++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 23:19:18 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.ins Phases from ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.phi Native data from ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.hkl Listing output to ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.lst Phases output to ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.phs Poly-Ala trace output to ./2avn-2.5-parrot-noncs/2avn-2.5-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 64 2 2 Allowed origin shift code: 10 35104 Reflections read from file ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.phi 35104 Reflections read from file ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.hkl 35104 Unique data, highest resolution = 2.500 Angstroms Anisotropic scaling: intensities multiplied by 0.000067h^2 +0.000067k^2 -0.000034l^2 +0.000000kl +0.000000hl +0.000067hk 47 Reflections with d > 2.700 and 0 in range 2.700 > d > 2.500 added Density sharpening factor set to 0.00 Fourier grid = 256 x 256 x 39 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 24 Extra Fourier layers will be generated <|E^2-1|> = 0.758 = 0.282, Contrast = 0.145, Connect. = 0.588 for dens.mod. cycle 1 = 0.297, Contrast = 0.349, Connect. = 0.618 for dens.mod. cycle 2 = 0.300, Contrast = 0.607, Connect. = 0.716 for dens.mod. cycle 3 = 0.300, Contrast = 0.765, Connect. = 0.757 for dens.mod. cycle 4 = 0.300, Contrast = 0.866, Connect. = 0.775 for dens.mod. cycle 5 = 0.300, Contrast = 0.925, Connect. = 0.785 for dens.mod. cycle 6 = 0.300, Contrast = 0.959, Connect. = 0.791 for dens.mod. cycle 7 = 0.300, Contrast = 0.979, Connect. = 0.796 for dens.mod. cycle 8 = 0.300, Contrast = 0.990, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.995, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2387 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 531 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 14.229 1.856 0.818 0.657 0.900 0.700 CB 1.281 B: 15 29.187 2.066 0.933 0.859 1.000 0.786 CB 1.437 C: 12 18.484 2.039 0.935 0.860 0.727 0.545 CB 1.428 D: 22 25.437 1.988 0.776 0.793 0.952 0.810 CB 1.277 15 residues pruned to eliminate duplicates E: 13 24.492 1.999 0.883 0.891 1.000 0.750 CA 1.350 F: 13 25.837 2.005 1.174 0.840 0.917 0.583 CA 1.393 13 residues pruned to eliminate duplicates G: 16 29.928 2.023 0.919 0.878 0.933 0.867 CB 1.548 16 residues pruned to eliminate duplicates H: 6 9.380 1.951 0.696 0.658 0.800 0.800 CB 1.369 I: 14 31.965 2.116 1.023 0.905 1.000 1.000 CB 1.474 15 residues pruned to eliminate duplicates J: 18 22.743 1.854 0.812 0.815 1.000 0.706 CB 1.249 12 residues pruned to eliminate duplicates K: 12 26.569 2.042 1.267 0.855 1.000 0.636 CB 1.277 12 residues pruned to eliminate duplicates L: 15 24.390 1.857 0.926 0.918 0.929 0.786 CB 1.385 M: 15 19.566 1.936 0.511 0.893 0.929 0.714 CB 1.383 15 residues pruned to eliminate duplicates N: 10 19.157 2.004 0.662 0.867 0.889 0.778 CB 1.577 O: 12 23.907 1.883 0.918 0.811 1.000 0.545 CB 1.523 12 residues pruned to eliminate duplicates P: 10 27.881 2.078 1.144 0.786 1.000 0.778 CA 1.622 11 residues pruned to eliminate duplicates Q: 11 20.890 1.921 1.051 0.867 0.900 0.800 CB 1.363 11 residues pruned to eliminate duplicates R: 22 30.242 1.924 0.990 0.857 0.952 0.762 CB 1.334 21 residues pruned to eliminate duplicates S: 12 15.681 1.824 0.513 0.783 1.000 0.727 CB 1.335 12 residues pruned to eliminate duplicates T: 72 35.836 1.944 0.713 0.524 0.915 0.592 CB 1.363 22 residues pruned to eliminate duplicates U: 53 39.692 1.889 0.881 0.638 0.981 0.615 CB 1.387 V: 20 20.709 1.796 1.189 0.833 0.895 0.684 CB 1.014 W: 13 22.083 1.808 0.578 0.924 1.000 1.000 CA 1.569 X: 19 15.663 1.945 0.583 0.649 0.889 0.778 CB 1.174 Y: 13 23.181 1.970 1.125 0.638 1.000 0.750 CB 1.404 Z: 9 10.737 1.889 0.772 0.540 1.000 0.875 CB 1.091 7 residues pruned to eliminate duplicates Z: 21 25.819 1.837 0.781 0.899 1.000 0.850 CB 1.261 21 residues pruned to eliminate duplicates Z: 14 23.518 1.896 0.811 0.887 0.923 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 6 6.769 1.840 0.342 0.671 0.800 0.800 CB 1.308 5 residues pruned to eliminate duplicates Z: 9 19.947 1.833 0.670 0.892 1.000 0.875 CB 1.656 9 residues pruned to eliminate duplicates Z: 8 13.943 1.778 0.702 0.840 1.000 0.857 CB 1.299 Z: 33 15.123 1.854 0.530 0.493 0.812 0.500 CB 1.168 Z: 14 22.418 1.859 1.064 0.796 0.846 0.615 N 1.478 14 residues pruned to eliminate duplicates Z: 10 9.114 1.813 0.704 0.520 0.889 0.556 CB 1.085 Z: 16 11.863 1.745 0.731 0.489 0.800 0.800 CB 1.282 14 residues pruned to eliminate duplicates Z: 38 29.660 1.889 0.931 0.622 0.892 0.514 CB 1.336 38 residues pruned to eliminate duplicates Z: 11 26.111 2.067 0.826 0.741 1.000 0.700 CA 1.763 11 residues pruned to eliminate duplicates Z: 14 13.758 1.963 0.800 0.594 1.000 0.846 CB 0.987 11 residues pruned to eliminate duplicates Z: 14 25.497 2.011 0.743 0.904 0.923 0.769 CB 1.556 14 residues pruned to eliminate duplicates Z: 17 8.760 1.921 0.710 0.348 0.688 0.500 CB 1.143 Z: 13 22.694 2.029 1.015 0.898 1.000 0.750 CB 1.146 13 residues pruned to eliminate duplicates Z: 17 27.485 1.923 0.810 0.894 1.000 0.875 CB 1.416 17 residues pruned to eliminate duplicates Z: 11 26.101 2.015 1.243 0.868 1.000 0.700 CB 1.335 11 residues pruned to eliminate duplicates Z: 31 25.217 1.965 0.988 0.480 0.833 0.467 CB 1.443 14 residues pruned to eliminate duplicates Z: 26 14.071 1.900 0.529 0.377 0.880 0.600 CB 1.255 26 residues pruned to eliminate duplicates Z: 22 26.739 1.848 0.695 0.849 1.000 0.810 CB 1.381 22 residues pruned to eliminate duplicates Z: 15 25.251 2.088 0.857 0.847 0.929 0.857 CB 1.391 15 residues pruned to eliminate duplicates Z: 6 8.082 1.755 0.490 0.725 1.000 0.800 CB 1.128 6 residues pruned to eliminate duplicates Z: 15 21.190 1.935 0.765 0.907 0.929 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 15 11.541 1.813 0.503 0.442 0.857 0.500 CB 1.402 22 residues pruned to eliminate duplicates Z: 39 33.207 2.047 0.929 0.612 0.921 0.737 CB 1.333 21 residues pruned to eliminate duplicates Z: 13 20.517 1.968 0.976 0.780 0.917 0.583 CB 1.298 13 residues pruned to eliminate duplicates Z: 20 27.732 1.936 1.135 0.830 0.947 0.526 CB 1.222 20 residues pruned to eliminate duplicates Z: 24 13.610 1.831 0.736 0.294 0.913 0.391 CB 1.232 Z: 15 19.052 1.812 0.508 0.832 1.000 0.857 CA 1.399 13 residues pruned to eliminate duplicates Z: 12 18.488 1.766 0.665 0.847 0.909 0.636 O 1.548 Z: 21 31.482 2.001 1.089 0.815 0.950 0.750 CB 1.348 21 residues pruned to eliminate duplicates Z: 12 21.729 1.852 0.734 0.875 1.000 0.818 CB 1.483 12 residues pruned to eliminate duplicates Z: 11 10.647 1.743 0.605 0.898 0.900 0.700 CB 0.956 11 residues pruned to eliminate duplicates Z: 20 23.259 1.920 0.847 0.824 0.895 0.789 CB 1.271 20 residues pruned to eliminate duplicates Z: 19 23.508 1.972 0.869 0.797 0.944 0.667 CB 1.228 Z: 12 8.126 1.716 0.902 0.250 0.818 0.455 CB 1.222 Z: 25 12.759 1.859 0.637 0.354 0.833 0.417 CB 1.203 7 residues pruned to eliminate duplicates Z: 19 30.398 1.944 1.265 0.891 0.944 0.722 CB 1.239 20 residues pruned to eliminate duplicates Z: 16 13.215 1.755 0.663 0.461 0.933 0.533 CB 1.303 16 residues pruned to eliminate duplicates Z: 12 20.302 2.077 0.507 0.925 1.000 1.000 CB 1.373 12 residues pruned to eliminate duplicates Z: 16 11.907 1.903 0.496 0.418 0.867 0.600 CB 1.357 Z: 12 29.977 1.903 0.988 0.926 1.000 1.000 CB 1.675 15 residues pruned to eliminate duplicates Z: 12 25.834 2.007 1.118 0.885 1.000 0.818 CB 1.324 12 residues pruned to eliminate duplicates Z: 12 24.698 2.090 1.075 0.877 0.909 0.727 CB 1.372 13 residues pruned to eliminate duplicates Z: 22 28.243 1.964 0.905 0.782 1.000 0.619 CB 1.284 22 residues pruned to eliminate duplicates Z: 55 33.119 1.992 0.797 0.528 0.944 0.648 CB 1.297 52 residues pruned to eliminate duplicates Z: 20 24.039 1.969 0.775 0.808 1.000 0.632 CB 1.206 20 residues pruned to eliminate duplicates Z: 6 10.274 1.763 0.743 0.816 0.800 0.800 CA 1.420 6 residues pruned to eliminate duplicates Z: 53 34.792 1.975 1.072 0.533 0.865 0.538 CB 1.318 53 residues pruned to eliminate duplicates Z: 6 6.391 1.663 0.590 0.780 0.800 0.800 N 1.056 Z: 21 20.739 1.902 0.662 0.827 0.950 0.900 CB 1.164 21 residues pruned to eliminate duplicates Z: 19 31.390 1.921 1.109 0.914 0.944 0.778 CB 1.368 19 residues pruned to eliminate duplicates Z: 18 24.206 1.879 0.595 0.933 1.000 0.941 CB 1.367 18 residues pruned to eliminate duplicates Z: 15 20.712 1.912 0.665 0.920 0.929 0.857 CB 1.318 15 residues pruned to eliminate duplicates Z: 77 34.242 1.921 0.706 0.540 0.947 0.711 CB 1.216 81 residues pruned to eliminate duplicates Z: 6 6.316 1.843 0.093 0.811 0.800 0.800 CB 1.337 6 residues pruned to eliminate duplicates Z: 12 19.110 1.810 0.673 0.863 0.909 0.727 CA 1.535 10 residues pruned to eliminate duplicates Z: 18 17.224 1.820 0.793 0.799 0.824 0.706 CB 1.197 18 residues pruned to eliminate duplicates Z: 37 33.256 2.007 0.879 0.660 0.861 0.639 CB 1.472 43 residues pruned to eliminate duplicates Z: 12 17.422 1.903 0.682 0.932 1.000 1.000 CB 1.146 7 residues pruned to eliminate duplicates Z: 23 21.449 1.933 0.753 0.730 0.864 0.682 CB 1.271 23 residues pruned to eliminate duplicates Z: 19 20.710 1.910 0.908 0.792 0.889 0.611 CB 1.166 19 residues pruned to eliminate duplicates Z: 22 26.410 1.985 0.858 0.802 0.905 0.571 CB 1.326 22 residues pruned to eliminate duplicates Z: 11 24.610 2.004 1.284 0.879 0.900 0.800 CB 1.370 11 residues pruned to eliminate duplicates Z: 16 21.774 1.996 0.935 0.644 0.800 0.533 O 1.590 16 residues pruned to eliminate duplicates Z: 13 18.987 1.980 1.047 0.856 1.000 0.750 CB 0.997 13 residues pruned to eliminate duplicates Z: 6 11.808 1.817 0.611 0.813 1.000 0.800 CA 1.374 6 residues pruned to eliminate duplicates Z: 12 27.684 1.966 1.304 0.915 1.000 0.818 CB 1.302 12 residues pruned to eliminate duplicates Z: 12 21.513 2.106 0.959 0.496 1.000 0.727 CB 1.579 12 residues pruned to eliminate duplicates Z: 14 17.198 2.027 0.528 0.893 1.000 0.846 CB 1.106 14 residues pruned to eliminate duplicates Z: 48 28.205 1.864 0.779 0.575 0.957 0.702 CB 1.205 33 residues pruned to eliminate duplicates Z: 27 25.144 2.000 1.080 0.513 0.846 0.500 CB 1.383 27 residues pruned to eliminate duplicates Z: 14 23.961 1.866 1.039 0.904 0.923 0.769 CB 1.348 14 residues pruned to eliminate duplicates Z: 14 16.099 1.879 0.716 0.857 0.846 0.692 CB 1.206 14 residues pruned to eliminate duplicates Z: 11 19.750 2.071 1.047 0.820 0.800 0.500 CB 1.396 11 residues pruned to eliminate duplicates Z: 52 29.482 1.939 0.816 0.482 0.902 0.510 CB 1.324 43 residues pruned to eliminate duplicates Z: 10 7.886 2.031 0.509 0.562 0.667 0.444 CB 1.211 10 residues pruned to eliminate duplicates Z: 15 24.911 2.032 0.705 0.902 0.929 0.786 CB 1.476 15 residues pruned to eliminate duplicates Z: 7 4.517 1.702 0.714 0.216 0.833 0.333 N 1.060 Z: 18 7.902 1.717 0.457 0.284 0.824 0.412 CB 1.186 18 residues pruned to eliminate duplicates Z: 7 5.202 1.579 0.213 0.603 1.000 0.833 CB 1.005 7 residues pruned to eliminate duplicates Z: 6 4.885 1.713 0.312 0.388 0.800 0.400 CB 1.369 Z: 11 30.586 1.981 1.405 0.867 1.000 0.700 CB 1.486 11 residues pruned to eliminate duplicates Z: 11 8.390 1.734 0.467 0.500 0.800 0.700 CB 1.304 Z: 9 18.978 1.903 0.940 0.868 0.875 0.625 CB 1.518 9 residues pruned to eliminate duplicates Z: 50 23.669 1.869 0.720 0.423 0.878 0.510 CB 1.299 48 residues pruned to eliminate duplicates Z: 8 11.993 1.818 0.477 0.782 1.000 0.571 CB 1.317 8 residues pruned to eliminate duplicates Z: 14 15.020 1.694 0.674 0.820 0.923 0.692 CA 1.206 14 residues pruned to eliminate duplicates Z: 14 23.478 1.980 0.804 0.902 0.923 0.846 CB 1.408 14 residues pruned to eliminate duplicates Z: 37 34.685 2.032 0.972 0.565 0.889 0.556 CB 1.524 37 residues pruned to eliminate duplicates Z: 13 16.395 1.787 0.498 0.890 1.000 0.833 CA 1.273 13 residues pruned to eliminate duplicates Z: 8 11.670 1.784 0.792 0.715 0.857 0.857 O 1.325 9 residues pruned to eliminate duplicates Z: 10 4.386 1.589 0.547 0.328 0.667 0.333 CB 1.077 10 residues pruned to eliminate duplicates Z: 11 17.375 1.969 0.428 0.920 1.000 1.000 CB 1.376 11 residues pruned to eliminate duplicates Z: 14 23.029 1.928 0.841 0.927 0.923 0.846 CB 1.367 14 residues pruned to eliminate duplicates Z: 19 27.681 1.901 1.348 0.851 1.000 0.722 CB 1.081 19 residues pruned to eliminate duplicates Z: 14 23.752 1.967 0.818 0.905 0.923 0.692 CB 1.420 14 residues pruned to eliminate duplicates Z: 42 20.748 1.890 0.743 0.504 0.829 0.659 CB 1.182 42 residues pruned to eliminate duplicates Z: 30 16.892 1.778 0.716 0.578 0.828 0.310 CB 1.153 30 residues pruned to eliminate duplicates Z: 14 22.505 1.990 0.934 0.861 0.846 0.692 CB 1.408 14 residues pruned to eliminate duplicates Z: 13 20.644 1.825 0.753 0.815 1.000 0.667 CB 1.416 13 residues pruned to eliminate duplicates Z: 36 38.356 1.931 1.051 0.686 1.000 0.657 CB 1.381 26 residues pruned to eliminate duplicates Z: 8 7.736 1.675 0.868 0.604 0.714 0.714 CB 1.185 Z: 15 11.162 1.982 0.236 0.673 1.000 0.786 CB 1.038 24 residues pruned to eliminate duplicates Z: 7 7.250 1.592 0.670 0.668 0.833 0.667 N 1.144 7 residues pruned to eliminate duplicates Z: 14 34.054 2.138 1.101 0.935 1.000 0.923 CB 1.466 14 residues pruned to eliminate duplicates Z: 54 30.005 1.953 0.698 0.549 0.906 0.717 CB 1.308 54 residues pruned to eliminate duplicates Z: 12 18.948 1.942 