 residues pruned to eliminate duplicates Z: 23 13.261 1.844 0.403 0.508 0.864 0.545 CB 1.255 23 residues pruned to eliminate duplicates Z: 43 23.408 1.883 0.580 0.503 0.929 0.595 CB 1.303 43 residues pruned to eliminate duplicates Z: 33 17.082 1.803 0.519 0.506 0.906 0.531 CB 1.209 33 residues pruned to eliminate duplicates Z: 15 5.747 1.644 0.464 0.256 0.857 0.429 CB 0.985 15 residues pruned to eliminate duplicates Z: 6 9.001 1.899 0.496 0.642 0.800 0.600 CB 1.550 6 residues pruned to eliminate duplicates Z: 11 4.856 1.700 0.254 0.309 0.800 0.400 CB 1.112 11 residues pruned to eliminate duplicates Z: 15 17.844 1.938 0.581 0.643 1.000 0.714 CB 1.361 15 residues pruned to eliminate duplicates Z: 17 16.204 1.911 0.598 0.569 0.875 0.625 CB 1.419 17 residues pruned to eliminate duplicates Z: 38 23.640 1.874 0.756 0.566 0.919 0.541 CB 1.206 38 residues pruned to eliminate duplicates Z: 12 15.198 1.844 0.626 0.659 1.000 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 19 12.994 1.838 0.559 0.488 1.000 0.611 CB 1.082 19 residues pruned to eliminate duplicates Z: 25 16.429 1.964 0.378 0.583 0.917 0.583 CB 1.248 25 residues pruned to eliminate duplicates Z: 29 15.483 1.861 0.507 0.561 0.857 0.607 CB 1.147 29 residues pruned to eliminate duplicates Z: 19 20.117 1.927 0.718 0.667 0.944 0.667 CB 1.300 19 residues pruned to eliminate duplicates Z: 28 15.742 1.916 0.573 0.533 0.852 0.593 CB 1.143 28 residues pruned to eliminate duplicates Z: 31 20.158 1.892 0.603 0.577 0.933 0.633 CB 1.207 31 residues pruned to eliminate duplicates Z: 18 16.189 1.954 0.592 0.550 0.882 0.471 CB 1.362 18 residues pruned to eliminate duplicates Z: 10 10.026 1.900 1.017 0.428 0.667 0.444 CB 1.410 10 residues pruned to eliminate duplicates Z: 17 18.751 2.042 0.696 0.544 0.875 0.500 CB 1.482 17 residues pruned to eliminate duplicates Z: 19 13.661 1.974 0.453 0.486 0.833 0.500 CB 1.366 19 residues pruned to eliminate duplicates Z: 18 15.838 1.971 0.515 0.480 0.941 0.529 CB 1.394 18 residues pruned to eliminate duplicates Z: 28 20.512 1.933 0.683 0.582 0.926 0.667 CB 1.210 28 residues pruned to eliminate duplicates Z: 19 18.256 1.993 0.687 0.554 0.889 0.611 CB 1.366 19 residues pruned to eliminate duplicates Z: 21 16.719 1.950 0.699 0.455 0.900 0.550 CB 1.313 21 residues pruned to eliminate duplicates Z: 31 15.847 1.869 0.570 0.462 0.900 0.533 CB 1.139 31 residues pruned to eliminate duplicates Z: 20 17.119 1.972 0.645 0.458 0.947 0.474 CB 1.334 20 residues pruned to eliminate duplicates Z: 19 18.442 1.988 0.747 0.517 0.889 0.556 CB 1.385 19 residues pruned to eliminate duplicates Z: 20 17.361 1.984 0.603 0.471 0.895 0.474 CB 1.442 20 residues pruned to eliminate duplicates Z: 33 27.440 1.911 0.475 0.659 1.000 0.781 CB 1.485 33 residues pruned to eliminate duplicates Z: 32 32.512 1.962 0.648 0.678 1.000 0.806 CB 1.534 32 residues pruned to eliminate duplicates Z: 23 18.130 1.793 0.549 0.525 0.955 0.636 CA 1.422 23 residues pruned to eliminate duplicates Z: 7 13.148 1.733 0.516 0.839 1.000 0.667 CB 1.525 7 residues pruned to eliminate duplicates Z: 31 18.901 1.820 0.533 0.567 0.900 0.733 CB 1.288 31 residues pruned to eliminate duplicates Z: 28 20.535 1.856 0.510 0.588 0.926 0.667 CB 1.400 28 residues pruned to eliminate duplicates Z: 37 24.810 1.936 0.509 0.613 0.917 0.778 CB 1.387 37 residues pruned to eliminate duplicates Z: 41 25.111 1.886 0.733 0.585 0.875 0.675 CB 1.280 63 residues pruned to eliminate duplicates Z: 20 23.731 2.007 0.440 0.875 1.000 0.947 CA 1.370 20 residues pruned to eliminate duplicates Z: 44 30.199 1.926 0.640 0.563 0.930 0.698 CB 1.474 47 residues pruned to eliminate duplicates Z: 20 22.789 1.979 0.447 0.875 1.000 0.842 CA 1.328 20 residues pruned to eliminate duplicates Z: 34 30.487 1.963 0.669 0.633 0.970 0.848 CB 1.473 34 residues pruned to eliminate duplicates Z: 36 25.951 1.916 0.489 0.651 1.000 0.800 CB 1.336 36 residues pruned to eliminate duplicates Z: 35 28.265 1.967 0.616 0.581 0.941 0.794 CB 1.498 35 residues pruned to eliminate duplicates Z: 35 30.292 1.963 0.602 0.656 1.000 0.824 CB 1.429 35 residues pruned to eliminate duplicates Z: 41 30.797 1.965 0.728 0.557 0.925 0.650 CB 1.466 41 residues pruned to eliminate duplicates Z: 36 30.236 1.975 0.628 0.671 0.971 0.743 CB 1.397 36 residues pruned to eliminate duplicates Z: 45 32.363 1.959 0.716 0.616 0.955 0.705 CB 1.362 45 residues pruned to eliminate duplicates Z: 37 29.848 1.925 0.624 0.665 0.972 0.778 CB 1.405 37 residues pruned to eliminate duplicates Z: 36 27.449 1.939 0.582 0.646 0.971 0.543 CB 1.359 36 residues pruned to eliminate duplicates Z: 61 34.765 1.889 0.739 0.547 0.933 0.600 CB 1.398 61 residues pruned to eliminate duplicates Z: 46 33.023 1.919 0.645 0.578 0.978 0.689 CB 1.480 46 residues pruned to eliminate duplicates Z: 36 30.999 1.916 0.623 0.655 1.000 0.714 CB 1.458 36 residues pruned to eliminate duplicates Z: 32 32.240 1.992 0.815 0.661 0.968 0.710 CB 1.426 32 residues pruned to eliminate duplicates Z: 33 29.250 1.927 0.744 0.629 1.000 0.625 CB 1.362 33 residues pruned to eliminate duplicates Z: 44 31.886 1.937 0.714 0.583 0.953 0.651 CB 1.418 44 residues pruned to eliminate duplicates Z: 35 28.981 1.951 0.747 0.629 0.971 0.706 CB 1.332 35 residues pruned to eliminate duplicates Z: 33 25.809 1.950 0.658 0.611 0.938 0.656 CB 1.354 33 residues pruned to eliminate duplicates Z: 36 27.213 1.911 0.706 0.600 0.914 0.486 CA 1.404 36 residues pruned to eliminate duplicates Z: 42 30.384 1.922 0.803 0.580 0.902 0.610 CB 1.405 42 residues pruned to eliminate duplicates Z: 44 27.013 1.873 0.661 0.620 0.884 0.535 CB 1.337 44 residues pruned to eliminate duplicates Z: 9 12.567 1.806 0.817 0.540 0.875 0.750 CB 1.488 Z: 6 5.337 1.401 0.643 0.361 1.000 0.600 C 1.205 Z: 7 4.562 1.471 1.312 0.282 0.833 0.333 CA 0.841 Z: 6 5.576 1.680 1.060 0.302 0.800 0.400 CB 1.122 13 residues pruned to eliminate duplicates Z: 29 19.661 1.862 0.729 0.416 0.893 0.464 CB 1.411 29 residues pruned to eliminate duplicates Z: 17 19.049 1.895 0.803 0.556 0.875 0.562 CB 1.509 17 residues pruned to eliminate duplicates Z: 20 20.867 1.908 0.921 0.538 0.895 0.632 CB 1.407 20 residues pruned to eliminate duplicates Z: 17 18.651 1.789 0.857 0.571 0.938 0.562 N 1.398 Z: 6 4.385 1.573 1.138 0.200 0.800 0.200 CA 1.041 6 residues pruned to eliminate duplicates Z: 26 20.194 1.941 0.852 0.512 0.840 0.560 CB 1.322 26 residues pruned to eliminate duplicates Z: 20 20.102 1.974 0.992 0.494 0.789 0.579 CB 1.495 20 residues pruned to eliminate duplicates Z: 27 21.838 1.937 0.774 0.499 0.885 0.423 CB 1.411 27 residues pruned to eliminate duplicates Z: 28 21.174 1.964 0.603 0.526 0.889 0.519 CB 1.420 28 residues pruned to eliminate duplicates Z: 10 14.719 1.968 0.853 0.619 0.889 0.556 CB 1.352 10 residues pruned to eliminate duplicates Z: 24 18.616 1.963 0.434 0.564 0.870 0.609 CB 1.490 24 residues pruned to eliminate duplicates Z: 22 17.616 1.917 0.609 0.617 0.905 0.714 CB 1.233 22 residues pruned to eliminate duplicates Z: 21 18.983 1.915 0.598 0.739 0.950 0.700 CB 1.178 21 residues pruned to eliminate duplicates Z: 11 15.059 1.942 0.639 0.664 1.000 0.800 CB 1.285 Z: 6 3.289 1.247 0.597 0.474 0.800 0.800 N 0.948 6 residues pruned to eliminate duplicates Z: 27 19.774 1.854 0.759 0.586 0.885 0.654 CB 1.238 27 residues pruned to eliminate duplicates Z: 12 11.898 1.925 0.546 0.799 1.000 0.727 CB 0.928 13 residues pruned to eliminate duplicates Z: 14 21.494 1.966 0.784 0.904 1.000 0.692 CA 1.211 14 residues pruned to eliminate duplicates Z: 13 20.932 2.059 0.714 0.918 0.917 0.833 CA 1.318 13 residues pruned to eliminate duplicates Z: 14 22.658 2.022 0.951 0.926 0.846 0.846 CB 1.320 14 residues pruned to eliminate duplicates Z: 13 20.798 1.959 0.930 0.852 0.917 0.750 CB 1.282 13 residues pruned to eliminate duplicates Z: 16 16.445 1.892 0.617 0.794 0.933 0.733 CB 1.149 16 residues pruned to eliminate duplicates Z: 14 25.759 1.998 0.926 0.901 1.000 0.846 CB 1.326 14 residues pruned to eliminate duplicates Z: 14 25.458 2.014 0.919 0.900 1.000 0.846 CA 1.305 14 residues pruned to eliminate duplicates Z: 14 24.613 2.017 0.939 0.883 1.000 0.615 CB 1.262 14 residues pruned to eliminate duplicates Z: 14 23.345 2.016 0.881 0.876 1.000 0.769 CB 1.241 14 residues pruned to eliminate duplicates Z: 14 21.254 2.005 0.930 0.922 0.846 0.846 CB 1.266 14 residues pruned to eliminate duplicates Z: 14 22.494 2.023 0.903 0.907 0.923 0.769 CB 1.248 14 residues pruned to eliminate duplicates Z: 14 26.507 2.019 0.997 0.934 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 54 25.830 1.934 0.478 0.460 0.887 0.566 CB 1.458 54 residues pruned to eliminate duplicates Z: 7 12.029 1.882 0.586 0.589 1.000 0.667 CB 1.511 8 residues pruned to eliminate duplicates Z: 7 2.827 1.376 0.757 0.343 0.667 0.500 CB 0.849 7 residues pruned to eliminate duplicates Z: 14 14.970 1.834 0.574 0.602 0.923 0.538 CB 1.414 14 residues pruned to eliminate duplicates Z: 22 9.886 1.725 0.516 0.384 0.762 0.333 CB 1.226 22 residues pruned to eliminate duplicates Z: 9 8.394 1.849 0.739 0.440 0.875 0.500 CA 1.122 9 residues pruned to eliminate duplicates Z: 12 6.509 1.825 0.397 0.397 0.818 0.636 CB 1.049 12 residues pruned to eliminate duplicates Z: 22 15.239 1.827 0.769 0.529 0.810 0.619 CB 1.236 24 residues pruned to eliminate duplicates Z: 9 8.632 1.730 0.411 0.788 0.875 0.750 CB 1.109 9 residues pruned to eliminate duplicates Z: 18 13.244 1.754 0.496 0.526 1.000 0.412 CB 1.193 18 residues pruned to eliminate duplicates Z: 18 12.250 1.708 0.709 0.569 0.882 0.412 CB 1.079 18 residues pruned to eliminate duplicates Z: 21 12.502 1.832 0.557 0.526 0.850 0.550 CB 1.124 21 residues pruned to eliminate duplicates Z: 24 9.785 1.781 0.479 0.391 0.739 0.391 CB 1.177 24 residues pruned to eliminate duplicates Z: 8 5.082 1.766 0.177 0.321 1.000 0.143 CB 1.125 8 residues pruned to eliminate duplicates Z: 20 12.014 1.760 0.562 0.441 0.895 0.316 CB 1.190 20 residues pruned to eliminate duplicates Z: 8 4.355 1.765 0.151 0.327 0.857 0.143 CB 1.142 8 residues pruned to eliminate duplicates Z: 19 12.705 1.657 0.730 0.439 0.833 0.278 CB 1.335 19 residues