0.615 0.911 1.000 1.000 CB 1.291 12 residues pruned to eliminate duplicates Z: 18 12.794 1.765 0.650 0.709 0.706 0.412 CB 1.249 18 residues pruned to eliminate duplicates Z: 17 19.176 1.819 0.560 0.755 0.938 0.688 CB 1.436 17 residues pruned to eliminate duplicates Z: 7 8.324 1.813 1.053 0.629 0.667 0.500 CB 1.213 7 residues pruned to eliminate duplicates Z: 8 8.936 1.622 1.149 0.530 0.714 0.571 CB 1.317 Z: 19 13.853 1.774 0.545 0.537 0.944 0.611 CB 1.216 19 residues pruned to eliminate duplicates Z: 12 6.336 1.630 0.604 0.417 0.818 0.636 CB 0.974 12 residues pruned to eliminate duplicates Z: 6 4.216 1.743 0.600 0.296 0.600 0.600 CB 1.415 Z: 13 15.718 1.738 0.835 0.824 0.917 0.833 CB 1.173 12 residues pruned to eliminate duplicates Z: 19 23.453 2.021 0.833 0.629 0.833 0.611 CB 1.586 19 residues pruned to eliminate duplicates Z: 23 23.169 1.945 0.591 0.653 1.000 0.909 CB 1.384 22 residues pruned to eliminate duplicates Z: 12 18.075 1.764 0.917 0.826 0.909 0.727 CB 1.337 12 residues pruned to eliminate duplicates Z: 37 12.274 1.774 0.673 0.361 0.750 0.444 CB 1.067 68 residues pruned to eliminate duplicates Z: 60 30.907 1.931 0.790 0.524 0.881 0.542 CB 1.290 59 residues pruned to eliminate duplicates Z: 8 10.441 1.724 0.785 0.718 0.857 0.714 CB 1.229 8 residues pruned to eliminate duplicates Z: 8 4.682 1.579 0.449 0.427 0.714 0.286 N 1.169 Z: 6 7.673 1.770 0.796 0.567 0.800 0.600 N 1.265 Z: 22 22.693 1.908 0.853 0.810 0.952 0.762 CB 1.122 22 residues pruned to eliminate duplicates Z: 11 9.991 1.800 0.313 0.530 0.900 0.700 CB 1.443 Z: 14 21.465 1.699 0.796 0.890 1.000 0.846 N 1.403 Z: 23 24.840 1.915 0.841 0.803 0.955 0.773 CB 1.207 23 residues pruned to eliminate duplicates Z: 7 7.013 1.500 0.786 0.623 0.833 0.667 CB 1.142 7 residues pruned to eliminate duplicates Z: 11 21.211 1.984 0.617 0.858 1.000 0.900 CB 1.539 11 residues pruned to eliminate duplicates Z: 39 25.881 1.812 0.638 0.647 0.868 0.447 CB 1.420 39 residues pruned to eliminate duplicates Z: 12 19.964 1.822 0.709 0.824 1.000 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 9 4.497 1.624 0.220 0.432 0.875 0.750 CB 0.984 9 residues pruned to eliminate duplicates Z: 21 20.807 1.732 0.605 0.724 0.950 0.600 CB 1.440 21 residues pruned to eliminate duplicates Z: 63 32.722 1.842 0.866 0.581 0.871 0.629 CB 1.284 63 residues pruned to eliminate duplicates Z: 21 33.232 2.097 0.911 0.687 1.000 0.900 CB 1.562 21 residues pruned to eliminate duplicates Z: 22 26.285 1.965 0.994 0.828 0.952 0.667 CB 1.158 22 residues pruned to eliminate duplicates Z: 45 30.213 1.944 0.902 0.552 0.886 0.523 CB 1.321 43 residues pruned to eliminate duplicates Z: 16 16.609 1.703 0.469 0.858 1.000 0.867 CB 1.263 16 residues pruned to eliminate duplicates Z: 32 23.819 2.011 0.618 0.603 0.903 0.742 CB 1.320 14 residues pruned to eliminate duplicates Z: 22 20.510 1.858 0.771 0.658 0.905 0.714 CB 1.298 22 residues pruned to eliminate duplicates Z: 19 16.698 1.729 0.589 0.739 0.833 0.667 CB 1.388 19 residues pruned to eliminate duplicates Z: 7 7.773 1.769 0.481 0.375 1.000 0.333 CB 1.383 7 residues pruned to eliminate duplicates Z: 23 26.879 1.892 0.860 0.818 0.909 0.682 CB 1.358 23 residues pruned to eliminate duplicates Z: 14 6.982 1.596 0.695 0.628 0.692 0.385 CB 0.916 14 residues pruned to eliminate duplicates Z: 11 16.903 1.857 0.559 0.921 1.000 0.900 CB 1.299 11 residues pruned to eliminate duplicates Z: 12 19.767 1.904 0.874 0.899 0.909 0.727 CB 1.314 12 residues pruned to eliminate duplicates Z: 10 19.459 2.141 0.626 0.900 1.000 0.667 CB 1.331 10 residues pruned to eliminate duplicates Z: 22 20.091 1.943 0.501 0.817 0.952 0.762 CB 1.199 22 residues pruned to eliminate duplicates Z: 34 20.004 1.861 0.914 0.466 0.848 0.515 CB 1.193 34 residues pruned to eliminate duplicates Z: 12 20.675 1.907 0.841 0.870 0.909 0.818 CB 1.425 12 residues pruned to eliminate duplicates Z: 8 8.420 1.798 0.505 0.702 0.857 0.857 CB 1.141 8 residues pruned to eliminate duplicates Z: 10 5.840 1.732 0.403 0.193 0.778 0.333 CB 1.485 10 residues pruned to eliminate duplicates Z: 30 17.742 1.979 0.843 0.419 0.793 0.552 CB 1.239 30 residues pruned to eliminate duplicates Z: 29 33.399 2.025 1.093 0.587 0.893 0.643 CB 1.534 31 residues pruned to eliminate duplicates Z: 7 6.456 1.585 0.677 0.388 0.833 0.500 CB 1.340 Z: 52 40.262 1.888 0.924 0.636 0.980 0.667 CB 1.393 52 residues pruned to eliminate duplicates Z: 9 13.317 1.862 0.709 0.716 1.000 0.750 CB 1.217 9 residues pruned to eliminate duplicates Z: 9 9.267 1.819 0.497 0.722 0.875 0.375 CB 1.125 9 residues pruned to eliminate duplicates Z: 10 4.194 1.619 0.547 0.357 0.778 0.333 CB 0.838 Z: 33 20.049 1.947 0.773 0.446 0.875 0.656 CB 1.240 42 residues pruned to eliminate duplicates Z: 9 8.335 1.887 0.655 0.530 0.750 0.500 CB 1.221 9 residues pruned to eliminate duplicates Z: 6 4.876 1.879 0.152 0.460 0.800 0.400 CB 1.313 Z: 8 5.791 1.718 0.187 0.579 0.857 0.571 CB 1.160 8 residues pruned to eliminate duplicates Z: 6 2.520 1.659 0.622 0.518 0.600 0.600 CB 0.686 Z: 8 8.342 1.654 0.929 0.588 0.857 0.857 CB 1.060 Z: 53 43.574 2.011 1.046 0.652 0.942 0.635 CB 1.354 53 residues pruned to eliminate duplicates Z: 6 9.556 1.787 0.414 0.874 1.000 0.800 CB 1.230 6 residues pruned to eliminate duplicates Z: 22 29.563 1.885 1.005 0.821 0.952 0.762 CB 1.357 22 residues pruned to eliminate duplicates Z: 56 32.578 1.946 0.809 0.546 0.909 0.636 CB 1.313 56 residues pruned to eliminate duplicates Z: 13 21.050 1.824 0.836 0.913 1.000 0.750 CB 1.284 13 residues pruned to eliminate duplicates Z: 11 14.096 1.788 0.685 0.764 1.000 0.700 CB 1.170 12 residues pruned to eliminate duplicates Z: 7 5.746 1.718 0.712 0.410 0.833 0.500 CB 1.051 Z: 20 21.243 1.963 0.618 0.811 0.947 0.789 CB 1.235 20 residues pruned to eliminate duplicates Z: 21 17.418 1.830 0.394 0.867 0.950 0.900 CB 1.176 21 residues pruned to eliminate duplicates Z: 12 10.790 1.836 0.707 0.358 0.818 0.636 CB 1.479 12 residues pruned to eliminate duplicates Z: 20 21.113 1.974 0.657 0.811 0.947 0.737 CB 1.192 20 residues pruned to eliminate duplicates Z: 15 14.595 1.791 0.370 0.851 1.000 0.857 CB 1.177 15 residues pruned to eliminate duplicates Z: 14 8.301 1.620 0.377 0.489 0.846 0.462 CB 1.232 Z: 20 27.861 1.882 1.198 0.830 0.947 0.421 CB 1.226 20 residues pruned to eliminate duplicates Z: 10 17.230 1.742 0.932 0.737 1.000 0.444 CB 1.380 10 residues pruned to eliminate duplicates Z: 6 10.834 1.586 0.732 0.872 1.000 1.000 CA 1.286 6 residues pruned to eliminate duplicates Z: 7 7.708 1.716 0.536 0.664 0.833 0.500 CB 1.231 7 residues pruned to eliminate duplicates Z: 52 45.656 2.023 1.070 0.683 0.922 0.706 CB 1.400 52 residues pruned to eliminate duplicates Z: 13 20.811 1.940 1.061 0.836 0.833 0.667 CB 1.350 13 residues pruned to eliminate duplicates Z: 35 20.718 1.934 0.621 0.441 0.941 0.618 CB 1.280 35 residues pruned to eliminate duplicates Z: 9 10.090 1.753 0.769 0.725 0.875 0.750 CB 1.073 9 residues pruned to eliminate duplicates Z: 12 27.532 2.025 0.916 0.905 1.000 0.909 CB 1.523 12 residues pruned to eliminate duplicates Z: 13 25.261 1.924 1.181 0.818 1.000 0.833 CB 1.319 13 residues pruned to eliminate duplicates Z: 15 8.194 1.759 0.366 0.466 0.857 0.643 CB 1.101 15 residues pruned to eliminate duplicates Z: 22 5.952 1.604 0.672 0.535 0.857 0.476 CB 0.546 22 residues pruned to eliminate duplicates Z: 14 16.598 1.987 1.046 0.716 0.846 0.538 CB 1.100 14 residues pruned to eliminate duplicates Z: 19 9.021 1.655 0.783 0.306 0.833 0.611 CB 1.073 19 residues pruned to eliminate duplicates Z: 11 21.722 1.921 0.798 0.862 1.000 0.900 CB 1.460 11 residues pruned to eliminate duplicates Z: 20 26.911 1.906 0.944 0.869 0.947 0.789 CB 1.286 20 residues pruned to eliminate duplicates Z: 19 25.511 1.868 1.101 0.898 0.944 0.722 CB 1.160 19 residues pruned to eliminate duplicates Z: 9 4.660 1.662 0.225 0.618 0.875 0.625 CB 0.828 Z: 8 7.550 1.796 0.519 0.410 0.857 0.571 N 1.341 8 residues pruned to eliminate duplicates Z: 22 22.149 1.929 0.705 0.826 0.905 0.905 CB 1.225 22 residues pruned to eliminate duplicates Z: 11 6.917 1.739 0.690 0.464 0.900 0.600 CB 0.858 11 residues pruned to eliminate duplicates Z: 13 15.816 1.929 0.795 0.559 1.000 0.667 CB 1.245 13 residues pruned to eliminate duplicates Z: 10 11.696 1.836 0.341 0.855 1.000 0.667 CB 1.168 10 residues pruned to eliminate duplicates Z: 13 18.965 1.992 0.897 0.657 1.000 0.833 CB 1.252 13 residues pruned to eliminate duplicates Z: 15 16.655 1.857 0.825 0.709 0.857 0.643 CB 1.267 15 residues pruned to eliminate duplicates Z: 22 17.182 1.774 0.590 0.495 0.905 0.619 CB 1.475 21 residues pruned to eliminate duplicates Z: 18 10.911 1.670 0.574 0.745 0.706 0.412 CB 1.145 18 residues pruned to eliminate duplicates Z: 18 19.198 1.767 0.617 0.806 0.941 0.706 CB 1.325 18 residues pruned to eliminate duplicates Z: 46 30.466 1.985 0.701 0.582 0.889 0.667 CB 1.398 46 residues pruned to eliminate duplicates Z: 9 6.562 1.654 0.770 0.450 0.625 0.250 CB 1.336 11 residues pruned to eliminate duplicates Z: 21 21.596 1.907 0.670 0.781 0.950 0.600 CB 1.246 21 residues pruned to eliminate duplicates Z: 10 14.872 1.854 0.613 0.892 1.000 1.000 CB 1.191 10 residues pruned to eliminate duplicates Z: 14 22.019 1.749 0.711 0.870 1.000 0.615 CA 1.490 14 residues pruned to eliminate duplicates Z: 12 19.315 1.860 0.699 0.910 0.909 0.909 CB 1.438 12 residues pruned to eliminate duplicates Z: 9 7.235 1.768 0.278 0.754 0.875 0.875 CB 1.032 9 residues pruned to eliminate duplicates Z: 8 4.181 1.606 0.495 0.374 0.714 0.429 CB 1.055 Z: 14 17.248 1.913 0.393 0.895 1.000 0.846 CB 1.287 14 residues pruned to eliminate duplicates Z: 24 16.127 1.795 0.641 0.540 0.870 0.696 CB 1.263 24 residues pruned to eliminate duplicates Z: 13 25.950 1.824 1.192 0.898 1.000 0.667 CB 1.340 13 residues pruned to eliminate duplicates Z: 18 10.472 1.818 0.571 0.420 0.882 0.647 CB 1.095 18 residues pruned to eliminate duplicates Z: 12 15.140 1.836 0.554 0.846 1.000 0.818 CB 1.188 12 residues pruned to eliminate duplicates Z: 24 17.102 1.787 0.815 0.786 0.826 0.435 CB 1.035 24 residues pruned to eliminate duplicates Z: 12 13.222 1.762 0.898 0.532 0.818 0.636 CB 1.412 11 residues pruned to eliminate duplicates 7 1.702 1.642 0.122 0.397 0.833 0.500 CB 0.505 ? Z: 33 24.377 1.937 0.786 0.521 0.938 0.750 CB 1.302 34 residues pruned to eliminate duplicates Z: 19 13.436 1.828 0.770 0.332 0.944 0.611 CB 1.245 19 residues pruned to eliminate duplicates Z: 12 10.448 1.740 0.377 0.757 1.000 0.545 CB 1.046 12 residues pruned to eliminate duplicates Z: 12 16.870 1.954 0.759 0.752 0.818 0.727 CB 1.445 12 residues pruned to eliminate duplicates Z: 11 23.591 1.933 1.126 0.839 0.900 0.800 CB 1.507 11 residues pruned to eliminate duplicates Z: 18 13.798 1.736 0.553 0.619 0.882 0.706 CB 1.257 18 residues pruned to eliminate duplicates Z: 18 22.930 2.023 0.610 0.682 0.941 0.882 CB 1.535 18 residues pruned to eliminate duplicates Z: 12 22.015 1.782 0.937 0.896 1.000 0.818 CB 1.377 12 residues pruned to eliminate duplicates Z: 14 15.986 1.738 0.770 0.850 0.846 0.692 CB 1.262 14 residues pruned to eliminate duplicates Z: 12 16.647 1.773 0.739 0.810 1.000 0.636 CB 1.242 12 residues pruned to eliminate duplicates Z: 30 14.036 1.592 0.657 0.425 0.862 0.517 CB 1.240 30 residues pruned to eliminate duplicates Z: 16 12.638 1.985 0.572 0.531 0.800 0.733 CB 1.267 16 residues pruned to eliminate duplicates Z: 21 14.787 1.680 0.667 0.699 0.750 0.400 CB 1.313 21 residues pruned to eliminate duplicates Z: 9 5.299 1.686 0.633 0.374 0.750 0.250 CB 1.038 Z: 19 21.747 1.817 0.760 0.692 0.889 0.444 CB 1.512 19 residues pruned to eliminate duplicates Z: 19 27.544 1.831 1.047 0.878 1.000 0.500 CB 1.257 19 residues pruned to eliminate duplicates Z: 6 2.006 1.361 0.102 0.433 0.600 0.600 N 1.069 Z: 12 23.932 1.911 1.271 0.897 0.909 0.545 CB 1.309 12 residues pruned to eliminate duplicates Z: 14 22.469 1.830 1.161 0.878 0.923 0.615 CB 1.240 14 residues pruned to eliminate duplicates Z: 21 25.266 1.923 0.767 0.805 0.950 0.650 CB 1.341 21 residues pruned to eliminate duplicates Z: 119 52.216 2.007 0.906 0.505 0.924 0.585 CB 1.353 119 residues pruned to eliminate duplicates Z: 26 15.469 1.716 0.538 0.532 0.880 0.520 CB 1.291 Z: 6 6.750 1.766 0.396 0.662 0.800 0.600 N 1.317 6 residues pruned to eliminate duplicates Z: 7 5.770 1.560 0.573 0.584 0.833 0.667 CB 1.063 Z: 13 9.268 1.495 0.645 0.621 0.750 0.583 CB 1.294 13 residues pruned to eliminate duplicates 6 1.685 1.455 0.189 0.465 0.800 0.600 CB 0.565 ? Z: 17 11.990 1.622 1.053 0.444 0.750 0.375 CB 1.272 39 residues pruned to eliminate duplicates Z: 10 17.319 1.944 0.479 0.906 1.000 1.000 CB 1.429 10 residues pruned to eliminate duplicates Z: 16 14.271 1.758 0.643 0.505 0.933 0.667 CB 1.361 16 residues pruned to eliminate duplicates Z: 29 24.540 1.868 0.731 0.600 0.929 0.679 CB 1.404 14 residues pruned to eliminate duplicates Z: 8 8.449 1.761 0.780 0.773 0.714 0.571 CB 1.121 8 residues pruned to eliminate duplicates Z: 11 8.042 1.853 0.615 0.421 0.900 0.600 CB 1.025 11 residues pruned to eliminate duplicates Z: 6 2.860 1.520 0.542 0.287 0.800 0.400 CB 0.867 6 residues pruned to eliminate duplicates Z: 11 4.749 1.583 0.608 0.328 0.700 0.500 CB 1.018 Z: 14 3.602 1.416 0.937 0.131 0.615 0.462 CB 0.939 Z: 29 24.486 1.900 0.887 0.704 0.893 0.786 CB 1.201 29 residues pruned to eliminate duplicates Z: 15 21.479 1.794 0.822 0.829 0.929 0.571 CA 1.423 15 residues pruned to eliminate duplicates Z: 8 10.688 