pruned to eliminate duplicates Z: 10 6.375 1.754 0.366 0.381 1.000 0.333 CB 1.007 11 residues pruned to eliminate duplicates Z: 17 18.355 1.726 0.604 0.911 0.938 0.688 N 1.253 16 residues pruned to eliminate duplicates Z: 16 22.900 1.764 0.722 0.923 1.000 0.600 N 1.369 16 residues pruned to eliminate duplicates Z: 14 14.649 1.641 0.715 0.635 0.923 0.615 N 1.378 14 residues pruned to eliminate duplicates Z: 12 16.887 1.859 0.850 0.722 0.909 0.636 N 1.333 13 residues pruned to eliminate duplicates Z: 16 22.727 1.770 0.830 0.896 0.933 0.600 CA 1.390 16 residues pruned to eliminate duplicates Z: 12 15.181 1.719 0.827 0.749 0.909 0.636 N 1.283 12 residues pruned to eliminate duplicates Z: 24 11.492 1.572 0.597 0.515 0.783 0.522 CB 1.201 24 residues pruned to eliminate duplicates Z: 14 23.249 1.844 0.888 0.923 0.923 0.462 CA 1.410 14 residues pruned to eliminate duplicates Z: 17 22.772 1.723 0.801 0.927 1.000 0.500 N 1.285 17 residues pruned to eliminate duplicates Z: 16 22.983 1.807 0.818 0.830 0.933 0.800 N 1.455 16 residues pruned to eliminate duplicates Z: 20 18.108 1.697 0.737 0.677 0.842 0.632 N 1.422 20 residues pruned to eliminate duplicates Z: 15 22.391 1.837 0.878 0.891 0.857 0.429 CB 1.455 15 residues pruned to eliminate duplicates Z: 16 24.254 1.783 0.952 0.899 0.933 0.667 CA 1.378 16 residues pruned to eliminate duplicates Z: 26 13.816 1.890 0.320 0.433 0.880 0.560 CB 1.349 37 residues pruned to eliminate duplicates Z: 12 8.013 2.036 0.240 0.339 0.818 0.545 CB 1.394 12 residues pruned to eliminate duplicates Z: 27 11.974 1.834 0.325 0.412 0.808 0.538 CB 1.312 27 residues pruned to eliminate duplicates Z: 24 14.433 1.918 0.410 0.437 0.783 0.435 N 1.518 21 residues pruned to eliminate duplicates Z: 7 3.358 1.434 0.089 0.470 0.833 0.667 CA 1.086 7 residues pruned to eliminate duplicates Z: 24 16.234 1.931 0.445 0.463 0.870 0.783 CB 1.449 22 residues pruned to eliminate duplicates Z: 14 14.382 1.832 0.497 0.553 0.923 0.615 N 1.496 Z: 9 21.095 1.969 0.816 0.833 1.000 0.625 CB 1.566 11 residues pruned to eliminate duplicates Z: 11 12.973 1.762 0.652 0.805 0.900 0.800 CB 1.200 11 residues pruned to eliminate duplicates Z: 23 13.180 1.706 0.428 0.440 0.909 0.455 CB 1.351 14 residues pruned to eliminate duplicates Z: 10 19.239 1.833 0.718 0.892 1.000 0.778 N 1.463 10 residues pruned to eliminate duplicates Z: 28 15.633 1.813 0.495 0.521 0.889 0.556 CB 1.223 49 residues pruned to eliminate duplicates Z: 18 23.010 1.920 0.556 0.672 1.000 0.647 CB 1.593 18 residues pruned to eliminate duplicates Z: 26 18.644 1.853 0.610 0.463 0.920 0.480 CB 1.412 26 residues pruned to eliminate duplicates Z: 32 14.584 1.724 0.501 0.394 0.774 0.516 CA 1.463 32 residues pruned to eliminate duplicates Z: 26 15.798 1.854 0.578 0.460 0.840 0.640 CB 1.339 26 residues pruned to eliminate duplicates Z: 7 5.407 1.593 0.361 0.691 0.833 0.667 CB 1.026 19 residues pruned to eliminate duplicates Z: 13 12.718 1.641 0.665 0.814 1.000 0.583 CB 1.022 13 residues pruned to eliminate duplicates Z: 13 8.775 1.677 0.348 0.663 1.000 0.667 CB 0.964 13 residues pruned to eliminate duplicates Z: 17 7.398 1.547 0.359 0.598 0.875 0.688 CB 0.916 17 residues pruned to eliminate duplicates Z: 10 9.084 1.755 0.405 0.883 1.000 0.778 CB 0.888 10 residues pruned to eliminate duplicates Z: 12 8.480 1.710 0.511 0.811 0.909 0.727 CB 0.830 12 residues pruned to eliminate duplicates Z: 8 8.709 1.804 0.284 0.764 1.000 0.857 CB 1.125 8 residues pruned to eliminate duplicates Z: 12 10.114 1.651 0.504 0.704 1.000 0.455 CB 1.021 12 residues pruned to eliminate duplicates Z: 10 8.323 1.579 0.504 0.776 0.889 0.556 CB 1.030 10 residues pruned to eliminate duplicates Z: 12 12.699 1.826 0.425 0.611 0.909 0.636 CB 1.457 12 residues pruned to eliminate duplicates Z: 12 11.767 1.783 0.523 0.612 0.818 0.727 N 1.436 12 residues pruned to eliminate duplicates Z: 17 9.783 1.763 0.407 0.496 0.812 0.625 CB 1.219 24 residues pruned to eliminate duplicates Z: 7 4.773 1.371 0.539 0.425 1.000 0.500 CA 0.998 8 residues pruned to eliminate duplicates Z: 6 2.638 1.195 0.780 0.453 0.800 0.800 C 0.728 Z: 6 4.131 1.497 0.469 0.392 1.000 0.400 CA 0.942 Z: 6 3.141 1.332 0.923 0.334 0.800 0.600 CA 0.821 6 residues pruned to eliminate duplicates Z: 13 10.880 1.926 0.426 0.394 1.000 0.583 CB 1.279 19 residues pruned to eliminate duplicates Z: 15 9.350 1.881 0.525 0.334 0.786 0.500 CB 1.329 15 residues pruned to eliminate duplicates Z: 15 9.449 1.870 0.437 0.348 0.929 0.500 CB 1.194 15 residues pruned to eliminate duplicates Z: 15 13.891 1.889 0.758 0.353 1.000 0.571 CB 1.310 15 residues pruned to eliminate duplicates Z: 16 10.382 1.859 0.633 0.334 0.867 0.533 CB 1.221 16 residues pruned to eliminate duplicates Z: 17 9.395 1.801 0.487 0.334 0.812 0.375 CB 1.294 17 residues pruned to eliminate duplicates Z: 17 9.652 1.812 0.562 0.288 0.875 0.500 CB 1.237 17 residues pruned to eliminate duplicates Z: 16 8.914 1.824 0.413 0.309 0.867 0.467 CB 1.273 16 residues pruned to eliminate duplicates Z: 11 7.312 1.724 0.419 0.584 0.800 0.600 CB 1.090 11 residues pruned to eliminate duplicates Z: 11 8.074 1.722 0.323 0.745 1.000 1.000 CA 0.900 11 residues pruned to eliminate duplicates Z: 25 13.420 1.725 0.531 0.607 0.792 0.500 CB 1.183 25 residues pruned to eliminate duplicates Z: 22 15.655 1.699 0.509 0.655 0.905 0.667 CB 1.275 22 residues pruned to eliminate duplicates Z: 15 12.921 1.793 0.586 0.730 0.857 0.643 CB 1.152 15 residues pruned to eliminate duplicates Z: 22 18.791 1.821 0.694 0.705 0.857 0.571 CB 1.287 22 residues pruned to eliminate duplicates Z: 23 17.330 1.806 0.678 0.711 0.864 0.591 CB 1.166 23 residues pruned to eliminate duplicates Z: 16 16.682 1.712 0.776 0.755 0.933 0.600 CB 1.210 16 residues pruned to eliminate duplicates Z: 17 18.163 1.797 0.735 0.734 0.938 0.625 CA 1.260 17 residues pruned to eliminate duplicates Z: 23 14.550 1.737 0.570 0.613 0.909 0.500 CA 1.124 23 residues pruned to eliminate duplicates Z: 22 17.754 1.803 0.561 0.737 0.905 0.667 CB 1.229 22 residues pruned to eliminate duplicates Z: 22 17.542 1.814 0.545 0.707 0.952 0.619 CB 1.188 22 residues pruned to eliminate duplicates Z: 22 17.456 1.808 0.617 0.723 0.905 0.524 CB 1.177 22 residues pruned to eliminate duplicates Z: 24 19.114 1.763 0.654 0.720 0.913 0.652 CB 1.227 24 residues pruned to eliminate duplicates Z: 8 5.903 1.683 0.146 0.568 1.000 0.571 CB 1.083 6 residues pruned to eliminate duplicates Z: 17 17.294 1.704 0.555 0.858 0.938 0.562 CB 1.281 17 residues pruned to eliminate duplicates Z: 17 16.334 1.713 0.722 0.715 0.938 0.562 CB 1.215 18 residues pruned to eliminate duplicates Z: 17 13.950 1.705 0.374 0.861 0.938 0.875 CA 1.167 17 residues pruned to eliminate duplicates Z: 34 15.772 1.689 0.443 0.604 0.909 0.485 CB 1.123 23 residues pruned to eliminate duplicates Z: 6 3.842 1.588 0.186 0.435 0.800 0.400 CB 1.219 15 residues pruned to eliminate duplicates Z: 6 2.709 1.587 -0.055 0.440 0.800 0.200 CB 1.074 6 residues pruned to eliminate duplicates Z: 38 21.881 1.846 0.611 0.541 0.946 0.703 CB 1.229 38 residues pruned to eliminate duplicates Z: 37 20.236 1.868 0.620 0.512 0.861 0.417 CB 1.279 37 residues pruned to eliminate duplicates Z: 33 23.054 1.855 0.664 0.615 0.969 0.688 CB 1.222 33 residues pruned to eliminate duplicates Z: 35 22.820 1.828 0.670 0.618 0.941 0.588 CB 1.218 35 residues pruned to eliminate duplicates Z: 31 26.061 1.898 0.706 0.641 1.000 0.567 CB 1.287 31 residues pruned to eliminate duplicates Z: 30 26.915 1.881 0.720 0.682 1.000 0.724 CB 1.307 30 residues pruned to eliminate duplicates Z: 31 25.859 1.877 0.703 0.672 0.967 0.633 CB 1.304 31 residues pruned to eliminate duplicates Z: 39 21.198 1.840 0.604 0.553 0.921 0.526 CB 1.201 39 residues pruned to eliminate duplicates Z: 48 20.715 1.771 0.478 0.556 0.915 0.638 CB 1.195 48 residues pruned to eliminate duplicates Z: 32 23.733 1.886 0.647 0.639 0.935 0.581 CB 1.288 32 residues pruned to eliminate duplicates Z: 31 23.478 1.865 0.614 0.655 0.967 0.800 CB 1.276 31 residues pruned to eliminate duplicates Z: 31 24.917 1.862 0.712 0.682 0.967 0.633 CB 1.250 31 residues pruned to eliminate duplicates Z: 32 21.258 1.861 0.514 0.622 0.935 0.613 CB 1.291 32 residues pruned to eliminate duplicates Z: 31 26.124 1.901 0.636 0.665 1.000 0.667 CB 1.317 31 residues pruned to eliminate duplicates Z: 31 27.466 1.907 0.691 0.687 1.000 0.767 CB 1.310 31 residues pruned to eliminate duplicates Z: 30 29.241 1.940 0.687 0.685 1.000 0.759 CB 1.400 30 residues pruned to eliminate duplicates Z: 29 23.943 1.905 0.489 0.706 1.000 0.893 CB 1.322 29 residues pruned to eliminate duplicates Z: 32 25.711 1.894 0.675 0.681 0.935 0.774 CB 1.318 32 residues pruned to eliminate duplicates Z: 32 28.395 1.885 0.730 0.676 0.968 0.677 CB 1.374 32 residues pruned to eliminate duplicates Z: 33 25.498 1.888 0.661 0.655 0.969 0.688 CB 1.285 33 residues pruned to eliminate duplicates Z: 34 24.874 1.831 0.731 0.661 0.970 0.788 CB 1.214 34 residues pruned to eliminate duplicates Z: 33 26.925 1.847 0.783 0.678 0.938 0.719 CB 1.309 33 residues pruned to eliminate duplicates Z: 32 26.671 1.874 0.659 0.670 1.000 0.613 CB 1.317 32 residues pruned to eliminate duplicates Z: 33 27.418 1.875 0.736 0.668 1.000 0.750 CB 1.275 33 residues pruned to eliminate duplicates Z: 33 26.341 1.847 0.775 0.655 0.969 0.781 CB 1.270 33 residues pruned to eliminate duplicates Z: 29 29.984 1.926 0.794 0.723 0.964 0.786 CB 1.391 29 residues pruned to eliminate duplicates Z: 33 25.749 1.839 0.656 0.616 0.938 0.625 CB 1.428 33 residues pruned to eliminate duplicates Z: 32 23.174 1.871 0.467 0.650 0.968 0.710 CB 1.363 32 residues pruned to eliminate duplicates Z: 33 24.785 1.841 0.594 0.667 0.938 0.812 CB 1.364 33 residues pruned to eliminate duplicates Z: 35 25.325 1.810 0.675 0.661 0.941 0.824 CB 1.311 35 residues pruned to eliminate duplicates Z: 32 26.695 1.884 0.544 0.722 1.000 0.774 CB 1.348 38 residues pruned to eliminate duplicates Z: 6 3.608 1.288 0.541 0.362 1.000 0.600 O 0.943 Z: 14 12.669 1.790 0.318 0.779 0.923 0.769 CB 1.262 14 residues pruned to eliminate duplicates Z: 18 13.058 1.752 