1.769 0.368 0.883 1.000 1.000 CB 1.207 8 residues pruned to eliminate duplicates Z: 65 42.195 1.994 0.991 0.576 0.891 0.609 CB 1.387 65 residues pruned to eliminate duplicates Z: 15 18.032 1.805 0.634 0.912 1.000 0.929 CB 1.157 15 residues pruned to eliminate duplicates Z: 17 15.924 1.849 0.660 0.736 0.750 0.500 CB 1.400 17 residues pruned to eliminate duplicates Z: 9 3.359 1.491 0.555 0.276 0.750 0.375 CB 0.880 6 residues pruned to eliminate duplicates Z: 59 31.961 1.921 0.756 0.529 0.914 0.655 CB 1.324 65 residues pruned to eliminate duplicates Z: 7 8.540 1.747 0.579 0.638 1.000 0.500 CB 1.110 Z: 15 36.720 2.121 1.222 0.709 1.000 0.786 CB 1.721 16 residues pruned to eliminate duplicates Z: 11 10.058 1.723 0.910 0.804 0.800 0.500 CB 0.926 11 residues pruned to eliminate duplicates Z: 11 13.968 1.814 0.788 0.787 0.700 0.600 N 1.511 11 residues pruned to eliminate duplicates Z: 37 20.863 1.848 0.690 0.561 0.944 0.556 CB 1.110 37 residues pruned to eliminate duplicates Z: 20 17.804 1.895 0.519 0.845 0.947 0.842 CB 1.114 20 residues pruned to eliminate duplicates Z: 13 20.424 1.828 1.291 0.842 0.917 0.417 CB 1.144 13 residues pruned to eliminate duplicates Z: 7 15.731 1.755 0.803 0.850 1.000 0.833 N 1.503 7 residues pruned to eliminate duplicates Z: 10 9.674 1.747 1.021 0.777 0.889 0.667 CB 0.805 10 residues pruned to eliminate duplicates Z: 9 13.142 1.901 0.689 0.718 0.875 0.500 CB 1.359 9 residues pruned to eliminate duplicates Z: 7 5.904 1.822 0.197 0.336 1.000 0.667 CB 1.321 7 residues pruned to eliminate duplicates Z: 7 4.823 1.773 0.696 0.815 1.000 0.833 CB 0.498 Z: 9 13.560 1.921 0.756 0.839 0.875 0.500 CB 1.213 9 residues pruned to eliminate duplicates Z: 9 3.417 1.351 0.457 0.354 0.875 0.250 N 0.822 Z: 6 3.681 1.321 0.134 0.684 1.000 0.600 CB 0.927 Z: 7 4.307 1.404 0.440 0.551 1.000 0.500 CB 0.827 Z: 7 5.338 1.609 0.473 0.372 0.833 0.500 CB 1.266 Z: 21 25.018 1.913 0.983 0.693 0.800 0.700 CB 1.545 21 residues pruned to eliminate duplicates Z: 8 4.827 1.649 0.432 0.403 0.714 0.571 CB 1.198 Z: 19 21.377 1.841 0.829 0.541 1.000 0.444 CB 1.437 37 residues pruned to eliminate duplicates Z: 10 18.592 1.749 0.803 0.778 1.000 0.556 O 1.537 10 residues pruned to eliminate duplicates Z: 12 6.189 1.673 0.726 0.389 0.818 0.545 CB 0.889 12 residues pruned to eliminate duplicates Z: 15 20.631 1.897 0.854 0.744 0.857 0.571 CB 1.470 15 residues pruned to eliminate duplicates Z: 28 24.314 1.981 0.873 0.522 0.852 0.704 CB 1.448 28 residues pruned to eliminate duplicates Z: 27 21.835 1.976 0.597 0.650 0.923 0.731 CB 1.278 27 residues pruned to eliminate duplicates Z: 6 9.349 1.838 0.552 0.774 0.800 0.800 CB 1.438 6 residues pruned to eliminate duplicates Z: 11 9.399 1.825 0.888 0.448 1.000 0.500 CB 0.910 11 residues pruned to eliminate duplicates Z: 14 30.895 2.041 0.866 0.932 1.000 0.846 CB 1.572 14 residues pruned to eliminate duplicates Z: 20 21.272 1.800 0.840 0.548 0.947 0.789 CB 1.484 20 residues pruned to eliminate duplicates Z: 20 27.969 1.872 1.224 0.840 0.947 0.474 CB 1.214 20 residues pruned to eliminate duplicates Z: 13 5.104 1.436 0.194 0.448 0.833 0.333 CB 1.088 Z: 7 4.472 1.817 0.298 0.210 0.833 0.333 N 1.309 7 residues pruned to eliminate duplicates Z: 16 19.344 1.680 0.689 0.888 1.000 0.867 CB 1.268 16 residues pruned to eliminate duplicates Z: 12 23.643 2.106 1.100 0.555 0.909 0.636 CB 1.680 12 residues pruned to eliminate duplicates Z: 22 22.565 1.822 0.730 0.870 0.905 0.762 CB 1.260 22 residues pruned to eliminate duplicates Z: 7 10.078 1.779 0.320 0.761 1.000 0.833 N 1.389 8 residues pruned to eliminate duplicates Z: 50 26.250 1.882 0.741 0.509 0.918 0.633 CB 1.235 50 residues pruned to eliminate duplicates Z: 22 30.086 1.841 1.152 0.814 0.952 0.667 CB 1.324 22 residues pruned to eliminate duplicates Z: 9 5.448 1.452 0.497 0.626 0.875 0.750 CB 0.900 Z: 7 6.877 1.466 1.378 0.388 0.833 0.500 CB 1.087 Z: 11 28.102 2.078 1.067 0.876 1.000 0.800 CB 1.504 11 residues pruned to eliminate duplicates Z: 9 3.361 1.810 0.401 0.622 0.875 0.375 CB 0.477 9 residues pruned to eliminate duplicates Z: 35 19.765 1.913 0.538 0.460 0.941 0.647 CB 1.275 35 residues pruned to eliminate duplicates Z: 21 17.033 1.847 0.820 0.565 0.950 0.650 CB 1.119 21 residues pruned to eliminate duplicates Z: 12 5.796 1.853 0.448 0.383 0.636 0.545 CB 1.160 Z: 35 28.351 1.925 1.049 0.552 0.882 0.529 CB 1.328 35 residues pruned to eliminate duplicates Z: 10 4.749 1.497 0.720 0.376 0.778 0.556 CB 0.902 Z: 37 19.135 1.845 0.764 0.445 0.917 0.667 CB 1.132 37 residues pruned to eliminate duplicates Z: 48 31.970 1.826 0.707 0.600 0.915 0.660 CB 1.487 48 residues pruned to eliminate duplicates Z: 12 18.537 1.838 0.811 0.829 0.909 0.727 CB 1.390 12 residues pruned to eliminate duplicates Z: 24 24.579 1.875 0.832 0.751 0.870 0.696 CB 1.372 24 residues pruned to eliminate duplicates Z: 9 10.796 1.738 0.640 0.727 0.875 0.500 CB 1.247 9 residues pruned to eliminate duplicates Z: 9 8.180 1.752 0.511 0.656 1.000 0.625 CB 0.946 Z: 12 6.348 1.872 0.502 0.726 1.000 0.545 CB 0.555 Z: 7 4.195 1.333 0.509 0.658 0.833 0.667 CB 0.882 Z: 21 17.362 1.667 0.889 0.669 0.800 0.450 CB 1.319 21 residues pruned to eliminate duplicates Z: 41 25.993 1.920 0.779 0.515 0.925 0.800 CB 1.282 41 residues pruned to eliminate duplicates 6 1.509 1.877 0.931 0.861 1.000 0.800 CB 0.137 ? Z: 6 3.025 1.170 0.332 0.724 0.800 0.600 CA 0.887 Z: 11 4.246 1.641 0.349 0.522 0.900 0.500 CB 0.659 Z: 19 19.312 1.889 0.586 0.925 1.000 0.889 CB 1.066 19 residues pruned to eliminate duplicates Z: 8 6.070 1.589 0.656 0.556 1.000 0.714 CB 0.826 Z: 7 7.852 1.644 0.190 0.792 1.000 0.333 O 1.267 7 residues pruned to eliminate duplicates Z: 11 10.193 1.764 0.580 0.837 1.000 0.600 CB 0.865 11 residues pruned to eliminate duplicates Z: 19 18.684 1.969 0.716 0.641 0.944 0.722 CB 1.209 19 residues pruned to eliminate duplicates Z: 19 21.683 1.868 0.944 0.827 0.944 0.667 CB 1.123 19 residues pruned to eliminate duplicates Z: 15 15.862 1.864 0.933 0.530 1.000 0.714 CB 1.142 15 residues pruned to eliminate duplicates Z: 19 11.564 1.775 0.731 0.455 0.889 0.556 CB 1.045 18 residues pruned to eliminate duplicates Z: 12 6.075 1.700 0.475 0.211 0.818 0.545 CB 1.256 12 residues pruned to eliminate duplicates Z: 7 2.437 1.495 0.497 0.337 0.500 0.333 CB 1.063 7 residues pruned to eliminate duplicates Z: 6 4.798 1.849 0.930 0.657 1.000 0.800 CB 0.520 Z: 34 31.469 1.856 0.793 0.670 0.970 0.636 CB 1.451 34 residues pruned to eliminate duplicates Z: 7 3.692 1.929 0.401 0.845 0.833 0.833 CB 0.498 7 residues pruned to eliminate duplicates Z: 25 16.755 1.854 0.731 0.482 0.917 0.542 CB 1.184 25 residues pruned to eliminate duplicates Z: 37 23.519 1.906 0.755 0.422 0.944 0.750 CB 1.346 37 residues pruned to eliminate duplicates Z: 21 24.433 1.842 1.185 0.797 0.900 0.400 CB 1.162 21 residues pruned to eliminate duplicates Z: 9 4.252 1.583 0.617 0.460 0.625 0.500 N 0.978 Z: 7 5.581 1.549 0.588 0.494 1.000 0.667 CB 0.932 Z: 12 19.829 1.706 0.801 0.892 1.000 0.909 CB 1.398 12 residues pruned to eliminate duplicates Z: 12 18.817 2.036 0.747 0.859 0.909 0.818 CB 1.291 12 residues pruned to eliminate duplicates Z: 16 10.674 1.705 0.693 0.385 0.867 0.600 N 1.245 26 residues pruned to eliminate duplicates Z: 12 15.937 1.702 0.896 0.824 0.909 0.545 CB 1.237 12 residues pruned to eliminate duplicates Z: 21 8.199 1.793 0.596 0.380 0.700 0.350 CB 1.039 21 residues pruned to eliminate duplicates 9 1.696 1.617 -0.054 0.622 0.875 0.750 CB 0.399 ? Z: 9 3.511 1.805 -0.152 0.590 0.875 0.500 CB 0.851 Z: 6 3.333 1.855 -0.032 0.381 0.800 0.400 CA 1.178 6 residues pruned to eliminate duplicates 474 residues left after pruning, divided into chains as follows: A: 52 B: 75 C: 52 D: 185 E: 110 CC for partial structure against native data = 43.55 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.684, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.805, Connect. = 0.785 for dens.mod. cycle 2 = 0.300, Contrast = 0.956, Connect. = 0.802 for dens.mod. cycle 3 = 0.300, Contrast = 0.986, Connect. = 0.803 for dens.mod. cycle 4 = 0.300, Contrast = 1.006, Connect. = 0.804 for dens.mod. cycle 5 = 0.300, Contrast = 1.013, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 1.018, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 1.018, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 1.017, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 1.014, Connect. = 0.806 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2301 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 515 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 17.613 1.948 0.583 0.642 0.857 0.500 CB 1.559 B: 10 28.628 2.219 1.083 0.705 1.000 0.778 CB 1.712 15 residues pruned to eliminate duplicates C: 15 25.302 1.941 0.709 0.898 1.000 0.857 CB 1.459 D: 12 26.898 2.160 1.060 0.853 0.909 0.545 CB 1.481 E: 19 31.485 2.018 0.886 0.908 0.944 0.889 CB 1.466 F: 12 28.701 2.123 0.957 0.850 0.909 0.636 CB 1.697 11 residues pruned to eliminate duplicates G: 22 22.417 2.017 0.816 0.730 0.905 0.714 CB 1.200 H: 14 21.168 2.031 0.983 0.832 0.846 0.769 CB 1.293 I: 16 30.319 1.916 0.999 0.918 1.000 0.933 CB 1.441 J: 19 28.633 2.045 0.779 0.929 0.944 0.833 CB 1.374 K: 12 5.058 1.669 0.660 0.333 0.727 0.455 CB 0.909 L: 11 16.770 1.856 0.375 0.879 1.000 0.900 CB 1.506 M: 94 49.484 2.072 0.829 0.570 0.903 0.602 CB 1.401 13 residues pruned to eliminate duplicates N: 24 14.835 1.885 0.720 0.342 0.826 0.435 CB 1.372 24 residues pruned to eliminate duplicates O: 21 21.575 1.988 0.606 0.735 1.000 0.750 CB 1.224 22 residues pruned to eliminate duplicates P: 11 33.997 2.237 1.130 0.868 1.000 0.600 CB 1.649 11 residues pruned to eliminate duplicates Q: 19 29.678 2.014 0.705 0.907 1.000 0.889 CB 1.448 18 residues pruned to eliminate duplicates R: 89 52.760 2.129 0.915 0.559 0.909 0.625 CB 1.432 67 residues pruned to eliminate duplicates S: 6 5.676 1.780 0.287 0.562 0.800 0.600 CB 1.305 6 residues pruned to eliminate duplicates T: 18 17.979 1.981 0.792 0.488 0.824 0.706 CB 1.509 18 residues pruned to eliminate duplicates U: 125 58.325 2.105 0.883 0.514 0.895 0.637 CB 1.456 89 residues pruned to eliminate duplicates V: 22 29.974 2.077 0.694 0.817 0.952 0.667 CB 1.482 16 residues pruned to eliminate duplicates W: 9 14.571 1.809 1.053 0.703 0.875 0.625 CA 1.318 X: 33 13.615 1.913 0.501 0.309 0.812 0.594 CB 1.276 Y: 13 32.737 2.098 1.046 0.913 1.000 0.917 CB 1.558 13 residues pruned to eliminate duplicates Z: 13 13.947 1.772 0.487 0.740 0.917 0.750 CB 1.344 12 residues pruned to eliminate duplicates Z: 15 17.836 1.990 0.548 0.881 0.857 0.786 CB 1.307 15 residues pruned to eliminate duplicates Z: 10 9.509 2.015 0.615 0.308 0.889 0.778 CB 1.356 10 residues pruned to eliminate duplicates Z: 12 24.287 2.052 0.710 0.869 1.000 0.818 CB 1.525 12 residues pruned to eliminate duplicates Z: 12 18.149 1.818 0.580 0.902 1.000 0.727 CB 1.359 12 residues pruned to eliminate duplicates Z: 21 21.638 2.049 0.592 0.813 0.950 0.850 CB 1.189 21 residues pruned to eliminate duplicates Z: 22 14.910 1.979 0.496 0.600 0.905 0.810 CB 1.105 8 residues pruned to eliminate duplicates Z: 11 24.054 1.922 0.764 0.895 1.000 0.800 CB 1.609 11 residues pruned to eliminate duplicates Z: 16 18.270 1.936 0.742 0.776 0.733 0.467 CB 1.495 10 residues pruned to eliminate duplicates Z: 16 22.576 1.907 0.617 0.895 1.000 0.867 CB 1.355 16 residues pruned to eliminate duplicates Z: 29 18.982 1.931 0.594 0.369 0.929 0.571 CB 1.445 29 residues pruned to eliminate duplicates Z: 12 26.313 2.159 0.798 0.763 0.909 0.636 N 1.780 12 residues pruned to eliminate duplicates Z: 7 9.132 1.830 0.932 0.585 0.833 0.500 CB 1.166 Z: 10 13.937 1.836 0.628 0.725 1.000 0.889 CB 1.268 10 residues pruned to eliminate duplicates Z: 9 10.557 1.886 1.102 0.483 0.750 0.500 CB 1.277 Z: 19 23.198 2.179 0.522 0.782 0.889 0.722 CB 1.447 25 residues pruned to eliminate duplicates Z: 15 8.944 1.790 0.843 0.419 0.786 0.714 CB 1.004 13 residues pruned to eliminate duplicates Z: 19 33.621 1.983 0.920 0.863 1.000 0.778 CB 1.528 18 residues pruned to eliminate duplicates Z: 12 20.164 2.062 0.876 0.874 0.909 0.818 CB 1.259 12 residues pruned to eliminate duplicates Z: 6 17.046 2.031 0.957 0.857 1.000 0.800 CB 1.414 7 residues pruned to eliminate duplicates Z: 12 17.583 1.996 0.353 0.915 1.000 0.818 CB 1.387 12 residues pruned to eliminate duplicates Z: 8 15.982 1.767 0.797 0.836 1.000 0.857 N 1.424 6 residues pruned to eliminate duplicates Z: 12 8.864 1.900 0.579 0.451 0.727 0.455 CB 1.289 16 residues pruned to eliminate duplicates Z: 19 29.638 1.978 1.178 0.812 0.944 0.778 CB 1.309 19 residues pruned to eliminate duplicates Z: 13 20.384 1.997 0.618 0.899 0.917 0.917 CB 1.420 13 residues pruned to eliminate duplicates Z: 12 16.446 1.841 0.323 0.840 1.000 0.727 O 1.519 Z: 16 22.241 1.975 0.559 0.887 0.933 0.867 CB 1.441 16 residues pruned to eliminate duplicates Z: 54 42.333 2.115 0.931 0.544 0.887 0.642 CB 1.538 54 residues pruned to eliminate duplicates Z: 11 18.095 1.929 0.267 0.902 1.000 0.900 CB 1.669 12 residues pruned to eliminate duplicates Z: 15 27.900 2.089 0.875 0.856 0.929 0.929 CB 1.512 15 residues pruned to eliminate duplicates Z: 7 8.999 1.980 0.542 0.600 1.000 0.500 CB 1.094 7 residues pruned to eliminate duplicates Z: 7 12.568 1.904 0.860 0.816 1.000 0.667 CB 1.101 Z: 30 42.600 2.186 1.027 0.657 0.931 0.621 CB 1.658 30 residues pruned to eliminate duplicates Z: 22 14.965 1.924 0.561 0.697 0.952 0.714 CB 0.953 22 residues pruned to eliminate duplicates Z: 20 21.930 2.065 0.425 0.824 0.947 0.789 CB 1.362 20 residues pruned to eliminate duplicates Z: 19 34.282 2.204 0.858 0.754 0.944 0.667 CB 1.666 24 residues pruned to eliminate duplicates Z: 19 33.036 2.004 0.816 0.911 1.000 0.722 CB 1.516 19 residues pruned to eliminate duplicates Z: 18 29.306 2.038 0.633 0.931 1.000 0.882 CB 1.493 18 residues pruned to eliminate duplicates Z: 23 17.292 2.032 0.767 0.577 0.864 0.682 CB 1.104 27 residues pruned to eliminate duplicates Z: 15 27.334 2.114 0.563 0.891 1.000 0.857 CB 1.589 15 residues pruned to eliminate duplicates Z: 11 19.501 1.896 0.407 0.887 1.000 1.000 CB 1.666 10 residues pruned to eliminate duplicates Z: 12 23.705 2.130 1.149 0.846 0.818 0.455 CB 1.419 12 residues pruned to eliminate duplicates Z: 28 15.015 2.021 0.603 0.304 0.815 0.593 CB 1.362 28 residues pruned to eliminate duplicates Z: 7 4.988 1.962 0.376 0.550 0.667 0.500 CB 1.078 7 residues pruned to eliminate duplicates Z: 45 39.194 2.159 0.805 0.636 0.932 0.705 CB 1.432 45 residues pruned to eliminate duplicates Z: 15 17.419 1.836 0.708 0.814 0.929 0.714 CB 1.217 14 residues pruned to eliminate duplicates Z: 12 25.722 2.114 1.033 0.919 1.000 0.909 CB 1.272 12 residues pruned to eliminate duplicates Z: 15 20.630 1.931 0.659 0.876 1.000 0.714 CB 1.250 15 residues pruned to eliminate duplicates Z: 12 28.115 2.074 1.172 0.895 1.000 0.545 CB 1.348 12 residues pruned to eliminate duplicates Z: 15 13.197 1.933 0.796 0.471 0.786 0.500 CB 1.332 Z: 13 30.831 2.029 1.033 0.893 1.000 0.667 CB 1.549 13 residues pruned to eliminate duplicates Z: 85 37.290 1.943 0.787 0.500 0.893 0.548 CB 1.313 45 residues pruned to eliminate duplicates Z: 18 18.095 2.038 0.562 0.656 0.941 0.647 CB 1.268 18 residues pruned to eliminate duplicates Z: 16 20.641 1.879 0.604 0.910 1.000 0.667 CB 1.255 16 residues pruned to eliminate duplicates Z: 20 31.308 2.044 0.858 0.872 1.000 0.737 CB 1.379 19 residues pruned to eliminate duplicates Z: 22 21.656 1.975 0.518 0.784 0.952 0.762 CB 1.289 22 residues pruned to eliminate duplicates Z: 11 22.921 2.074 0.802 0.796 1.000 0.700 CB 1.497 11 residues pruned to eliminate duplicates Z: 10 7.279 1.839 0.790 0.439 0.778 0.556 CB 1.009 Z: 11 27.623 2.264 0.818 0.908 1.000 1.000 CB 1.508 11 residues pruned to eliminate duplicates Z: 17 29.257 1.995 0.772 0.939 1.000 0.938 CB 1.437 17 residues pruned to eliminate duplicates Z: 58 45.994 2.124 0.937 0.587 0.877 0.614 CB 1.553 58 residues pruned to eliminate duplicates Z: 30 10.130 1.877 0.342 0.273 0.759 0.448 CB 1.273 30 residues pruned to eliminate duplicates Z: 7 3.576 1.606 0.510 0.545 0.667 0.667 O 0.864 Z: 9 8.756 1.851 0.568 0.574 0.750 0.625 CB 1.323 Z: 42 39.914 2.103 0.869 0.629 0.951 0.659 CB 1.476 44 residues pruned to eliminate duplicates Z: 42 29.204 2.119 0.754 0.510 0.927 0.683 CB 1.312 42 residues pruned to eliminate duplicates Z: 20 28.348 1.960 0.658 0.913 0.947 0.947 CB 1.495 20 residues pruned to eliminate duplicates Z: 30 19.430 1.955 0.770 0.445 0.828 0.483 CB 1.333 30 residues pruned to eliminate duplicates Z: 10 14.579 1.861 0.632 0.654 1.000 0.889 CB 1.387 9 residues pruned to eliminate duplicates Z: 25 16.447 2.047 0.479 0.568 0.917 0.750 CB 1.133 25 residues pruned to eliminate duplicates Z: 26 19.587 1.911 0.807 0.483 0.920 0.560 CB 1.254 26 residues pruned to eliminate duplicates Z: 19 40.952 2.011 1.129 0.940 1.000 0.778 CB 1.566 20 residues pruned to eliminate duplicates Z: 20 24.674 2.131 0.533 0.741 0.895 0.579 CB 1.561 20 residues pruned to eliminate duplicates Z: 14 19.767 1.981 0.583 0.853 0.923 0.692 CB 1.400 14 residues pruned to eliminate duplicates Z: 11 6.302 1.866 0.348 0.300 0.700 0.500 CB 1.414 Z: 12 29.699 2.106 1.138 0.818 1.000 0.818 CB 1.508 12 residues pruned to eliminate duplicates Z: 18 31.828 2.060 0.762 0.936 1.000 1.000 CB 1.481 18 residues pruned to eliminate duplicates Z: 17 27.371 2.088 0.600 0.946 1.000 1.000 CB 1.417 17 residues pruned to eliminate duplicates Z: 22 30.481 2.007 0.768 0.878 0.952 0.762 CB 1.428 21 residues pruned to eliminate duplicates Z: 9 8.748 2.131 0.437 0.508 0.750 0.625 CB 1.336 9 residues pruned to eliminate duplicates Z: 20 24.684 2.048 0.581 0.836 0.947 0.842 CB 1.382 20 residues pruned to eliminate duplicates Z: 15 33.285 2.105 1.008 0.936 1.000 1.000 CB 1.466 15 residues pruned to eliminate duplicates Z: 18 25.606 2.057 0.395 0.946 1.000 1.000 CB 1.498 18 residues pruned to eliminate duplicates Z: 52 48.058 2.099 0.977 0.659 0.922 0.667 CB 1.518 38 residues pruned to eliminate duplicates Z: 20 29.814 2.039 0.773 0.913 0.947 0.789 CB 1.413 20 residues pruned to eliminate duplicates Z: 21 22.648 2.051 0.456 0.801 0.950 0.700 CB 1.372 21 residues pruned to eliminate duplicates Z: 17 15.346 1.663 0.528 0.752 0.875 0.562 O 1.379 17 residues pruned to eliminate duplicates Z: 14 23.434 1.857 0.946 0.872 0.923 0.846 CA 1.420 14 residues pruned to eliminate duplicates Z: 6 3.423 1.709 0.694 0.333 0.600 0.600 CB 1.058 Z: 102 51.020 2.114 0.748 0.525 0.911 0.624 CB 1.472 102 residues pruned to eliminate duplicates Z: 68 36.185 2.032 0.694 0.489 0.925 0.657 CB 1.404 68 residues pruned to eliminate duplicates Z: 19 10.871 1.802 0.593 0.418 0.889 0.500 CB 1.094 19 residues pruned to eliminate duplicates Z: 13 20.402 1.950 0.739 0.892 0.917 0.833 CB 1.361 Z: 19 13.575 1.877 0.660 0.550 0.778 0.611 CB 1.257 19 residues pruned to eliminate duplicates Z: 22 23.003 1.985 0.611 0.777 0.952 0.619 CB 1.291 22 residues pruned to eliminate duplicates Z: 14 16.780 1.839 0.647 0.762 0.923 0.769 CB 1.319 Z: 20 28.536 2.020 0.778 0.915 0.947 0.579 CB 1.360 20 residues pruned to eliminate duplicates Z: 13 29.478 2.037 1.017 0.868 0.917 0.750 CB 1.652 13 residues pruned to eliminate duplicates Z: 21 12.696 1.801 0.497 0.531 0.900 0.600 CB 1.135 21 residues pruned to eliminate duplicates Z: 10 10.150 1.669 0.670 0.686 0.889 0.667 CB 1.151 10 residues pruned to eliminate duplicates Z: 19 30.674 2.000 1.095 0.900 0.944 0.611 CB 1.305 19 residues pruned to eliminate duplicates Z: 11 15.167 1.918 0.230 0.903 1.000 1.000 CB 1.450 11 residues pruned to eliminate duplicates Z: 8 15.526 1.802 1.190 0.797 0.857 0.714 CB 1.338 8 residues pruned to eliminate duplicates Z: 14 18.224 1.841 0.748 0.727 0.846 0.462 CB 1.513 14 residues pruned to eliminate duplicates Z: 14 31.399 2.156 0.745 0.906 1.000 0.923 CB 1.647 14 residues pruned to eliminate duplicates Z: 8 16.357 1.791 0.629 0.879 1.000 0.857 CA 1.537 8 residues pruned to eliminate duplicates Z: 14 31.085 2.143 0.873 0.911 1.000 0.846 CB 1.522 14 residues pruned to eliminate duplicates Z: 14 27.404 2.045 1.063 0.863 1.000 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 13 33.033 2.101 1.191 0.815 1.000 0.750 CB 1.575 13 residues pruned to eliminate duplicates Z: 19 33.752 2.053 1.052 0.927 0.944 0.722 CB 1.401 21 residues pruned to eliminate duplicates Z: 10 29.387 2.266 1.038 0.801 1.000 0.667 CB 1.631 10 residues pruned to eliminate duplicates Z: 23 16.562 1.935 0.696 0.437 0.864 0.636 CB 1.330 23 residues pruned to eliminate duplicates Z: 22 18.111 2.014 0.452 0.804 0.905 0.857 CB 1.146 22 residues pruned to eliminate duplicates Z: 14 31.158 2.179 0.718 0.934 1.000 1.000 CB 1.610 14 residues pruned to eliminate duplicates Z: 14 23.377 2.097 0.613 0.863 1.000 0.846 CB 1.407 14 residues pruned to eliminate duplicates Z: 9 14.471 1.784 0.782 0.769 0.875 0.750 CB 1.449 Z: 10 17.552 2.015 0.832 0.638 1.000 0.556 CB 1.392 10 residues pruned to eliminate duplicates Z: 17 8.749 1.760 0.603 0.448 0.875 0.562 CB 0.935 17 residues pruned to eliminate duplicates Z: 24 16.595 1.887 0.469 0.573 0.913 0.739 CB 1.274 14 residues pruned to eliminate duplicates Z: 21 31.224 2.016 0.879 0.855 0.950 0.650 CB 1.432 21 residues pruned to eliminate duplicates Z: 10 3.506 1.593 0.568 0.285 0.667 0.444 N 0.894 Z: 8 9.626 1.904 0.536 0.638 1.000 0.857 CB 1.092 Z: 14 14.820 1.617 0.809 0.698 0.846 0.538 CA 1.386 13 residues pruned to eliminate duplicates Z: 40 38.763 2.110 0.767 0.660 0.923 0.795 CB 1.555 40 residues pruned to eliminate duplicates Z: 52 30.747 1.964 0.674 0.636 0.922 0.725 CB 1.251 52 residues pruned to eliminate duplicates Z: 12 19.511 2.036 0.409 0.922 1.000 0.909 CB 1.442 12 residues pruned to eliminate duplicates Z: 15 23.754 2.012 1.056 0.880 0.857 0.571 CB 1.298 15 residues pruned to eliminate duplicates Z: 12 19.887 1.854 0.793 0.818 0.909 0.636 CB 1.505 12 residues pruned to eliminate duplicates Z: 20 28.763 2.067 0.655 0.835 1.000 0.789 CB 1.445 20 residues pruned to eliminate duplicates Z: 20 17.255 1.766 0.547 0.711 0.895 0.737 CB 1.337 14 residues pruned to eliminate duplicates Z: 86 30.446 1.851 0.663 0.515 0.894 0.588 CB 1.182 75 residues pruned to eliminate duplicates Z: 102 53.069 2.083 0.833 0.553 0.950 0.673 CB 1.382 102 residues pruned to eliminate duplicates Z: 14 20.872 1.788 0.859 0.831 0.923 0.538 CB 1.417 14 residues pruned to eliminate duplicates Z: 9 11.933 1.708 0.643 0.851 1.000 0.750 CB 1.113 9 residues pruned to eliminate duplicates Z: 30 12.971 1.893 0.412 0.295 0.897 0.483 CB 1.263 30 residues pruned to eliminate duplicates Z: 21 18.126 1.978 0.632 0.683 0.900 0.750 CB 1.178 20 residues pruned to eliminate duplicates Z: 11 20.045 1.906 0.563 0.918 1.000 0.600 CA 1.500 11 residues pruned to eliminate duplicates Z: 21 14.356 1.999 0.764 0.351 0.900 0.500 CB 1.188 21 residues pruned to eliminate duplicates Z: 7 7.733 1.731 1.204 0.448 0.833 0.500 CB 1.048 Z: 19 32.711 2.191 0.802 0.739 0.944 0.667 CB 1.669 19 residues pruned to eliminate duplicates Z: 15 29.920 2.086 0.791 0.905 1.000 0.929 CB 1.523 15 residues pruned to eliminate duplicates Z: 16 22.265 1.929 0.663 0.899 1.000 0.867 CB 1.281 16 residues pruned to eliminate duplicates Z: 13 7.575 1.811 0.897 0.369 0.750 0.500 CB 0.977 13 residues pruned to eliminate duplicates Z: 10 13.855 1.634 1.017 0.706 0.889 0.556 CA 1.307 10 residues pruned to eliminate duplicates Z: 6 9.680 1.499 0.813 0.786 1.000 1.000 O 1.238 6 residues pruned to eliminate duplicates Z: 26 13.819 1.834 0.554 0.521 0.800 0.640 CB 1.187 26 residues pruned to eliminate duplicates Z: 12 25.285 1.989 1.121 0.923 1.000 0.909 CB 1.270 12 residues pruned to eliminate duplicates Z: 6 12.333 1.957 0.602 0.703 1.000 0.600 CB 1.462 6 residues pruned to eliminate duplicates Z: 23 16.998 2.041 0.433 0.599 0.955 0.682 CB 1.182 23 residues pruned to eliminate duplicates Z: 28 22.566 1.997 0.459 0.674 0.963 0.852 CB 1.318 40 residues pruned to eliminate duplicates Z: 56 40.825 1.953 0.849 0.620 0.964 0.655 CB 1.413 56 residues pruned to eliminate duplicates Z: 9 16.695 1.858 0.682 0.773 1.000 1.000 CB 1.483 6 residues pruned to eliminate duplicates Z: 13 17.128 1.932 0.621 0.762 0.833 0.833 CB 1.501 13 residues pruned to eliminate duplicates Z: 7 11.218 1.946 0.732 0.661 0.833 0.833 CB 1.404 7 residues pruned to eliminate duplicates Z: 19 7.234 1.829 0.145 0.313 0.889 0.278 CB 1.127 19 residues pruned to eliminate duplicates Z: 72 36.798 2.097 0.663 0.528 0.887 0.690 CB 1.373 72 residues pruned to eliminate duplicates Z: 21 22.665 2.041 0.542 0.771 0.950 0.600 CB 1.333 21 residues pruned to eliminate duplicates Z: 26 26.461 2.086 0.833 0.519 0.840 0.520 CB 1.616 26 residues pruned to eliminate duplicates Z: 26 29.361 2.125 0.944 0.511 0.840 0.560 CB 1.673 26 residues pruned to eliminate duplicates Z: 13 20.988 1.903 0.516 0.926 1.000 0.917 CB 1.474 13 residues pruned to eliminate duplicates Z: 52 32.533 1.999 0.862 0.522 0.922 0.588 CB 1.299 52 residues pruned to eliminate duplicates Z: 118 44.752 1.918 0.700 0.605 0.872 0.632 CB 1.317 215 residues pruned to eliminate duplicates Z: 22 18.129 1.742 0.544 0.747 0.905 0.571 CB 1.303 22 residues pruned to eliminate duplicates Z: 56 47.269 2.042 1.003 0.650 0.945 0.655 CB 1.433 54 residues pruned to eliminate duplicates Z: 49 32.804 1.993 0.807 0.514 0.854 0.583 CB 1.518 49 residues pruned to eliminate duplicates Z: 6 4.824 1.746 0.377 0.594 0.600 0.600 O 1.368 Z: 13 21.779 1.822 0.834 0.904 1.000 0.833 CA 1.340 Z: 18 13.598 1.769 0.389 0.763 0.824 0.647 CB 1.290 18 residues pruned to eliminate duplicates Z: 7 11.587 1.830 0.498 0.862 1.000 1.000 N 1.267 7 residues pruned to eliminate duplicates Z: 6 3.786 1.937 0.501 0.852 1.000 0.800 CB 0.431 Z: 14 17.125 1.946 0.909 0.522 0.846 0.692 CB 1.479 14 residues pruned to eliminate duplicates Z: 11 23.510 1.945 0.650 0.908 1.000 1.000 CB 1.645 11 residues pruned to eliminate duplicates Z: 12 21.246 1.947 0.630 0.897 1.000 0.909 CB 1.445 12 residues pruned to eliminate duplicates Z: 29 14.365 1.980 0.546 0.323 0.821 0.571 CB 1.312 29 residues pruned to eliminate duplicates Z: 15 19.009 2.025 0.298 0.900 1.000 0.857 CB 1.380 15 residues pruned to eliminate duplicates Z: 22 20.531 2.014 0.484 0.643 0.952 0.810 CB 1.376 23 residues pruned to eliminate duplicates Z: 33 19.739 1.905 0.684 0.546 0.844 0.562 CB 1.233 33 residues pruned to eliminate duplicates Z: 13 22.191 1.862 0.792 0.850 1.000 0.833 CA 1.422 13 residues pruned to eliminate duplicates Z: 54 45.041 2.068 0.871 0.667 0.925 0.660 CB 1.482 56 residues pruned to eliminate duplicates Z: 6 8.340 1.887 0.453 0.571 0.800 0.800 N 1.588 6 residues pruned to eliminate duplicates Z: 25 22.067 1.984 0.833 0.595 0.917 0.542 CB 1.234 25 residues pruned to eliminate duplicates Z: 24 23.561 1.816 0.837 0.753 0.957 0.739 CB 1.229 24 residues pruned to eliminate duplicates Z: 6 4.158 1.840 0.170 0.439 0.800 