0.445 0.607 0.882 0.824 CB 1.281 27 residues pruned to eliminate duplicates Z: 10 12.002 1.776 0.431 0.906 1.000 1.000 CB 1.120 10 residues pruned to eliminate duplicates Z: 14 16.230 1.881 0.490 0.745 1.000 0.769 CB 1.290 21 residues pruned to eliminate duplicates Z: 12 13.215 1.797 0.500 0.821 1.000 0.818 CB 1.119 12 residues pruned to eliminate duplicates Z: 12 12.160 1.846 0.573 0.634 0.727 0.545 CB 1.531 12 residues pruned to eliminate duplicates Z: 13 13.411 1.907 0.482 0.533 0.917 0.500 CB 1.446 13 residues pruned to eliminate duplicates Z: 13 12.354 1.918 0.351 0.663 0.917 0.667 CB 1.291 13 residues pruned to eliminate duplicates Z: 12 10.744 1.926 0.207 0.549 0.909 0.727 CB 1.461 12 residues pruned to eliminate duplicates Z: 13 14.412 1.882 0.549 0.571 0.917 0.583 CB 1.453 13 residues pruned to eliminate duplicates Z: 14 12.201 1.871 0.528 0.545 0.846 0.538 CB 1.339 14 residues pruned to eliminate duplicates Z: 17 13.968 1.749 0.563 0.509 1.000 0.375 CB 1.266 17 residues pruned to eliminate duplicates Z: 44 23.439 1.943 0.595 0.423 0.860 0.535 CB 1.453 44 residues pruned to eliminate duplicates Z: 14 10.921 1.844 0.722 0.463 0.692 0.462 N 1.430 14 residues pruned to eliminate duplicates Z: 15 9.818 1.773 0.363 0.514 0.857 0.429 CB 1.249 15 residues pruned to eliminate duplicates Z: 15 15.608 1.970 0.563 0.458 0.929 0.429 CA 1.523 15 residues pruned to eliminate duplicates Z: 45 22.788 1.928 0.539 0.468 0.841 0.432 CB 1.423 45 residues pruned to eliminate duplicates Z: 34 19.842 1.963 0.530 0.468 0.818 0.455 CB 1.452 34 residues pruned to eliminate duplicates Z: 40 21.435 1.854 0.601 0.432 0.846 0.462 N 1.466 40 residues pruned to eliminate duplicates Z: 46 20.870 1.919 0.467 0.411 0.822 0.489 CB 1.475 46 residues pruned to eliminate duplicates Z: 55 25.873 1.913 0.576 0.425 0.852 0.315 CB 1.483 55 residues pruned to eliminate duplicates Z: 44 24.905 1.940 0.519 0.458 0.884 0.535 CB 1.522 44 residues pruned to eliminate duplicates Z: 11 9.883 1.990 0.267 0.398 0.900 0.500 N 1.534 11 residues pruned to eliminate duplicates Z: 31 21.762 2.008 0.472 0.490 0.833 0.400 CB 1.630 31 residues pruned to eliminate duplicates Z: 11 11.379 1.994 0.476 0.478 0.800 0.400 N 1.562 11 residues pruned to eliminate duplicates Z: 25 21.235 1.970 0.652 0.589 0.875 0.583 CB 1.398 25 residues pruned to eliminate duplicates Z: 55 32.227 1.936 0.660 0.583 0.870 0.611 CB 1.449 55 residues pruned to eliminate duplicates Z: 21 16.582 2.001 0.391 0.516 0.850 0.450 CB 1.543 21 residues pruned to eliminate duplicates Z: 32 23.522 1.985 0.521 0.525 0.839 0.516 N 1.627 32 residues pruned to eliminate duplicates Z: 25 16.870 1.933 0.539 0.481 0.833 0.500 N 1.416 25 residues pruned to eliminate duplicates Z: 32 25.756 2.014 0.574 0.575 0.871 0.613 CB 1.558 32 residues pruned to eliminate duplicates Z: 13 11.237 1.784 0.598 0.640 0.750 0.417 CB 1.331 13 residues pruned to eliminate duplicates Z: 29 23.387 1.880 0.598 0.601 0.893 0.536 CB 1.497 29 residues pruned to eliminate duplicates Z: 15 18.242 1.886 0.563 0.754 0.857 0.429 CA 1.539 15 residues pruned to eliminate duplicates Z: 22 29.214 2.022 0.638 0.742 1.000 0.714 CB 1.549 22 residues pruned to eliminate duplicates Z: 11 18.991 1.977 0.871 0.726 1.000 0.400 CB 1.325 11 residues pruned to eliminate duplicates Z: 22 23.056 1.950 0.690 0.602 0.952 0.476 CB 1.455 22 residues pruned to eliminate duplicates Z: 23 20.280 1.901 0.503 0.688 0.909 0.682 CB 1.401 23 residues pruned to eliminate duplicates Z: 23 25.571 1.938 0.670 0.686 1.000 0.591 CB 1.420 23 residues pruned to eliminate duplicates Z: 22 24.279 2.011 0.574 0.679 0.905 0.667 CB 1.569 22 residues pruned to eliminate duplicates Z: 29 22.033 1.902 0.590 0.574 0.893 0.536 CB 1.437 29 residues pruned to eliminate duplicates Z: 20 29.091 1.987 0.713 0.763 1.000 0.684 CB 1.553 20 residues pruned to eliminate duplicates Z: 34 29.189 1.973 0.627 0.588 0.909 0.576 CA 1.599 34 residues pruned to eliminate duplicates Z: 9 15.837 2.001 0.538 0.655 1.000 0.500 N 1.575 9 residues pruned to eliminate duplicates Z: 23 20.392 1.926 0.658 0.665 0.818 0.545 CA 1.429 23 residues pruned to eliminate duplicates Z: 32 22.310 1.914 0.489 0.589 0.871 0.710 CB 1.483 32 residues pruned to eliminate duplicates Z: 29 26.555 1.961 0.655 0.571 0.929 0.536 CB 1.555 29 residues pruned to eliminate duplicates Z: 29 26.471 1.981 0.674 0.627 0.893 0.571 CB 1.500 29 residues pruned to eliminate duplicates Z: 34 19.833 1.847 0.466 0.478 0.879 0.606 CB 1.483 34 residues pruned to eliminate duplicates Z: 29 27.604 1.972 0.651 0.640 0.929 0.607 CB 1.515 29 residues pruned to eliminate duplicates Z: 30 25.009 1.940 0.586 0.624 0.897 0.552 CB 1.498 30 residues pruned to eliminate duplicates Z: 31 25.873 1.965 0.546 0.684 0.867 0.667 CB 1.515 31 residues pruned to eliminate duplicates Z: 33 25.006 1.917 0.562 0.590 0.906 0.531 CB 1.496 33 residues pruned to eliminate duplicates Z: 34 22.589 1.894 0.500 0.577 0.909 0.515 CB 1.414 34 residues pruned to eliminate duplicates Z: 21 14.691 1.878 0.466 0.378 0.900 0.550 CB 1.509 21 residues pruned to eliminate duplicates Z: 32 22.177 1.938 0.513 0.522 0.871 0.581 CB 1.525 32 residues pruned to eliminate duplicates Z: 36 17.269 1.955 0.562 0.354 0.886 0.543 CB 1.264 36 residues pruned to eliminate duplicates Z: 68 32.407 2.060 0.579 0.411 0.925 0.582 CB 1.445 68 residues pruned to eliminate duplicates Z: 62 24.672 2.006 0.449 0.374 0.852 0.541 CB 1.458 62 residues pruned to eliminate duplicates Z: 8 7.260 1.635 0.662 0.489 1.000 0.571 CB 1.021 8 residues pruned to eliminate duplicates Z: 33 20.000 2.069 0.552 0.301 0.938 0.531 CB 1.466 33 residues pruned to eliminate duplicates Z: 38 24.147 2.137 0.615 0.356 0.892 0.649 CB 1.507 38 residues pruned to eliminate duplicates Z: 38 25.208 2.120 0.670 0.371 0.946 0.595 CB 1.420 38 residues pruned to eliminate duplicates Z: 19 15.510 2.016 0.640 0.443 0.944 0.556 CB 1.241 19 residues pruned to eliminate duplicates Z: 40 21.934 2.113 0.578 0.373 0.846 0.538 CB 1.426 40 residues pruned to eliminate duplicates Z: 17 11.990 1.955 0.690 0.369 0.875 0.500 CB 1.193 17 residues pruned to eliminate duplicates Z: 73 34.502 2.028 0.609 0.420 0.903 0.569 CB 1.500 73 residues pruned to eliminate duplicates Z: 17 15.512 2.033 0.577 0.446 0.938 0.750 CB 1.364 17 residues pruned to eliminate duplicates Z: 73 34.888 2.033 0.657 0.466 0.875 0.597 CB 1.444 73 residues pruned to eliminate duplicates Z: 71 33.575 2.063 0.564 0.405 0.914 0.500 CB 1.504 71 residues pruned to eliminate duplicates Z: 38 23.245 2.070 0.630 0.366 0.946 0.459 CB 1.383 37 residues pruned to eliminate duplicates Z: 6 5.132 1.935 0.556 0.240 0.800 0.600 CA 1.287 6 residues pruned to eliminate duplicates Z: 29 19.488 2.066 0.526 0.290 0.964 0.464 CB 1.534 29 residues pruned to eliminate duplicates Z: 39 23.641 2.141 0.645 0.310 0.895 0.605 CB 1.502 41 residues pruned to eliminate duplicates Z: 7 11.863 2.128 0.810 0.423 1.000 0.167 CB 1.362 7 residues pruned to eliminate duplicates Z: 27 19.868 2.067 0.595 0.325 0.923 0.615 CB 1.553 27 residues pruned to eliminate duplicates Z: 72 34.848 2.055 0.590 0.413 0.930 0.606 CB 1.491 72 residues pruned to eliminate duplicates Z: 27 18.242 2.061 0.579 0.285 0.962 0.385 CB 1.457 27 residues pruned to eliminate duplicates Z: 69 35.605 2.073 0.719 0.429 0.897 0.574 CB 1.455 69 residues pruned to eliminate duplicates Z: 34 21.011 2.087 0.675 0.274 0.939 0.515 CB 1.438 30 residues pruned to eliminate duplicates Z: 6 6.848 2.098 0.336 0.388 1.000 0.600 CA 1.231 Z: 6 3.973 1.908 0.238 0.400 0.800 0.800 CB 1.044 6 residues pruned to eliminate duplicates Z: 43 25.439 2.108 0.664 0.332 0.952 0.500 CB 1.412 52 residues pruned to eliminate duplicates Z: 6 5.363 1.773 0.700 0.349 1.000 0.400 CA 0.937 6 residues pruned to eliminate duplicates Z: 10 15.265 2.166 0.656 0.636 0.889 0.667 CA 1.404 10 residues pruned to eliminate duplicates Z: 43 22.615 2.051 0.627 0.339 0.857 0.643 CB 1.454 43 residues pruned to eliminate duplicates Z: 41 23.180 2.066 0.671 0.307 0.950 0.500 CB 1.385 41 residues pruned to eliminate duplicates Z: 44 23.520 2.092 0.666 0.301 0.884 0.442 CB 1.453 44 residues pruned to eliminate duplicates Z: 8 4.061 1.689 0.469 0.350 0.857 0.714 CB 0.849 8 residues pruned to eliminate duplicates Z: 23 26.789 1.897 0.755 0.818 0.909 0.682 CB 1.431 23 residues pruned to eliminate duplicates Z: 22 22.574 1.954 0.624 0.724 0.905 0.619 CA 1.401 22 residues pruned to eliminate duplicates Z: 24 20.963 1.990 0.438 0.665 0.870 0.739 CB 1.508 24 residues pruned to eliminate duplicates Z: 25 23.275 1.921 0.418 0.691 1.000 0.708 CB 1.464 25 residues pruned to eliminate duplicates Z: 21 19.340 2.004 0.499 0.770 0.850 0.600 CA 1.334 21 residues pruned to eliminate duplicates Z: 22 21.862 1.964 0.490 0.743 0.905 0.524 CB 1.448 22 residues pruned to eliminate duplicates Z: 23 22.732 2.033 0.415 0.692 0.909 0.727 CA 1.555 23 residues pruned to eliminate duplicates Z: 24 22.067 2.018 0.328 0.758 0.913 0.696 CA 1.495 24 residues pruned to eliminate duplicates Z: 28 17.378 1.908 0.477 0.576 0.815 0.630 CA 1.353 28 residues pruned to eliminate duplicates Z: 22 25.265 1.961 0.747 0.736 0.952 0.524 CA 1.368 22 residues pruned to eliminate duplicates Z: 25 26.474 2.000 0.527 0.705 1.000 0.625 CB 1.468 19 residues pruned to eliminate duplicates Z: 17 23.435 2.045 0.518 0.858 1.000 0.750 CA 1.390 17 residues pruned to eliminate duplicates Z: 25 25.470 1.932 0.645 0.675 0.958 0.708 CB 1.452 25 residues pruned to eliminate duplicates Z: 23 24.124 2.016 0.487 0.726 0.955 0.682 CA 1.466 24 residues pruned to eliminate duplicates Z: 15 27.258 2.084 0.696 0.883 1.000 0.571 CA 1.490 15 residues pruned to eliminate duplicates Z: 24 21.466 1.981 0.462 0.666 0.913 0.652 CB 1.452 23 residues pruned to eliminate duplicates Z: 13 13.917 1.918 0.559 0.646 0.833 0.667 CB 1.407 12 residues pruned to eliminate duplicates Z: 23 22.681 1.926 0.644 0.736 0.864 0.545 CA 1.430 23 residues pruned to eliminate duplicates Z: 24 24.368 1.987 0.569 0.662 0.913 0.609 CA 1.537 24 residues pruned to eliminate duplicates Z: 26 22.421 