0.400 CB 1.150 4 residues pruned to eliminate duplicates Z: 56 30.029 1.980 0.645 0.547 0.927 0.655 CB 1.281 56 residues pruned to eliminate duplicates Z: 18 20.933 1.739 0.655 0.907 1.000 0.824 CB 1.254 15 residues pruned to eliminate duplicates Z: 7 15.286 2.018 0.653 0.823 1.000 0.833 CB 1.414 7 residues pruned to eliminate duplicates Z: 11 6.451 1.699 1.021 0.309 0.700 0.600 CB 1.049 Z: 12 29.680 1.974 1.077 0.921 1.000 0.818 CB 1.536 12 residues pruned to eliminate duplicates Z: 12 10.473 1.579 0.680 0.521 0.909 0.636 CA 1.283 12 residues pruned to eliminate duplicates Z: 36 17.361 1.854 0.783 0.420 0.800 0.486 CB 1.207 36 residues pruned to eliminate duplicates Z: 7 12.829 1.970 0.809 0.523 1.000 0.667 CB 1.435 Z: 6 12.091 1.937 0.917 0.770 1.000 0.600 CB 1.146 6 residues pruned to eliminate duplicates Z: 21 26.511 2.090 0.840 0.546 0.950 0.600 CB 1.553 21 residues pruned to eliminate duplicates Z: 14 26.909 1.998 0.974 0.925 0.923 0.846 CB 1.438 14 residues pruned to eliminate duplicates Z: 19 27.555 2.046 1.142 0.880 0.889 0.667 CB 1.208 19 residues pruned to eliminate duplicates Z: 24 20.746 1.832 0.843 0.774 0.870 0.783 CB 1.156 24 residues pruned to eliminate duplicates Z: 18 25.611 1.926 0.853 0.743 0.941 0.706 CB 1.488 18 residues pruned to eliminate duplicates Z: 16 6.408 1.775 0.452 0.423 0.800 0.400 CB 0.869 Z: 15 31.525 2.103 0.879 0.933 1.000 1.000 CB 1.489 15 residues pruned to eliminate duplicates Z: 11 14.153 1.887 0.567 0.795 0.900 0.400 CB 1.299 11 residues pruned to eliminate duplicates Z: 30 15.598 1.968 0.501 0.473 0.862 0.586 CB 1.168 24 residues pruned to eliminate duplicates Z: 23 21.444 1.907 0.542 0.797 0.955 0.864 CB 1.256 23 residues pruned to eliminate duplicates Z: 19 33.577 2.028 1.164 0.910 0.889 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 28 33.808 2.092 0.875 0.674 0.926 0.741 CB 1.525 26 residues pruned to eliminate duplicates Z: 11 15.037 1.888 0.486 0.888 1.000 0.700 CB 1.222 11 residues pruned to eliminate duplicates Z: 18 10.896 1.844 0.485 0.407 0.941 0.647 CB 1.131 Z: 13 22.938 1.908 0.727 0.932 1.000 0.917 CB 1.402 13 residues pruned to eliminate duplicates Z: 19 7.750 1.864 0.645 0.309 0.667 0.444 CB 1.104 19 residues pruned to eliminate duplicates Z: 14 10.687 1.926 0.668 0.364 0.692 0.462 N 1.542 14 residues pruned to eliminate duplicates Z: 12 28.298 1.942 1.205 0.922 1.000 0.909 CB 1.402 12 residues pruned to eliminate duplicates Z: 21 25.149 2.050 0.652 0.815 0.950 0.700 CB 1.330 21 residues pruned to eliminate duplicates Z: 12 24.772 1.828 0.846 0.890 1.000 0.818 O 1.593 Z: 12 20.078 1.793 0.744 0.889 1.000 0.909 CA 1.394 12 residues pruned to eliminate duplicates Z: 58 33.076 2.000 0.734 0.556 0.895 0.649 CB 1.337 23 residues pruned to eliminate duplicates Z: 22 23.803 2.004 0.648 0.812 0.952 0.810 CB 1.259 22 residues pruned to eliminate duplicates Z: 20 27.101 1.928 0.698 0.872 0.947 0.789 CB 1.461 20 residues pruned to eliminate duplicates Z: 15 23.828 1.940 0.648 0.898 1.000 0.857 CB 1.425 15 residues pruned to eliminate duplicates Z: 10 13.574 1.918 0.396 0.856 1.000 0.778 CB 1.246 10 residues pruned to eliminate duplicates Z: 13 20.340 1.778 0.693 0.848 0.917 0.667 N 1.579 13 residues pruned to eliminate duplicates Z: 15 28.990 2.080 0.761 0.886 1.000 0.857 CB 1.527 15 residues pruned to eliminate duplicates Z: 61 33.703 1.873 0.780 0.608 0.917 0.617 CB 1.285 61 residues pruned to eliminate duplicates Z: 18 32.624 2.019 1.317 0.873 0.882 0.294 CB 1.396 18 residues pruned to eliminate duplicates Z: 21 13.360 1.934 0.516 0.560 0.850 0.550 CB 1.132 21 residues pruned to eliminate duplicates Z: 13 15.159 1.928 0.339 0.932 1.000 1.000 CB 1.183 13 residues pruned to eliminate duplicates Z: 13 17.958 1.758 0.578 0.857 0.917 0.833 CA 1.502 13 residues pruned to eliminate duplicates Z: 18 14.795 1.817 0.364 0.682 0.941 0.882 CB 1.301 18 residues pruned to eliminate duplicates Z: 9 10.814 1.857 0.566 0.729 0.875 0.750 CB 1.223 9 residues pruned to eliminate duplicates Z: 9 6.860 1.628 0.654 0.490 0.625 0.500 CB 1.456 9 residues pruned to eliminate duplicates Z: 15 23.627 1.957 0.610 0.901 1.000 1.000 CB 1.431 15 residues pruned to eliminate duplicates Z: 17 14.612 1.908 0.892 0.366 0.938 0.500 CB 1.247 17 residues pruned to eliminate duplicates Z: 9 4.973 1.816 0.516 0.310 0.750 0.500 CB 1.052 Z: 13 24.292 2.003 0.875 0.911 0.917 0.833 CB 1.444 13 residues pruned to eliminate duplicates Z: 13 23.663 1.767 0.790 0.867 1.000 0.750 N 1.580 13 residues pruned to eliminate duplicates Z: 57 24.638 1.910 0.523 0.460 0.893 0.536 CB 1.321 57 residues pruned to eliminate duplicates Z: 20 15.439 1.787 0.624 0.682 0.737 0.579 CB 1.402 20 residues pruned to eliminate duplicates Z: 13 29.812 2.078 0.978 0.910 1.000 0.667 CB 1.485 13 residues pruned to eliminate duplicates Z: 15 24.513 1.964 0.769 0.918 1.000 0.643 CB 1.330 15 residues pruned to eliminate duplicates Z: 28 23.095 1.967 0.923 0.559 0.852 0.519 CB 1.302 28 residues pruned to eliminate duplicates Z: 13 12.642 1.779 0.477 0.742 0.917 0.333 CB 1.220 13 residues pruned to eliminate duplicates Z: 6 6.450 1.861 0.337 0.746 0.600 0.400 CB 1.550 6 residues pruned to eliminate duplicates Z: 14 20.330 1.867 0.956 0.915 0.923 0.769 CB 1.182 14 residues pruned to eliminate duplicates Z: 15 19.272 1.832 0.823 0.868 0.929 0.857 CB 1.215 15 residues pruned to eliminate duplicates Z: 13 21.483 1.968 0.718 0.871 0.917 0.833 CB 1.460 13 residues pruned to eliminate duplicates Z: 15 25.584 2.133 0.642 0.855 0.929 0.786 CB 1.551 15 residues pruned to eliminate duplicates Z: 14 27.483 1.899 1.254 0.889 0.923 0.692 CB 1.388 14 residues pruned to eliminate duplicates Z: 18 21.776 1.911 0.731 0.727 0.882 0.588 CB 1.475 18 residues pruned to eliminate duplicates Z: 18 27.244 2.029 0.616 0.932 1.000 0.882 CB 1.407 18 residues pruned to eliminate duplicates Z: 16 21.952 1.719 1.000 0.832 0.933 0.733 CA 1.326 16 residues pruned to eliminate duplicates Z: 11 17.623 1.966 0.608 0.884 0.900 0.800 CB 1.415 11 residues pruned to eliminate duplicates Z: 19 33.366 2.058 0.900 0.880 0.944 0.667 CB 1.543 19 residues pruned to eliminate duplicates Z: 22 22.066 1.980 0.490 0.840 0.952 0.905 CB 1.278 22 residues pruned to eliminate duplicates Z: 60 45.664 2.098 0.972 0.614 0.847 0.627 CB 1.522 60 residues pruned to eliminate duplicates Z: 20 25.945 1.889 0.792 0.893 0.895 0.789 CB 1.411 20 residues pruned to eliminate duplicates Z: 23 24.534 2.026 0.713 0.648 1.000 0.818 CB 1.313 25 residues pruned to eliminate duplicates Z: 16 14.910 1.858 0.614 0.668 0.800 0.600 CB 1.374 16 residues pruned to eliminate duplicates Z: 21 24.546 2.048 0.553 0.846 0.950 0.750 CB 1.349 21 residues pruned to eliminate duplicates Z: 7 5.141 1.741 0.532 0.311 0.667 0.333 O 1.457 Z: 7 5.893 1.741 0.480 0.719 0.833 0.833 CB 0.919 Z: 12 10.041 1.908 0.637 0.494 0.727 0.545 CB 1.341 11 residues pruned to eliminate duplicates Z: 12 13.623 1.853 0.691 0.507 1.000 0.636 CB 1.302 12 residues pruned to eliminate duplicates Z: 12 14.202 1.772 0.656 0.851 1.000 0.727 CB 1.080 12 residues pruned to eliminate duplicates Z: 19 18.425 1.985 0.939 0.389 0.889 0.556 CB 1.429 19 residues pruned to eliminate duplicates Z: 71 36.761 2.076 0.757 0.493 0.886 0.614 CB 1.370 71 residues pruned to eliminate duplicates Z: 14 18.107 1.842 0.609 0.871 0.923 0.692 CB 1.338 14 residues pruned to eliminate duplicates Z: 7 9.628 1.551 0.783 0.878 1.000 0.500 CB 1.031 7 residues pruned to eliminate duplicates Z: 8 3.414 1.649 0.452 0.295 0.571 0.429 O 1.188 Z: 9 4.311 1.724 0.461 0.288 0.625 0.500 CB 1.229 Z: 13 21.891 1.922 0.917 0.921 1.000 0.917 CB 1.207 15 residues pruned to eliminate duplicates Z: 21 14.392 1.898 0.766 0.443 0.850 0.600 CB 1.198 21 residues pruned to eliminate duplicates Z: 10 12.638 1.753 0.597 0.717 1.000 0.667 CB 1.236 10 residues pruned to eliminate duplicates Z: 21 26.203 2.118 0.840 0.519 0.850 0.650 CB 1.736 21 residues pruned to eliminate duplicates Z: 10 7.912 1.733 0.556 0.716 0.667 0.556 CB 1.207 10 residues pruned to eliminate duplicates Z: 6 3.614 1.923 0.061 0.713 0.800 0.600 CB 0.816 Z: 6 2.899 1.601 0.756 0.293 0.600 0.400 CB 0.969 7 residues pruned to eliminate duplicates Z: 13 11.893 1.739 0.554 0.697 1.000 0.667 CB 1.061 13 residues pruned to eliminate duplicates Z: 8 4.369 1.650 0.373 0.322 1.000 0.571 CB 0.886 Z: 19 18.228 1.823 0.680 0.755 0.833 0.667 CB 1.342 19 residues pruned to eliminate duplicates Z: 25 21.922 2.009 0.565 0.620 0.958 0.875 CB 1.326 25 residues pruned to eliminate duplicates Z: 8 10.409 1.965 0.345 0.589 1.000 0.714 CB 1.367 8 residues pruned to eliminate duplicates Z: 13 29.747 2.027 1.008 0.896 1.000 0.750 CB 1.512 13 residues pruned to eliminate duplicates Z: 13 12.576 1.580 0.429 0.834 0.917 0.667 CB 1.315 13 residues pruned to eliminate duplicates Z: 6 8.106 1.846 0.304 0.708 1.000 0.800 CB 1.246 6 residues pruned to eliminate duplicates Z: 22 26.003 1.969 0.719 0.836 0.905 0.762 CB 1.387 22 residues pruned to eliminate duplicates Z: 36 24.887 1.966 0.920 0.586 0.857 0.800 CB 1.197 28 residues pruned to eliminate duplicates Z: 13 22.147 1.969 0.822 0.913 0.917 0.917 CB 1.376 13 residues pruned to eliminate duplicates Z: 41 30.861 2.017 0.792 0.584 0.900 0.650 CB 1.383 41 residues pruned to eliminate duplicates Z: 13 5.967 1.590 1.192 0.393 0.750 0.417 CB 0.738 7 residues pruned to eliminate duplicates Z: 10 11.714 1.919 0.563 0.820 0.778 0.667 CB 1.268 10 residues pruned to eliminate duplicates Z: 19 29.373 2.007 1.046 0.803 0.944 0.778 CB 1.371 19 residues pruned to eliminate duplicates Z: 52 54.130 2.141 0.986 0.684 0.980 0.725 CB 1.536 52 residues pruned to eliminate duplicates Z: 14 4.498 1.744 0.410 0.394 0.769 0.385 CB 0.738 Z: 55 33.138 2.022 0.830 0.501 0.907 0.704 CB 1.342 57 residues pruned to eliminate duplicates Z: 9 4.365 1.626 0.975 0.228 0.625 0.375 CB 1.056 Z: 24 20.314 2.057 0.723 0.565 0.913 0.783 CB 1.229 24 residues pruned to eliminate duplicates Z: 15 18.052 1.852 0.792 0.847 0.929 0.500 CB 1.162 15 residues pruned to eliminate duplicates Z: 13 17.955 1.874 0.753 0.898 0.917 0.500 CB 1.231 13 residues pruned to eliminate duplicates Z: 12 18.367 2.004 0.618 0.909 1.000 0.818 CB 1.212 12 residues pruned to eliminate duplicates Z: 10 16.839 1.948 0.595 0.878 1.000 0.889 CB 1.311 28 residues pruned to eliminate duplicates Z: 51 50.437 2.131 0.895 0.701 0.940 0.600 CB 1.565 51 residues pruned to eliminate duplicates Z: 19 34.468 2.179 0.915 0.747 1.000 0.722 CB 1.561 19 residues pruned to eliminate duplicates Z: 6 6.365 1.801 0.746 0.653 1.000 1.000 CB 0.785 6 residues pruned to eliminate duplicates Z: 17 17.154 1.859 0.461 0.790 0.938 0.812 CB 1.307 17 residues pruned to eliminate duplicates Z: 11 6.903 1.617 0.624 0.387 0.800 0.500 CB 1.171 11 residues pruned to eliminate duplicates Z: 8 14.875 1.890 0.592 0.653 1.000 0.857 CA 1.620 8 residues pruned to eliminate duplicates Z: 11 14.344 1.843 0.442 0.849 1.000 0.700 CB 1.265 11 residues pruned to eliminate duplicates Z: 28 20.061 2.015 0.800 0.525 0.852 0.593 CB 1.220 28 residues pruned to eliminate duplicates Z: 13 25.535 2.027 0.851 0.904 1.000 1.000 CB 1.399 13 residues pruned to eliminate duplicates Z: 32 26.947 1.954 0.662 0.666 0.968 0.839 CB 1.321 32 residues pruned to eliminate duplicates Z: 34 17.447 1.905 0.641 0.466 0.818 0.606 CB 1.229 31 residues pruned to eliminate duplicates Z: 26 13.634 1.743 0.595 0.528 0.800 0.600 CB 1.193 26 residues pruned to eliminate duplicates Z: 6 5.849 1.670 0.246 0.657 0.800 0.600 N 1.358 Z: 20 27.558 1.963 0.618 0.888 1.000 0.737 CB 1.434 20 residues pruned to eliminate duplicates Z: 6 5.354 1.998 -0.131 0.695 1.000 1.000 CB 1.153 Z: 25 16.350 1.942 0.445 0.550 0.917 0.583 CB 1.236 25 residues pruned to eliminate duplicates Z: 8 4.607 1.616 0.513 0.339 0.714 0.714 CB 1.189 Z: 6 3.458 1.594 0.613 0.424 0.600 0.400 N 1.085 Z: 11 13.234 1.834 0.688 0.524 1.000 0.500 CB 1.320 11 residues pruned to eliminate duplicates Z: 12 19.401 1.806 0.631 0.841 0.909 0.545 CB 1.629 12 residues pruned to eliminate duplicates Z: 15 27.322 2.106 0.887 0.816 0.929 0.714 CB 1.503 15 residues pruned to eliminate duplicates Z: 49 36.373 1.943 0.846 0.661 0.958 0.646 CB 1.315 57 residues pruned to eliminate duplicates Z: 16 13.126 1.932 0.702 0.565 0.800 0.600 CB 1.209 16 residues pruned to eliminate duplicates Z: 19 19.265 2.011 0.340 0.822 0.944 0.833 CB 1.350 19 residues pruned to eliminate duplicates Z: 12 15.372 1.718 0.889 0.812 1.000 0.636 CB 1.089 12 residues pruned to eliminate duplicates Z: 51 24.269 1.923 0.603 0.510 0.900 0.660 CB 1.225 85 residues pruned to eliminate duplicates Z: 15 17.494 1.624 0.819 0.822 0.929 0.643 CB 1.289 Z: 17 14.031 1.685 0.757 0.560 0.938 0.500 N 1.192 17 residues pruned to eliminate duplicates Z: 14 28.127 1.897 1.216 0.906 0.923 0.846 CB 1.431 14 residues pruned to eliminate duplicates Z: 6 7.917 1.726 0.431 0.683 0.800 0.800 CB 1.515 6 residues pruned to eliminate duplicates Z: 6 3.206 1.237 0.411 0.663 0.800 0.600 N 0.883 Z: 9 6.140 1.901 0.532 0.380 0.875 0.625 CB 0.968 Z: 22 28.303 2.053 0.827 0.657 1.000 0.905 CB 1.423 22 residues pruned to eliminate duplicates 6 1.190 1.647 0.833 0.880 1.000 1.000 CB 0.128 ? Z: 29 15.625 1.974 0.533 0.477 0.857 0.679 CB 1.166 22 residues pruned to eliminate duplicates Z: 11 9.005 1.608 0.763 0.502 0.800 0.800 CB 1.253 11 residues pruned to eliminate duplicates Z: 30 29.641 2.115 0.836 0.606 0.897 0.690 CB 1.429 30 residues pruned to eliminate duplicates Z: 20 13.866 1.988 0.633 0.432 0.842 0.368 CB 1.248 20 residues pruned to eliminate duplicates Z: 41 28.295 1.905 0.885 0.613 0.875 0.625 CB 1.280 41 residues pruned to eliminate duplicates Z: 15 27.308 2.031 0.570 0.919 1.000 0.929 CB 1.613 15 residues pruned to eliminate duplicates Z: 17 20.322 1.881 0.799 0.903 0.938 0.875 CB 1.142 17 residues pruned to eliminate duplicates Z: 9 9.428 1.835 0.665 0.659 0.875 0.625 CB 1.076 9 residues pruned to eliminate duplicates Z: 12 20.475 1.749 0.790 0.879 1.000 0.818 CB 1.430 12 residues pruned to eliminate duplicates Z: 8 10.326 1.858 0.917 0.732 1.000 0.857 CB 0.889 8 residues pruned to eliminate duplicates Z: 25 11.471 1.701 0.535 0.392 0.792 0.458 CB 1.270 25 residues pruned to eliminate duplicates Z: 19 12.124 1.893 0.811 0.466 0.778 0.556 CB 1.110 19 residues pruned to eliminate duplicates Z: 53 44.642 2.062 0.905 0.660 0.962 0.635 CB 1.413 53 residues pruned to eliminate duplicates Z: 10 12.171 1.784 0.630 0.811 0.778 0.667 CB 1.368 10 residues pruned to eliminate duplicates Z: 18 21.939 2.135 0.775 0.633 0.882 0.588 CB 1.405 18 residues pruned to eliminate duplicates 6 1.892 1.705 0.379 0.807 0.800 0.600 CB 0.344 ? Z: 7 3.630 1.568 0.191 0.790 1.000 0.500 CB 0.615 Z: 17 6.602 1.713 0.205 0.322 0.938 0.500 CB 1.037 Z: 9 13.415 2.007 0.435 0.892 1.000 0.875 CB 1.183 9 residues pruned to eliminate duplicates Z: 23 13.005 1.958 0.835 0.453 0.909 0.591 CB 0.890 7 residues pruned to eliminate duplicates Z: 101 45.061 1.967 0.778 0.563 0.920 0.690 CB 1.317 102 residues pruned to eliminate duplicates Z: 48 22.680 1.985 0.744 0.444 0.851 0.638 CB 1.189 48 residues pruned to eliminate duplicates Z: 6 3.509 1.686 0.212 0.331 0.800 0.600 CB 1.155 6 residues pruned to eliminate duplicates Z: 6 4.195 1.409 0.926 0.607 0.600 0.400 N 1.040 Z: 10 3.625 1.672 0.189 0.295 0.667 0.333 CB 1.147 Z: 12 24.241 2.071 1.130 0.924 0.909 0.273 CB 1.280 12 residues pruned to eliminate duplicates Z: 19 14.061 1.823 0.749 0.536 0.889 0.611 CB 1.129 19 residues pruned to eliminate duplicates Z: 21 17.172 1.977 0.904 0.459 0.900 0.650 CB 1.182 21 residues pruned to eliminate duplicates Z: 6 2.371 1.406 0.610 0.349 0.600 0.400 CB 0.919 Z: 7 5.108 1.741 0.224 0.434 1.000 0.500 CB 1.049 Z: 11 17.610 2.045 0.758 0.794 0.900 0.700 CB 1.330 11 residues pruned to eliminate duplicates Z: 17 12.184 1.878 0.488 0.477 0.875 0.500 CB 1.276 17 residues pruned to eliminate duplicates Z: 13 21.333 1.957 0.607 0.893 1.000 0.750 CB 1.406 13 residues pruned to eliminate duplicates Z: 6 5.151 1.682 0.572 0.846 1.000 0.400 CB 0.647 Z: 8 4.500 1.981 0.201 0.824 1.000 0.571 CB 0.540 8 residues pruned to eliminate duplicates Z: 6 4.040 1.751 0.347 0.365 0.800 0.400 CB 1.107 6 residues pruned to eliminate duplicates Z: 7 2.298 1.533 0.394 0.553 0.500 0.333 CB 0.834 Z: 18 24.246 2.072 0.937 0.645 0.882 0.588 CB 1.450 18 residues pruned to eliminate duplicates Z: 21 10.591 1.905 0.924 0.369 0.800 0.450 CB 0.929 21 residues pruned to eliminate duplicates Z: 8 5.238 1.852 0.202 0.704 0.857 0.714 CB 0.862 Z: 32 14.593 1.764 0.443 0.449 0.871 0.613 CB 1.246 32 residues pruned to eliminate duplicates Z: 20 21.872 2.124 0.662 0.554 0.895 0.474 CB 1.507 20 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.029 1.646 0.133 0.131 0.800 0.400 N 1.438 6 residues pruned to eliminate duplicates Z: 34 20.003 1.791 0.578 0.514 0.909 0.576 CB 1.337 34 residues pruned to eliminate duplicates Z: 20 16.846 1.827 0.568 0.581 0.947 0.632 CB 1.318 20 residues pruned to eliminate duplicates Z: 22 16.462 1.816 0.511 0.571 0.905 0.571 CB 1.352 22 residues pruned to eliminate duplicates Z: 16 18.884 1.894 0.610 0.574 1.000 0.533 CB 1.489 16 residues pruned to eliminate duplicates Z: 24 18.369 1.823 0.581 0.599 0.870 0.609 CB 1.391 24 residues pruned to eliminate duplicates Z: 28 19.599 1.836 0.802 0.488 0.852 0.556 CB 1.356 28 residues pruned to eliminate duplicates Z: 23 15.188 1.794 0.524 0.531 0.909 0.636 CB 1.265 23 residues pruned to eliminate duplicates Z: 23 20.220 1.841 0.723 0.566 0.909 0.500 CB 1.402 23 residues pruned to eliminate duplicates Z: 37 20.028 1.762 0.727 0.526 0.833 0.583 CB 1.283 37 residues pruned to eliminate duplicates Z: 36 19.805 1.813 0.631 0.533 0.857 0.600 CB 1.279 36 residues pruned to eliminate duplicates Z: 57 27.334 1.849 0.598 0.544 0.911 0.643 CB 1.300 73 residues pruned to eliminate duplicates Z: 23 20.705 1.834 0.827 0.575 0.864 0.636 CB 1.419 23 residues pruned to eliminate duplicates Z: 23 22.165 1.854 0.680 0.593 0.955 0.591 CB 1.454 23 residues pruned to eliminate duplicates Z: 26 21.793 1.820 0.852 0.537 0.920 0.600 CB 1.355 26 residues pruned to eliminate duplicates Z: 31 21.098 1.769 0.704 0.523 0.900 0.600 CB 1.388 31 residues pruned to eliminate duplicates Z: 31 20.792 1.764 0.610 0.557 0.933 0.633 CB 1.355 31 residues pruned to eliminate duplicates Z: 48 31.403 1.898 0.603 0.657 0.915 0.574 CB 1.423 48 residues pruned to eliminate duplicates Z: 116 51.281 1.969 0.714 0.641 0.922 0.687 CB 1.348 92 residues pruned to eliminate duplicates Z: 27 28.208 1.953 0.640 0.756 0.962 0.808 CB 1.430 27 residues pruned to eliminate duplicates Z: 39 26.061 1.922 0.542 0.694 0.868 0.763 CB 1.375 39 residues pruned to eliminate duplicates Z: 36 24.471 1.941 0.583 0.646 0.857 0.686 CB 1.371 36 residues pruned to eliminate duplicates Z: 42 33.231 1.954 0.679 0.726 0.902 0.732 CB 1.430 42 residues pruned to eliminate duplicates Z: 28 26.687 1.985 0.655 0.728 0.926 0.667 CB 1.375 28 residues pruned to eliminate duplicates Z: 57 34.717 1.906 0.719 0.607 0.929 0.661 CB 1.377 57 residues pruned to eliminate duplicates Z: 49 35.958 1.967 0.775 0.642 0.917 0.646 CB 1.420 49 residues pruned to eliminate duplicates Z: 53 38.790 1.957 0.721 0.648 0.962 0.615 CB 1.447 53 residues pruned to eliminate duplicates Z: 53 30.161 1.927 0.819 0.561 0.865 0.577 CB 1.300 53 residues pruned to eliminate duplicates Z: 54 37.775 1.900 0.740 0.677 0.962 0.679 CB 1.386 54 residues pruned to eliminate duplicates Z: 35 34.488 1.957 0.918 0.709 0.941 0.647 CB 1.385 35 residues pruned to eliminate duplicates Z: 64 31.970 1.875 0.767 0.550 0.937 0.603 CB 1.236 64 residues pruned to eliminate duplicates Z: 58 39.597 1.967 0.759 0.663 0.947 0.649 CB 1.376 58 residues pruned to eliminate duplicates Z: 51 35.801 1.952 0.726 0.666 0.940 0.700 CB 1.371 51 residues pruned to eliminate duplicates Z: 52 37.091 1.949 0.807 0.685 0.941 0.608 CB 1.322 52 residues pruned to eliminate duplicates Z: 51 36.582 1.940 0.860 0.631 0.900 0.600 CB 1.408 51 residues pruned to eliminate duplicates Z: 103 36.600 1.921 0.649 0.511 0.863 0.637 CB 1.311 124 residues pruned to eliminate duplicates Z: 18 15.343 1.917 1.300 0.807 0.824 0.412 CB 0.784 18 residues pruned to eliminate duplicates Z: 56 37.157 1.947 0.773 0.639 0.945 0.600 CB 1.349 56 residues pruned to eliminate duplicates Z: 14 9.284 1.881 0.514 0.330 0.923 0.462 CB 1.180 14 residues pruned to eliminate duplicates Z: 49 32.727 1.932 0.703 0.617 0.917 0.500 CB 1.402 49 residues pruned to eliminate duplicates Z: 105 46.281 1.946 0.779 0.603 0.894 0.587 CB 1.330 105 residues pruned to eliminate duplicates Z: 36 24.720 1.869 0.759 0.521 0.857 0.486 CB 1.453 36 residues pruned to eliminate duplicates Z: 33 30.229 1.966 1.040 0.579 0.969 0.562 CB 1.274 33 residues pruned to eliminate duplicates Z: 15 11.692 1.889 0.687 0.350 0.857 0.357 CB 1.347 15 residues pruned to eliminate duplicates Z: 53 32.383 1.934 0.799 0.574 0.942 0.577 CB 1.275 53 residues pruned to eliminate duplicates Z: 33 32.777 1.963 0.941 0.643 0.969 0.688 CB 1.374 33 residues pruned to eliminate duplicates Z: 52 38.626 1.963 0.799 0.690 0.922 0.686 CB 1.397 52 residues pruned to eliminate duplicates Z: 53 37.521 1.939 0.798 0.665 0.923 0.654 CB 1.388 53 residues pruned to eliminate duplicates Z: 12 14.877 2.021 0.684 0.492 0.909 0.545 CB 1.460 12 residues pruned to eliminate duplicates Z: 14 11.844 1.767 0.610 0.621 0.846 0.538 CB 1.217 Z: 12 20.850 1.828 0.615 0.887 1.000 0.818 CB 1.535 13 residues pruned to eliminate duplicates Z: 12 18.229 1.880 0.484 0.849 0.909 0.818 CB 1.607 12 residues pruned to eliminate duplicates Z: 16 11.703 1.921 0.636 0.614 0.933 0.733 CB 0.925 16 residues pruned to eliminate duplicates Z: 11 12.398 1.973 0.442 0.734 0.900 0.500 CB 1.242 11 residues pruned to eliminate duplicates Z: 11 18.125 2.033 0.758 0.751 0.900 0.700 CB 1.425 11 residues pruned to eliminate duplicates Z: 32 22.192 1.956 0.522 0.634 1.000 0.710 CB 1.181 53 residues pruned to eliminate duplicates Z: 16 15.135 1.972 0.401 0.640 1.000 0.533 CB 1.241 Z: 11 21.009 1.985 0.703 0.883 0.900 0.700 CB 1.580 10 residues pruned to eliminate duplicates Z: 11 17.391 1.965 0.698 0.843 0.900 0.700 CB 1.363 11 residues pruned to eliminate duplicates Z: 20 14.252 1.941 0.396 0.620 0.947 0.474 CB 1.138 20 residues pruned to eliminate duplicates Z: 59 24.545 1.933 0.532 0.526 0.897 0.672 CB 1.183 76 residues pruned to eliminate duplicates Z: 8 7.803 1.479 0.722 0.395 1.000 0.571 O 1.294 8 residues pruned to eliminate duplicates Z: 21 14.862 1.899 0.648 0.609 0.850 0.800 CB 1.127 21 residues pruned to eliminate duplicates Z: 20 19.377 1.943 0.634 0.673 0.947 0.737 CB 1.260 20 residues pruned to eliminate duplicates Z: 20 16.404 1.982 0.587 0.624 1.000 0.737 CB 1.065 20 residues pruned to eliminate duplicates Z: 18 20.853 2.100 0.727 0.684 0.941 0.882 CB 1.251 18 residues pruned to eliminate duplicates Z: 18 17.915 2.036 0.512 0.703 1.000 0.882 CB 1.173 18 residues pruned to eliminate duplicates Z: 22 16.273 1.966 0.695 0.547 0.810 0.810 CB 1.257 22 residues pruned to eliminate duplicates Z: 38 19.104 1.945 0.542 0.496 0.892 0.622 CB 1.179 38 residues pruned to eliminate duplicates Z: 20 17.041 2.047 0.510 0.678 0.947 0.895 CB 1.133 20 residues pruned to eliminate duplicates Z: 19 15.841 2.025 0.637 0.668 0.889 0.833 CB 1.085 19 residues pruned to eliminate duplicates Z: 19 15.148 2.020 0.506 0.605 0.944 0.556 CB 1.124 19 residues pruned to eliminate duplicates Z: 46 21.331 2.019 0.524 0.419 0.844 0.689 CB 1.332 45 residues pruned to eliminate duplicates Z: 13 14.306 1.861 0.788 0.675 0.750 0.333 CB 1.409 13 residues pruned to eliminate duplicates Z: 48 23.085 1.961 0.641 0.424 0.915 0.638 CB 1.238 48 residues pruned to eliminate duplicates Z: 14 14.572 1.848 0.887 0.718 0.692 0.154 CB 1.375 14 residues pruned to eliminate duplicates Z: 47 22.621 1.899 0.546 0.444 0.913 0.565 CB 1.319 23 residues pruned to eliminate duplicates Z: 6 3.818 1.412 0.463 0.386 1.000 0.400 O 0.934 Z: 6 3.025 1.860 -0.110 0.401 0.800 0.400 CB 1.134 12 residues pruned to eliminate duplicates Z: 42 17.285 1.992 0.387 0.389 0.878 0.634 CB 1.251 42 residues pruned to eliminate duplicates Z: 43 21.540 1.959 0.541 0.431 0.905 0.714 CB 1.306 43 residues pruned to eliminate duplicates Z: 26 15.892 1.952 0.539 0.339 0.920 0.720 CB 1.371 25 residues pruned to eliminate duplicates Z: 6 5.405 1.587 0.691 0.411 1.000 0.800 CA 0.989 6 residues pruned to eliminate duplicates Z: 55 24.190 1.956 0.649 0.516 0.870 0.556 CB 1.154 26 residues pruned to eliminate duplicates Z: 19 23.047 1.848 0.761 0.792 0.889 0.611 CB 1.453 19 residues pruned to eliminate duplicates Z: 12 8.065 1.978 0.641 0.199 0.909 0.636 CB 1.179 12 residues pruned to eliminate duplicates Z: 12 8.466 1.980 0.655 0.231 0.909 0.727 CB 1.172 12 residues pruned to eliminate duplicates Z: 9 7.473 2.009 0.509 0.273 0.875 0.625 CB 1.288 9 residues pruned to eliminate duplicates Z: 32 20.642 2.023 0.546 0.545 0.935 0.806 CB 1.213 32 residues pruned to eliminate duplicates Z: 11 8.351 1.951 0.834 0.272 0.900 0.600 CB 1.062 11 residues pruned to eliminate duplicates Z: 9 9.546 2.050 0.615 0.326 1.000 0.750 CB 1.234 9 residues pruned to eliminate duplicates Z: 54 23.650 1.988 0.635 0.446 0.830 0.660 CB 1.273 54 residues pruned to eliminate duplicates Z: 34 21.377 1.994 0.552 0.515 0.970 0.697 CB 1.222 34 residues pruned to eliminate duplicates Z: 34 23.988 2.022 0.758 0.487 0.939 0.758 CB 1.268 34 residues pruned to eliminate duplicates Z: 65 26.567 1.989 0.566 0.495 0.922 0.734 CB 1.162 65 residues pruned to eliminate duplicates Z: 20 9.329 1.925 0.652 0.301 0.789 0.421 CB 1.064 20 residues pruned to eliminate duplicates Z: 18 20.831 2.020 0.595 0.641 1.000 0.765 CB 1.374 18 residues pruned to eliminate duplicates Z: 32 22.277 2.015 0.734 0.507 0.935 0.774 CB 1.215 32 residues pruned to eliminate duplicates Z: 34 19.068 1.999 0.503 0.510 0.939 0.727 CB 1.164 34 residues pruned to eliminate duplicates Z: 23 23.404 2.024 0.687 0.638 0.955 0.864 CB 1.345 23 residues pruned to eliminate duplicates Z: 63 31.499 1.999 0.693 0.497 0.935 0.823 CB 1.268 63 residues pruned to eliminate duplicates Z: 24 19.683 1.997 0.504 0.638 0.913 0.696 CB 1.315 24 residues pruned to eliminate duplicates Z: 22 21.280 2.017 0.546 0.661 0.952 0.762 CB 1.347 22 residues pruned to eliminate duplicates Z: 33 24.255 2.012 0.690 0.523 0.969 0.750 CB 1.272 33 residues pruned to eliminate duplicates Z: 34 21.917 2.009 0.601 0.510 0.939 0.697 CB 1.251 34 residues pruned to eliminate duplicates Z: 21 25.552 2.055 0.754 0.671 0.950 0.850 CB 1.424 21 residues pruned to eliminate duplicates Z: 33 25.503 2.035 0.797 0.517 0.969 0.750 CB 1.251 33 residues pruned to eliminate duplicates Z: 22 21.012 2.027 0.616 0.627 0.905 0.714 CB 1.373 22 residues pruned to eliminate duplicates Z: 47 23.924 2.018 0.583 