1.905 0.636 0.696 0.920 0.600 CA 1.308 26 residues pruned to eliminate duplicates Z: 25 27.087 1.980 0.701 0.758 0.917 0.625 CA 1.424 25 residues pruned to eliminate duplicates Z: 26 25.385 1.922 0.754 0.750 0.920 0.600 CA 1.309 25 residues pruned to eliminate duplicates Z: 10 12.336 1.428 0.972 0.784 1.000 0.556 N 1.137 9 residues pruned to eliminate duplicates Z: 10 12.955 1.458 1.021 0.805 1.000 0.778 CA 1.123 10 residues pruned to eliminate duplicates Z: 6 2.981 1.413 0.557 0.258 0.800 0.600 O 0.999 Z: 14 19.142 1.818 0.978 0.589 1.000 0.538 CB 1.355 20 residues pruned to eliminate duplicates Z: 6 4.775 1.511 0.839 0.467 1.000 0.400 CB 0.795 Z: 12 19.069 1.845 1.118 0.654 1.000 0.727 CB 1.275 18 residues pruned to eliminate duplicates Z: 13 14.669 1.807 0.793 0.507 0.917 0.583 CB 1.415 13 residues pruned to eliminate duplicates Z: 14 13.445 1.771 0.928 0.479 0.923 0.615 CB 1.208 14 residues pruned to eliminate duplicates Z: 12 14.844 1.806 1.005 0.595 0.818 0.636 N 1.380 12 residues pruned to eliminate duplicates Z: 23 22.765 1.810 0.949 0.582 0.864 0.545 N 1.472 24 residues pruned to eliminate duplicates Z: 6 3.481 1.315 0.730 0.418 1.000 0.800 CA 0.746 6 residues pruned to eliminate duplicates Z: 10 16.516 1.920 0.615 0.744 1.000 0.778 CB 1.427 10 residues pruned to eliminate duplicates Z: 12 13.660 1.852 0.726 0.594 0.909 0.636 CB 1.295 12 residues pruned to eliminate duplicates Z: 12 15.954 1.929 0.542 0.734 1.000 0.727 CB 1.311 12 residues pruned to eliminate duplicates Z: 21 17.714 1.828 0.531 0.659 1.000 0.650 CB 1.222 21 residues pruned to eliminate duplicates Z: 17 14.348 1.837 0.472 0.561 0.938 0.562 CB 1.334 17 residues pruned to eliminate duplicates Z: 17 12.163 1.833 0.367 0.609 1.000 0.625 CB 1.095 17 residues pruned to eliminate duplicates Z: 11 7.925 1.694 0.389 0.442 0.900 0.500 CB 1.256 11 residues pruned to eliminate duplicates Z: 11 6.341 1.621 0.560 0.446 0.900 0.400 CB 0.932 11 residues pruned to eliminate duplicates Z: 9 10.182 1.767 0.577 0.557 1.000 0.500 CB 1.222 9 residues pruned to eliminate duplicates Z: 10 8.264 1.725 0.370 0.576 1.000 0.444 CB 1.083 10 residues pruned to eliminate duplicates Z: 9 11.277 1.803 0.501 0.634 1.000 1.000 CB 1.300 9 residues pruned to eliminate duplicates Z: 6 4.396 1.439 0.689 0.326 0.800 0.400 CA 1.224 6 residues pruned to eliminate duplicates Z: 12 6.362 1.659 0.230 0.452 0.909 0.273 CB 1.087 12 residues pruned to eliminate duplicates Z: 13 10.256 1.709 0.589 0.605 0.917 0.583 CB 1.076 13 residues pruned to eliminate duplicates Z: 13 8.578 1.697 0.434 0.540 0.833 0.583 CB 1.174 19 residues pruned to eliminate duplicates Z: 10 9.027 1.730 0.492 0.628 0.778 0.556 CB 1.328 10 residues pruned to eliminate duplicates Z: 9 7.560 1.666 0.474 0.730 0.875 0.625 CB 1.011 9 residues pruned to eliminate duplicates Z: 16 10.139 1.691 0.523 0.561 0.933 0.467 CB 1.026 12 residues pruned to eliminate duplicates Z: 10 14.071 1.649 0.842 0.883 1.000 0.778 CB 1.116 10 residues pruned to eliminate duplicates Z: 11 14.163 1.554 0.652 0.852 1.000 0.700 CA 1.290 11 residues pruned to eliminate duplicates Z: 10 11.946 1.667 0.758 0.765 0.889 0.667 CB 1.208 10 residues pruned to eliminate duplicates Z: 33 23.225 1.912 0.629 0.701 0.938 0.750 CB 1.171 33 residues pruned to eliminate duplicates Z: 6 4.710 1.489 0.449 0.309 1.000 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 31 20.408 1.934 0.500 0.706 0.900 0.800 CB 1.183 31 residues pruned to eliminate duplicates Z: 22 12.734 1.811 0.470 0.505 0.905 0.667 CA 1.148 22 residues pruned to eliminate duplicates Z: 22 14.855 1.867 0.539 0.543 0.952 0.714 CA 1.135 22 residues pruned to eliminate duplicates Z: 31 21.171 1.897 0.486 0.699 0.933 0.767 CB 1.225 30 residues pruned to eliminate duplicates Z: 23 18.689 1.881 0.523 0.764 0.909 0.864 CA 1.210 23 residues pruned to eliminate duplicates Z: 31 21.468 1.895 0.521 0.693 1.000 0.733 CB 1.140 31 residues pruned to eliminate duplicates Z: 32 24.264 1.914 0.574 0.706 1.000 0.839 CB 1.200 32 residues pruned to eliminate duplicates Z: 33 25.718 1.923 0.559 0.698 1.000 0.812 CB 1.266 33 residues pruned to eliminate duplicates Z: 19 16.020 1.961 0.426 0.779 0.944 0.778 CB 1.118 19 residues pruned to eliminate duplicates Z: 34 23.859 1.898 0.693 0.685 0.909 0.818 CB 1.200 34 residues pruned to eliminate duplicates Z: 34 22.628 1.880 0.571 0.655 0.970 0.727 CB 1.191 34 residues pruned to eliminate duplicates Z: 32 22.177 1.928 0.514 0.689 0.935 0.710 CB 1.227 32 residues pruned to eliminate duplicates Z: 32 22.661 1.932 0.594 0.694 0.935 0.742 CB 1.183 32 residues pruned to eliminate duplicates Z: 33 23.060 1.880 0.634 0.708 0.938 0.812 CB 1.172 33 residues pruned to eliminate duplicates Z: 35 23.827 1.902 0.700 0.682 0.912 0.765 CB 1.173 35 residues pruned to eliminate duplicates Z: 34 22.784 1.875 0.569 0.711 0.939 0.697 CB 1.186 34 residues pruned to eliminate duplicates Z: 34 23.744 1.908 0.605 0.686 0.939 0.758 CB 1.211 34 residues pruned to eliminate duplicates Z: 32 20.843 1.924 0.542 0.680 0.935 0.710 CB 1.143 