0.440 0.913 0.696 CB 1.286 47 residues pruned to eliminate duplicates Z: 66 24.854 1.968 0.684 0.417 0.877 0.708 CB 1.157 46 residues pruned to eliminate duplicates Z: 6 5.415 1.663 0.494 0.359 1.000 0.400 N 1.134 6 residues pruned to eliminate duplicates Z: 20 26.811 2.181 0.846 0.578 0.895 0.526 CB 1.584 29 residues pruned to eliminate duplicates Z: 50 37.367 2.089 0.801 0.586 0.878 0.612 CB 1.488 50 residues pruned to eliminate duplicates Z: 38 39.352 2.119 0.875 0.681 0.919 0.622 CB 1.500 38 residues pruned to eliminate duplicates Z: 16 31.856 2.310 0.944 0.659 0.933 0.600 CB 1.693 16 residues pruned to eliminate duplicates Z: 17 29.295 2.302 0.819 0.653 0.938 0.750 CB 1.617 20 residues pruned to eliminate duplicates Z: 10 24.229 2.103 0.836 0.728 1.000 0.556 CA 1.702 10 residues pruned to eliminate duplicates Z: 35 44.615 2.189 0.839 0.705 0.941 0.735 CB 1.676 35 residues pruned to eliminate duplicates Z: 20 29.530 2.149 0.866 0.694 0.895 0.421 CB 1.582 20 residues pruned to eliminate duplicates Z: 50 39.512 2.060 0.802 0.642 0.918 0.694 CB 1.450 50 residues pruned to eliminate duplicates Z: 20 28.383 2.098 0.825 0.720 0.895 0.579 CB 1.559 20 residues pruned to eliminate duplicates Z: 40 46.539 2.171 0.865 0.721 0.974 0.846 CB 1.547 40 residues pruned to eliminate duplicates Z: 44 49.477 2.131 0.920 0.717 0.977 0.767 CB 1.551 44 residues pruned to eliminate duplicates Z: 38 44.262 2.112 0.890 0.701 0.946 0.703 CB 1.604 38 residues pruned to eliminate duplicates Z: 23 34.876 2.250 0.852 0.675 0.955 0.682 CB 1.590 23 residues pruned to eliminate duplicates Z: 34 28.654 1.915 0.768 0.627 0.939 0.606 CB 1.391 34 residues pruned to eliminate duplicates Z: 117 51.664 2.010 0.828 0.562 0.905 0.629 CB 1.357 114 residues pruned to eliminate duplicates Z: 9 12.000 1.924 0.706 0.760 0.750 0.500 CB 1.368 9 residues pruned to eliminate duplicates Z: 44 45.539 2.131 0.827 0.725 0.953 0.791 CB 1.527 44 residues pruned to eliminate duplicates Z: 26 25.191 1.982 0.819 0.688 0.880 0.760 CB 1.337 26 residues pruned to eliminate duplicates Z: 37 44.449 2.157 0.920 0.688 0.944 0.694 CB 1.594 37 residues pruned to eliminate duplicates Z: 27 28.541 1.999 0.817 0.693 0.923 0.615 CB 1.400 27 residues pruned to eliminate duplicates Z: 34 29.575 1.923 0.772 0.695 0.939 0.788 CB 1.346 34 residues pruned to eliminate duplicates Z: 23 27.610 2.075 0.694 0.726 0.955 0.818 CB 1.431 23 residues pruned to eliminate duplicates Z: 43 44.138 2.084 0.835 0.691 0.952 0.643 CB 1.570 43 residues pruned to eliminate duplicates Z: 39 44.451 2.149 1.041 0.677 0.895 0.737 CB 1.561 39 residues pruned to eliminate duplicates Z: 44 47.018 2.120 0.923 0.703 0.953 0.744 CB 1.534 44 residues pruned to eliminate duplicates Z: 52 48.463 2.119 0.921 0.673 0.941 0.627 CB 1.511 52 residues pruned to eliminate duplicates Z: 45 42.648 2.090 0.911 0.697 0.909 0.636 CB 1.479 45 residues pruned to eliminate duplicates Z: 29 30.778 2.016 1.015 0.692 0.857 0.607 CB 1.402 29 residues pruned to eliminate duplicates Z: 52 50.094 2.124 0.989 0.676 0.980 0.627 CB 1.441 52 residues pruned to eliminate duplicates Z: 41 36.444 1.990 0.967 0.620 0.925 0.575 CB 1.421 41 residues pruned to eliminate duplicates Z: 54 45.926 2.051 0.896 0.684 0.962 0.679 CB 1.424 54 residues pruned to eliminate duplicates Z: 46 48.929 2.098 1.004 0.694 0.956 0.578 CB 1.520 46 residues pruned to eliminate duplicates Z: 13 19.609 1.907 0.863 0.701 0.917 0.667 CB 1.447 13 residues pruned to eliminate duplicates Z: 45 47.745 2.112 1.030 0.701 0.955 0.705 CB 1.463 45 residues pruned to eliminate duplicates Z: 44 54.338 2.143 1.117 0.714 0.977 0.628 CB 1.540 44 residues pruned to eliminate duplicates Z: 51 39.732 2.076 0.880 0.571 0.900 0.560 CB 1.493 51 residues pruned to eliminate duplicates Z: 36 27.727 1.969 0.803 0.537 0.886 0.457 CB 1.438 36 residues pruned to eliminate duplicates Z: 51 52.674 2.150 0.923 0.693 0.980 0.680 CB 1.541 51 residues pruned to eliminate duplicates Z: 53 45.483 2.119 0.919 0.656 0.923 0.500 CB 1.455 53 residues pruned to eliminate duplicates Z: 53 49.704 2.124 0.906 0.679 0.962 0.712 CB 1.501 53 residues pruned to eliminate duplicates Z: 51 40.157 2.055 0.888 0.602 0.880 0.640 CB 1.510 51 residues pruned to eliminate duplicates Z: 50 39.642 2.078 0.868 0.605 0.898 0.633 CB 1.470 50 residues pruned to eliminate duplicates Z: 52 52.539 2.141 1.047 0.694 0.980 0.667 CB 1.434 52 residues pruned to eliminate duplicates Z: 54 52.937 2.104 0.968 0.661 0.962 0.755 CB 1.572 54 residues pruned to eliminate duplicates Z: 53 52.332 2.118 0.940 0.691 0.962 0.731 CB 1.542 53 residues pruned to eliminate duplicates Z: 8 15.188 1.962 0.846 0.696 0.857 0.571 CB 1.546 7 residues pruned to eliminate duplicates Z: 11 18.687 1.911 0.387 0.848 1.000 0.600 CB 1.654 11 residues pruned to eliminate duplicates Z: 10 12.155 1.822 0.129 0.841 1.000 0.556 CB 1.469 10 residues pruned to eliminate duplicates Z: 11 14.416 2.063 0.448 0.733 0.900 0.600 CB 1.376 11 residues pruned to eliminate duplicates Z: 11 10.110 1.917 0.641 0.391 0.800 0.300 CB 1.425 11 residues pruned to eliminate duplicates Z: 18 12.208 2.035 0.580 0.424 0.824 0.588 CB 1.211 18 residues pruned to eliminate duplicates Z: 26 23.615 2.082 0.703 0.552 0.920 0.760 CB 1.377 26 residues pruned to eliminate duplicates Z: 25 17.708 2.052 0.455 0.532 0.917 0.792 CB 1.280 25 residues pruned to eliminate duplicates Z: 23 14.885 2.016 0.480 0.448 0.864 0.682 CB 1.299 23 residues pruned to eliminate duplicates Z: 25 20.446 2.025 0.615 0.599 0.917 0.833 CB 1.267 25 residues pruned to eliminate duplicates Z: 51 22.052 1.982 0.608 0.412 0.860 0.520 CB 1.248 51 residues pruned to eliminate duplicates Z: 46 27.331 2.020 0.732 0.465 0.933 0.644 CB 1.293 46 residues pruned to eliminate duplicates Z: 93 43.346 2.082 0.716 0.541 0.924 0.717 CB 1.315 93 residues pruned to eliminate duplicates Z: 25 18.609 2.043 0.538 0.567 0.917 0.625 CB 1.237 25 residues pruned to eliminate duplicates Z: 46 26.924 2.052 0.602 0.455 0.956 0.711 CB 1.338 46 residues pruned to eliminate duplicates Z: 30 25.079 2.002 0.785 0.663 0.897 0.655 CB 1.250 30 residues pruned to eliminate duplicates Z: 25 16.943 1.920 0.559 0.542 0.875 0.667 CB 1.268 25 residues pruned to eliminate duplicates Z: 48 27.649 2.017 0.840 0.428 0.915 0.660 CB 1.280 48 residues pruned to eliminate duplicates Z: 25 20.917 2.061 0.790 0.573 0.875 0.750 CB 1.233 25 residues pruned to eliminate duplicates Z: 20 23.287 2.044 0.677 0.623 1.000 0.842 CB 1.387 20 residues pruned to eliminate duplicates Z: 38 22.970 1.998 0.779 0.470 0.865 0.676 CB 1.267 38 residues pruned to eliminate duplicates Z: 20 22.869 2.042 0.971 0.601 0.947 0.789 CB 1.249 20 residues pruned to eliminate duplicates Z: 24 19.612 2.001 0.839 0.565 0.913 0.783 CB 1.143 24 residues pruned to eliminate duplicates Z: 47 28.427 2.036 0.834 0.426 0.891 0.587 CB 1.359 47 residues pruned to eliminate duplicates Z: 23 21.799 2.030 0.773 0.557 0.864 0.682 CB 1.414 23 residues pruned to eliminate duplicates Z: 30 22.685 1.977 0.779 0.483 0.897 0.655 CB 1.359 30 residues pruned to eliminate duplicates Z: 24 19.927 2.024 0.775 0.515 0.913 0.652 CB 1.249 24 residues pruned to eliminate duplicates Z: 65 24.826 1.958 0.692 0.354 0.844 0.547 CB 1.299 65 residues pruned to eliminate duplicates Z: 49 23.261 1.983 0.695 0.366 0.938 0.583 CB 1.230 49 residues pruned to eliminate duplicates Z: 32 20.466 2.019 0.760 0.406 0.935 0.645 CB 1.221 32 residues pruned to eliminate duplicates Z: 46 22.559 2.007 0.651 0.376 0.889 0.689 CB 1.304 46 residues pruned to eliminate duplicates Z: 26 17.842 2.034 0.732 0.318 0.920 0.560 CB 1.346 26 residues pruned to eliminate duplicates Z: 49 24.061 1.970 0.781 0.397 0.854 0.542 CB 1.292 49 residues pruned to eliminate duplicates Z: 47 24.397 2.046 0.724 0.426 0.913 0.587 CB 1.207 47 residues pruned to eliminate duplicates Z: 32 24.384 2.026 0.719 0.462 0.968 0.710 CB 1.351 32 residues pruned to eliminate duplicates Z: 49 32.898 2.129 0.698 0.484 0.938 0.729 CB 1.425 49 residues pruned to eliminate duplicates Z: 51 23.380 1.970 0.631 0.396 0.860 0.640 CB 1.336 51 residues pruned to eliminate duplicates Z: 21 14.950 1.977 0.781 0.352 0.800 0.600 CB 1.393 21 residues pruned to eliminate duplicates Z: 27 19.092 2.009 0.749 0.369 0.923 0.654 CB 1.329 27 residues pruned to eliminate duplicates Z: 46 22.151 1.971 0.635 0.414 0.867 0.600 CB 1.294 46 residues pruned to eliminate duplicates Z: 71 39.817 2.070 0.707 0.526 0.914 0.629 CB 1.436 71 residues pruned to eliminate duplicates Z: 52 25.461 1.969 0.742 0.387 0.902 0.706 CB 1.299 52 residues pruned to eliminate duplicates Z: 28 20.064 1.991 0.873 0.291 0.926 0.593 CB 1.415 28 residues pruned to eliminate duplicates Z: 28 20.074 1.990 0.852 0.336 0.963 0.630 CB 1.302 28 residues pruned to eliminate duplicates Z: 103 53.638 2.113 0.779 0.523 0.922 0.637 CB 1.499 103 residues pruned to eliminate duplicates Z: 9 9.608 1.969 0.764 0.383 0.875 0.750 CB 1.265 9 residues pruned to eliminate duplicates Z: 74 33.922 2.030 0.690 0.476 0.863 0.671 CB 1.373 74 residues pruned to eliminate duplicates Z: 49 22.868 2.001 0.706 0.415 0.854 0.500 CB 1.238 49 residues pruned to eliminate duplicates Z: 45 26.027 2.019 0.740 0.436 0.932 0.705 CB 1.281 45 residues pruned to eliminate duplicates Z: 73 41.529 2.093 0.788 0.494 0.917 0.653 CB 1.436 73 residues pruned to eliminate duplicates Z: 72 37.913 2.101 0.628 0.530 0.915 0.620 CB 1.394 72 residues pruned to eliminate duplicates Z: 74 38.150 2.067 0.854 0.475 0.904 0.644 CB 1.321 74 residues pruned to eliminate duplicates Z: 48 32.881 2.115 0.802 0.479 0.915 0.723 CB 1.405 48 residues pruned to eliminate duplicates Z: 55 28.291 2.112 0.543 0.469 0.889 0.648 CB 1.371 55 residues pruned to eliminate duplicates Z: 87 46.058 2.111 0.724 0.536 0.919 0.651 CB 1.434 87 residues pruned to eliminate duplicates Z: 73 37.271 2.048 0.825 0.469 0.875 0.722 CB 1.385 73 residues pruned to eliminate duplicates Z: 29 20.998 2.044 0.748 0.413 0.821 0.679 CB 1.481 29 residues pruned to eliminate duplicates Z: 106 51.187 2.110 0.713 0.537 0.933 0.619 CB 1.428 106 residues pruned to eliminate duplicates Z: 70 35.767 2.067 0.737 0.471 0.913 0.667 CB 1.352 70 residues pruned to eliminate duplicates Z: 68 44.155 2.121 0.664 0.615 0.910 0.672 CB 1.506 68 residues pruned to eliminate duplicates Z: 89 48.035 2.084 0.804 0.530 0.955 0.670 CB 1.386 89 residues pruned to eliminate duplicates Z: 68 39.175 2.128 0.726 0.535 0.896 0.672 CB 1.407 68 residues pruned to eliminate duplicates Z: 61 51.659 2.179 0.767 0.649 0.967 0.717 CB 1.559 61 residues pruned to eliminate duplicates Z: 94 44.195 2.056 0.790 0.492 0.914 0.645 CB 1.373 94 residues pruned to eliminate duplicates Z: 47 30.926 2.104 0.740 0.473 0.891 0.565 CB 1.436 47 residues pruned to eliminate duplicates Z: 62 40.141 2.136 0.764 0.555 0.918 0.623 CB 1.408 62 residues pruned to eliminate duplicates Z: 108 49.162 2.076 0.827 0.479 0.879 0.607 CB 1.457 108 residues pruned to eliminate duplicates Z: 44 38.247 2.159 0.676 0.654 0.907 0.744 CB 1.540 44 residues pruned to eliminate duplicates Z: 75 46.177 2.097 0.781 0.551 0.932 0.716 CB 1.467 75 residues pruned to eliminate duplicates Z: 72 36.711 2.079 0.743 0.464 0.901 0.634 CB 1.383 72 residues pruned to eliminate duplicates Z: 112 51.667 2.097 0.738 0.530 0.919 0.658 CB 1.422 112 residues pruned to eliminate duplicates Z: 106 53.299 2.130 0.785 0.519 0.905 0.648 CB 1.485 106 residues pruned to eliminate duplicates Z: 120 59.147 2.116 0.728 0.559 0.924 0.664 CB 1.515 120 residues pruned to eliminate duplicates Z: 94 46.508 2.044 0.803 0.507 0.925 0.688 CB 1.405 94 residues pruned to eliminate duplicates Z: 64 35.503 2.085 0.696 0.534 0.921 0.603 CB 1.329 64 residues pruned to eliminate duplicates Z: 70 35.751 2.067 0.778 0.464 0.870 0.594 CB 1.397 70 residues pruned to eliminate duplicates Z: 97 48.109 2.066 0.788 0.543 0.938 0.688 CB 1.360 97 residues pruned to eliminate duplicates Z: 89 45.117 2.098 0.759 0.546 0.909 0.773 CB 1.370 89 residues pruned to eliminate duplicates Z: 74 57.769 2.172 0.905 0.615 0.932 0.753 CB 1.573 74 residues pruned to eliminate duplicates Z: 72 41.151 2.112 0.673 0.546 0.930 0.746 CB 1.422 72 residues pruned to eliminate duplicates Z: 65 40.416 2.105 0.806 0.502 0.922 0.609 CB 1.439 65 residues pruned to eliminate duplicates Z: 97 43.668 2.062 0.801 0.510 0.906 0.510 CB 1.311 97 residues pruned to eliminate duplicates Z: 21 27.590 2.105 0.675 0.768 1.000 0.900 CB 1.380 21 residues pruned to eliminate duplicates Z: 108 52.744 2.110 0.794 0.512 0.916 0.617 CB 1.454 108 residues pruned to eliminate duplicates Z: 21 30.134 2.136 0.936 0.713 0.900 0.800 CB 1.493 21 residues pruned to eliminate duplicates Z: 70 50.339 2.151 0.862 0.592 0.928 0.652 CB 1.495 70 residues pruned to eliminate duplicates Z: 90 48.688 2.115 0.883 0.522 0.876 0.652 CB 1.447 90 residues pruned to eliminate duplicates Z: 57 43.924 2.134 0.957 0.576 0.911 0.589 CB 1.435 57 residues pruned to eliminate duplicates Z: 23 35.131 2.061 1.173 0.731 1.000 0.682 CB 1.359 23 residues pruned to eliminate duplicates Z: 17 21.944 2.108 1.124 0.550 0.938 0.750 CB 1.245 17 residues pruned to eliminate duplicates Z: 85 42.756 2.081 0.823 0.505 0.929 0.655 CB 1.318 85 residues pruned to eliminate duplicates Z: 21 25.182 2.092 0.958 0.547 0.850 0.500 CB 1.544 21 residues pruned to eliminate duplicates Z: 56 40.944 2.106 0.944 0.533 0.891 0.545 CB 