32 residues pruned to eliminate duplicates Z: 11 12.842 1.931 0.990 0.787 0.800 0.600 CB 1.026 11 residues pruned to eliminate duplicates Z: 31 23.721 1.914 0.686 0.730 0.967 0.833 CB 1.129 31 residues pruned to eliminate duplicates Z: 33 22.236 1.877 0.634 0.689 0.938 0.594 CB 1.150 33 residues pruned to eliminate duplicates Z: 8 3.108 1.582 0.490 0.233 0.571 0.286 CB 1.189 Z: 8 3.621 1.742 0.087 0.432 0.714 0.429 CB 1.085 8 residues pruned to eliminate duplicates Z: 15 10.275 1.444 0.338 0.746 1.000 0.714 O 1.140 10 residues pruned to eliminate duplicates Z: 12 10.014 1.604 0.430 0.802 1.000 0.636 CB 1.011 12 residues pruned to eliminate duplicates Z: 17 9.417 1.601 0.348 0.630 0.938 0.562 CB 1.030 16 residues pruned to eliminate duplicates Z: 10 10.430 1.630 0.665 0.794 0.889 0.556 CB 1.114 10 residues pruned to eliminate duplicates Z: 12 9.386 1.691 0.599 0.684 0.909 0.636 CB 0.972 12 residues pruned to eliminate duplicates Z: 10 10.417 1.787 0.590 0.622 1.000 0.667 CB 1.089 10 residues pruned to eliminate duplicates Z: 12 10.130 1.786 0.389 0.612 1.000 0.727 CB 1.107 12 residues pruned to eliminate duplicates Z: 12 7.983 1.740 0.460 0.575 0.909 0.636 CB 0.969 12 residues pruned to eliminate duplicates Z: 10 9.715 1.836 0.480 0.492 1.000 0.667 CB 1.201 10 residues pruned to eliminate duplicates Z: 20 12.092 1.773 0.448 0.557 0.947 0.526 CB 1.079 20 residues pruned to eliminate duplicates Z: 17 7.523 1.901 0.205 0.328 0.812 0.500 CB 1.219 17 residues pruned to eliminate duplicates Z: 19 8.382 1.830 0.284 0.299 0.889 0.278 CB 1.185 19 residues pruned to eliminate duplicates Z: 10 4.512 1.804 0.209 0.264 0.778 0.333 CB 1.160 10 residues pruned to eliminate duplicates Z: 11 5.119 1.574 0.523 0.303 0.900 0.500 N 0.934 11 residues pruned to eliminate duplicates Z: 11 5.910 1.868 0.193 0.412 0.900 0.100 CB 1.022 11 residues pruned to eliminate duplicates Z: 17 9.339 1.749 0.348 0.511 1.000 0.625 CB 0.980 25 residues pruned to eliminate duplicates Z: 12 6.960 1.706 0.263 0.481 0.909 0.727 CB 1.091 Z: 7 4.061 1.656 0.454 0.449 0.500 0.333 CA 1.450 8 residues pruned to eliminate duplicates Z: 8 5.119 1.539 0.437 0.472 0.714 0.286 CB 1.260 7 residues pruned to eliminate duplicates Z: 6 3.282 1.273 0.377 0.311 1.000 0.400 CA 1.033 6 residues pruned to eliminate duplicates Z: 36 21.772 2.014 0.669 0.340 0.914 0.514 CB 1.426 34 residues pruned to eliminate duplicates Z: 7 5.211 1.303 1.390 0.428 0.833 0.333 CA 0.883 7 residues pruned to eliminate duplicates Z: 33 17.998 2.015 0.503 0.355 0.875 0.562 CB 1.403 33 residues pruned to eliminate duplicates Z: 19 12.631 2.171 0.471 0.282 0.889 0.611 CB 1.341 19 residues pruned to eliminate duplicates Z: 39 19.123 1.954 0.640 0.326 0.842 0.553 CB 1.393 47 residues pruned to eliminate duplicates Z: 31 15.051 1.970 0.460 0.337 0.833 0.567 CB 1.370 31 residues pruned to eliminate duplicates Z: 28 18.449 2.087 0.705 0.338 0.852 0.667 CA 1.398 28 residues pruned to eliminate duplicates Z: 21 12.044 1.988 0.832 0.273 0.800 0.600 CB 1.195 21 residues pruned to eliminate duplicates Z: 27 18.724 2.029 0.649 0.384 0.846 0.462 CA 1.466 27 residues pruned to eliminate duplicates Z: 35 19.534 2.004 0.545 0.368 0.912 0.529 CB 1.367 35 residues pruned to eliminate duplicates Z: 30 18.149 2.062 0.700 0.338 0.862 0.690 CB 1.331 30 residues pruned to eliminate duplicates Z: 46 21.586 1.957 0.584 0.377 0.867 0.600 CB 1.366 58 residues pruned to eliminate duplicates Z: 36 18.682 2.019 0.507 0.391 0.914 0.686 CB 1.274 36 residues pruned to eliminate duplicates Z: 37 21.977 1.976 0.560 0.375 0.944 0.611 CA 1.438 37 residues pruned to eliminate duplicates Z: 35 18.263 1.956 0.548 0.373 0.824 0.618 CA 1.440 35 residues pruned to eliminate duplicates Z: 21 10.838 2.088 0.577 0.189 0.750 0.450 CB 1.423 21 residues pruned to eliminate duplicates Z: 37 23.028 1.957 0.700 0.376 0.944 0.528 CB 1.395 38 residues pruned to eliminate duplicates 6 1.703 1.621 0.762 0.257 0.400 0.200 CB 0.881 ? Z: 6 4.367 1.537 0.489 0.315 1.000 0.600 O 1.046 Z: 7 5.673 1.525 1.059 0.300 1.000 0.333 CB 0.922 13 residues pruned to eliminate duplicates 590 residues left after pruning, divided into chains as follows: A: 14 B: 10 C: 7 D: 6 E: 8 F: 68 G: 51 H: 18 I: 15 J: 44 K: 50 L: 99 M: 53 N: 46 O: 10 P: 34 Q: 51 R: 6 CC for partial structure against native data = 33.00 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.518, Connect. = 0.713 for dens.mod. cycle 1 = 0.300, Contrast = 0.592, Connect. = 0.737 for dens.mod. cycle 2 = 0.301, Contrast = 0.687, Connect. = 0.767 for dens.mod. cycle 3 = 0.301, Contrast = 0.692, Connect. = 0.769 for dens.mod. cycle 4 = 0.301, Contrast = 0.699, Connect. = 0.771 for dens.mod. cycle 5 = 0.301, Contrast = 0.700, Connect. = 0.773 for dens.mod. cycle 6 = 0.301, Contrast = 0.702, Connect. = 0.774 for dens.mod. cycle 7 = 0.301, Contrast = 0.702, Connect. = 0.776 for dens.mod. cycle 8 = 0.301, Contrast = 0.703, Connect. = 0.776 for dens.mod. cycle 9 = 0.301, Contrast = 0.702, Connect. = 0.777 for dens.mod. cycle 10 TimeTaking 118.03