1.465 56 residues pruned to eliminate duplicates Z: 56 38.409 2.067 0.927 0.520 0.891 0.509 CB 1.431 56 residues pruned to eliminate duplicates Z: 57 47.218 2.131 0.946 0.572 0.911 0.625 CB 1.558 57 residues pruned to eliminate duplicates Z: 59 45.149 2.132 0.928 0.560 0.914 0.603 CB 1.488 59 residues pruned to eliminate duplicates Z: 37 44.439 2.193 1.053 0.626 0.917 0.722 CB 1.594 37 residues pruned to eliminate duplicates Z: 24 30.305 2.136 1.013 0.518 0.913 0.652 CB 1.581 24 residues pruned to eliminate duplicates Z: 16 21.374 2.006 0.864 0.563 0.800 0.533 CB 1.736 16 residues pruned to eliminate duplicates Z: 37 33.548 2.112 0.821 0.568 0.861 0.528 CB 1.580 37 residues pruned to eliminate duplicates Z: 35 42.436 2.160 1.031 0.611 0.971 0.588 CB 1.538 35 residues pruned to eliminate duplicates Z: 107 52.471 2.109 0.877 0.516 0.877 0.632 CB 1.444 107 residues pruned to eliminate duplicates Z: 39 35.821 2.088 0.898 0.511 0.947 0.421 CB 1.532 39 residues pruned to eliminate duplicates Z: 53 42.320 2.084 0.926 0.535 0.923 0.596 CB 1.529 53 residues pruned to eliminate duplicates Z: 26 25.918 2.101 0.822 0.485 0.840 0.440 CB 1.637 26 residues pruned to eliminate duplicates Z: 35 37.682 2.168 0.872 0.565 0.941 0.706 CB 1.588 35 residues pruned to eliminate duplicates Z: 35 29.290 2.078 0.772 0.540 0.853 0.618 CB 1.538 35 residues pruned to eliminate duplicates Z: 19 31.879 2.048 1.009 0.679 0.889 0.556 CA 1.744 19 residues pruned to eliminate duplicates Z: 22 26.063 2.088 0.846 0.484 0.905 0.571 CB 1.657 22 residues pruned to eliminate duplicates Z: 63 41.330 2.096 0.827 0.547 0.903 0.661 CB 1.449 63 residues pruned to eliminate duplicates Z: 73 52.090 2.145 0.881 0.552 0.931 0.667 CB 1.555 73 residues pruned to eliminate duplicates Z: 35 33.937 2.121 0.867 0.555 0.882 0.559 CB 1.578 35 residues pruned to eliminate duplicates Z: 54 38.941 2.123 0.796 0.537 0.849 0.566 CB 1.594 54 residues pruned to eliminate duplicates Z: 124 56.642 2.090 0.782 0.489 0.935 0.602 CB 1.483 124 residues pruned to eliminate duplicates Z: 36 33.564 2.110 0.955 0.523 0.857 0.543 CB 1.568 36 residues pruned to eliminate duplicates Z: 124 51.340 2.094 0.847 0.484 0.870 0.610 CB 1.398 124 residues pruned to eliminate duplicates Z: 50 46.048 2.109 0.943 0.561 0.918 0.531 CB 1.648 50 residues pruned to eliminate duplicates Z: 37 38.028 2.055 0.784 0.605 0.972 0.667 CB 1.610 37 residues pruned to eliminate duplicates Z: 37 36.722 2.086 0.862 0.611 0.917 0.611 CB 1.547 37 residues pruned to eliminate duplicates Z: 55 37.918 2.071 0.988 0.519 0.833 0.556 CB 1.476 55 residues pruned to eliminate duplicates Z: 49 40.269 2.109 0.866 0.568 0.938 0.625 CB 1.475 49 residues pruned to eliminate duplicates Z: 36 37.944 2.146 0.882 0.569 0.914 0.657 CB 1.626 36 residues pruned to eliminate duplicates Z: 36 41.369 2.071 1.017 0.629 0.943 0.657 CB 1.572 36 residues pruned to eliminate duplicates Z: 18 19.939 2.027 0.784 0.536 0.882 0.471 CB 1.463 18 residues pruned to eliminate duplicates Z: 17 13.704 1.990 0.567 0.454 0.875 0.750 CB 1.317 17 residues pruned to eliminate duplicates Z: 38 37.523 2.130 0.938 0.537 0.892 0.595 CB 1.615 38 residues pruned to eliminate duplicates Z: 15 17.288 2.070 0.804 0.514 0.857 0.571 CB 1.423 15 residues pruned to eliminate duplicates Z: 15 24.224 2.064 0.952 0.623 1.000 0.571 CB 1.430 15 residues pruned to eliminate duplicates Z: 36 37.442 2.156 0.798 0.556 0.943 0.600 CB 1.641 36 residues pruned to eliminate duplicates Z: 107 56.391 2.114 0.878 0.547 0.934 0.623 CB 1.411 107 residues pruned to eliminate duplicates Z: 47 38.482 2.045 0.889 0.527 0.935 0.565 CB 1.531 47 residues pruned to eliminate duplicates Z: 51 31.608 1.991 0.833 0.468 0.860 0.500 CB 1.471 51 residues pruned to eliminate duplicates Z: 29 10.728 1.839 0.612 0.337 0.750 0.357 CB 1.090 29 residues pruned to eliminate duplicates Z: 9 8.028 1.829 1.032 0.343 1.000 0.375 CB 0.906 9 residues pruned to eliminate duplicates Z: 48 38.294 2.039 0.930 0.528 0.894 0.638 CB 1.545 48 residues pruned to eliminate duplicates Z: 24 12.659 1.911 0.679 0.310 0.826 0.522 CB 1.229 24 residues pruned to eliminate duplicates Z: 17 10.115 1.918 0.691 0.354 0.875 0.500 CB 1.044 17 residues pruned to eliminate duplicates Z: 21 14.497 1.966 0.933 0.414 0.850 0.500 CB 1.097 21 residues pruned to eliminate duplicates Z: 20 15.419 1.940 0.899 0.401 0.947 0.526 CB 1.126 20 residues pruned to eliminate duplicates Z: 25 14.917 1.941 0.675 0.313 0.833 0.542 CB 1.382 25 residues pruned to eliminate duplicates Z: 22 13.666 1.931 0.900 0.355 0.857 0.571 CB 1.109 22 residues pruned to eliminate duplicates Z: 21 15.657 2.000 0.911 0.369 0.850 0.450 CB 1.241 21 residues pruned to eliminate duplicates Z: 26 9.848 1.841 0.914 0.245 0.720 0.520 CB 1.042 26 residues pruned to eliminate duplicates Z: 23 12.189 1.892 0.645 0.328 0.864 0.455 CB 1.168 23 residues pruned to eliminate duplicates Z: 40 23.457 1.983 0.607 0.490 0.923 0.590 CB 1.290 40 residues pruned to eliminate duplicates Z: 27 12.086 1.903 0.531 0.322 0.769 0.385 CB 1.287 27 residues pruned to eliminate duplicates Z: 52 28.098 2.000 0.828 0.505 0.824 0.569 CB 1.300 52 residues pruned to eliminate duplicates Z: 24 14.714 1.931 0.813 0.372 0.783 0.522 CB 1.285 24 residues pruned to eliminate duplicates Z: 23 13.429 1.909 0.726 0.357 0.818 0.500 CB 1.239 23 residues pruned to eliminate duplicates Z: 42 25.737 2.029 0.585 0.552 0.927 0.659 CB 1.282 42 residues pruned to eliminate duplicates Z: 78 43.473 2.070 0.766 0.539 0.922 0.636 CB 1.415 78 residues pruned to eliminate duplicates Z: 107 50.193 2.067 0.766 0.544 0.896 0.566 CB 1.428 107 residues pruned to eliminate duplicates Z: 49 28.416 2.038 0.610 0.543 0.896 0.562 CB 1.337 49 residues pruned to eliminate duplicates Z: 55 31.264 2.029 0.715 0.533 0.907 0.593 CB 1.305 55 residues pruned to eliminate duplicates Z: 40 30.507 2.042 0.822 0.574 0.949 0.667 CB 1.289 40 residues pruned to eliminate duplicates Z: 41 28.188 2.039 0.696 0.592 0.950 0.550 CB 1.242 41 residues pruned to eliminate duplicates Z: 54 37.187 2.051 0.840 0.565 0.925 0.679 CB 1.375 54 residues pruned to eliminate duplicates Z: 40 30.807 2.060 0.736 0.610 0.923 0.641 CB 1.346 40 residues pruned to eliminate duplicates Z: 53 31.291 2.029 0.697 0.544 0.942 0.635 CB 1.281 53 residues pruned to eliminate duplicates Z: 52 31.082 2.029 0.740 0.499 0.922 0.608 CB 1.340 52 residues pruned to eliminate duplicates Z: 43 25.204 2.022 0.640 0.571 0.905 0.667 CB 1.211 43 residues pruned to eliminate duplicates Z: 41 24.654 2.026 0.685 0.527 0.850 0.650 CB 1.308 41 residues pruned to eliminate duplicates Z: 169 66.515 2.102 0.884 0.542 0.905 0.661 CB 1.375 169 residues pruned to eliminate duplicates Z: 53 26.557 2.019 0.653 0.536 0.885 0.635 CB 1.204 53 residues pruned to eliminate duplicates Z: 19 18.771 2.120 0.655 0.625 0.833 0.722 CB 1.346 19 residues pruned to eliminate duplicates Z: 45 24.930 1.995 0.728 0.487 0.864 0.568 CB 1.279 45 residues pruned to eliminate duplicates Z: 53 36.145 2.075 0.859 0.548 0.942 0.558 CB 1.316 53 residues pruned to eliminate duplicates Z: 56 34.427 2.021 0.786 0.516 0.945 0.618 CB 1.339 56 residues pruned to eliminate duplicates Z: 41 28.478 2.073 0.722 0.552 0.925 0.625 CB 1.296 41 residues pruned to eliminate duplicates Z: 42 25.494 2.030 0.613 0.555 0.878 0.634 CB 1.312 42 residues pruned to eliminate duplicates Z: 51 34.348 2.072 0.846 0.560 0.920 0.660 CB 1.302 51 residues pruned to eliminate duplicates Z: 55 32.745 2.039 0.738 0.539 0.907 0.630 CB 1.334 55 residues pruned to eliminate duplicates Z: 45 33.713 2.066 0.811 0.594 0.955 0.614 CB 1.300 45 residues pruned to eliminate duplicates Z: 53 36.476 2.048 0.854 0.551 0.923 0.596 CB 1.373 53 residues pruned to eliminate duplicates Z: 55 34.021 2.048 0.832 0.546 0.926 0.556 CB 1.274 55 residues pruned to eliminate duplicates Z: 54 38.343 2.054 0.853 0.584 0.981 0.623 CB 1.301 54 residues pruned to eliminate duplicates Z: 54 35.614 2.040 0.926 0.573 0.962 0.509 CB 1.206 54 residues pruned to eliminate duplicates Z: 54 35.019 2.058 0.764 0.611 0.925 0.679 CB 1.290 54 residues pruned to eliminate duplicates Z: 45 29.871 2.058 0.646 0.585 0.932 0.591 CB 1.315 45 residues pruned to eliminate duplicates Z: 49 33.011 2.052 0.785 0.561 0.896 0.625 CB 1.369 49 residues pruned to eliminate duplicates Z: 32 26.709 2.121 0.706 0.581 0.871 0.645 CB 1.408 32 residues pruned to eliminate duplicates Z: 54 28.005 1.963 0.710 0.490 0.906 0.604 CB 1.278 54 residues pruned to eliminate duplicates Z: 40 28.896 2.035 0.635 0.577 0.923 0.590 CB 1.399 40 residues pruned to eliminate duplicates Z: 55 34.575 1.981 0.790 0.577 0.944 0.611 CB 1.304 55 residues pruned to eliminate duplicates Z: 22 22.763 1.992 0.756 0.715 0.952 0.714 CB 1.227 22 residues pruned to eliminate duplicates Z: 22 21.451 2.011 0.731 0.657 0.905 0.667 CB 1.285 22 residues pruned to eliminate duplicates Z: 23 14.035 1.867 0.568 0.572 0.864 0.591 CB 1.104 23 residues pruned to eliminate duplicates Z: 20 25.832 2.045 0.937 0.730 0.895 0.737 CB 1.360 20 residues pruned to eliminate duplicates Z: 75 40.501 2.044 0.783 0.561 0.905 0.635 CB 1.345 133 residues pruned to eliminate duplicates Z: 21 21.815 2.017 0.714 0.744 0.950 0.800 CB 1.193 21 residues pruned to eliminate duplicates Z: 14 24.125 2.071 1.131 0.593 0.923 0.769 CB 1.503 14 residues pruned to eliminate duplicates Z: 19 24.037 2.077 0.741 0.748 0.889 0.833 CB 1.413 19 residues pruned to eliminate duplicates Z: 39 23.701 1.884 0.846 0.595 0.921 0.553 CB 1.096 39 residues pruned to eliminate duplicates Z: 26 23.033 1.999 0.806 0.596 0.880 0.680 CB 1.323 26 residues pruned to eliminate duplicates Z: 22 27.536 2.043 1.020 0.714 0.905 0.714 CB 1.325 22 residues pruned to eliminate duplicates Z: 22 23.025 2.013 1.105 0.630 0.810 0.619 CB 1.296 22 residues pruned to eliminate duplicates Z: 21 25.022 2.034 0.870 0.713 0.950 0.800 CB 1.277 21 residues pruned to eliminate duplicates Z: 70 40.003 2.056 0.900 0.562 0.870 0.551 CB 1.335 70 residues pruned to eliminate duplicates Z: 34 27.290 1.973 0.750 0.635 0.939 0.758 CB 1.291 34 residues pruned to eliminate duplicates Z: 31 22.533 1.934 0.794 0.646 0.967 0.700 CB 1.070 31 residues pruned to eliminate duplicates Z: 35 28.978 1.965 0.756 0.633 1.000 0.706 CB 1.271 35 residues pruned to eliminate duplicates Z: 34 24.580 1.918 0.795 0.578 0.909 0.636 CB 1.268 34 residues pruned to eliminate duplicates Z: 33 30.454 1.975 0.974 0.724 0.938 0.781 CB 1.203 33 residues pruned to eliminate duplicates Z: 35 31.289 1.986 0.860 0.670 0.912 0.588 CB 1.362 35 residues pruned to eliminate duplicates Z: 37 30.603 1.978 0.830 0.680 0.944 0.694 CB 1.264 37 residues pruned to eliminate duplicates Z: 126 51.217 1.956 0.805 0.570 0.896 0.576 CB 1.354 126 residues pruned to eliminate duplicates Z: 37 32.421 2.002 0.778 0.678 0.972 0.722 CB 1.326 37 residues pruned to eliminate duplicates Z: 42 22.034 1.881 0.725 0.604 0.854 0.488 CB 1.125 42 residues pruned to eliminate duplicates Z: 34 26.340 1.963 0.692 0.653 0.909 0.606 CB 1.316 34 residues pruned to eliminate duplicates Z: 88 44.212 2.025 0.800 0.579 0.862 0.586 CB 1.398 88 residues pruned to eliminate duplicates Z: 21 15.056 1.859 0.489 0.570 0.900 0.650 CB 1.262 21 residues pruned to eliminate duplicates Z: 38 29.603 1.956 0.826 0.692 0.946 0.622 CB 1.209 38 residues pruned to eliminate duplicates Z: 39 30.835 1.969 0.830 0.677 0.947 0.763 CB 1.244 39 residues pruned to eliminate duplicates Z: 90 49.262 2.030 0.842 0.612 0.921 0.640 CB 1.364 116 residues pruned to eliminate duplicates Z: 7 6.505 1.477 0.443 0.629 1.000 0.667 CB 1.104 Z: 6 6.298 1.517 0.655 0.640 1.000 0.600 CB 0.984 6 residues pruned to eliminate duplicates Z: 6 3.263 1.670 0.766 0.285 0.800 0.600 CB 0.788 Z: 6 2.194 1.441 0.465 0.299 0.800 0.600 CA 0.728 Z: 6 3.472 1.483 0.586 0.278 1.000 0.400 CB 0.848 16 residues pruned to eliminate duplicates Z: 8 6.475 1.423 0.753 0.498 1.000 0.714 N 0.983 Z: 9 13.640 1.972 0.678 0.611 0.875 0.625 CB 1.499 16 residues pruned to eliminate duplicates Z: 8 14.123 1.759 1.082 0.691 1.000 0.714 CB 1.224 8 residues pruned to eliminate duplicates Z: 37 17.421 1.897 0.752 0.312 0.861 0.472 CB 1.248 45 residues pruned to eliminate duplicates Z: 7 13.042 1.865 1.163 0.683 0.833 0.500 CB 1.339 7 residues pruned to eliminate duplicates Z: 75 30.735 1.940 0.669 0.485 0.892 0.568 CB 1.256 75 residues pruned to eliminate duplicates Z: 56 34.067 1.961 0.738 0.558 0.945 0.564 CB 1.348 56 residues pruned to eliminate duplicates Z: 57 19.499 1.829 0.704 0.351 0.804 0.429 CB 1.223 57 residues pruned to eliminate duplicates Z: 22 12.341 1.792 0.689 0.313 0.810 0.381 CB 1.351 22 residues pruned to eliminate duplicates Z: 78 29.567 1.923 0.710 0.477 0.818 0.532 CB 1.282 78 residues pruned to eliminate duplicates Z: 8 6.287 1.841 0.420 0.283 1.000 0.429 CB 1.161 8 residues pruned to eliminate duplicates Z: 25 6.736 1.844 0.324 0.286 0.792 0.542 CB 0.905 25 residues pruned to eliminate duplicates Z: 8 3.967 1.886 0.196 0.328 0.714 0.429 CB 1.124 8 residues pruned to eliminate duplicates Z: 27 15.755 1.917 0.773 0.441 0.808 0.462 CB 1.196 27 residues pruned to eliminate duplicates Z: 63 21.405 1.881 0.594 0.372 0.823 0.548 CB 1.264 46 residues pruned to eliminate duplicates Z: 6 4.920 1.582 0.521 0.292 1.000 0.400 O 1.155 Z: 8 4.173 1.484 0.938 0.314 0.571 0.429 N 1.179 8 residues pruned to eliminate duplicates Z: 18 13.552 1.925 0.815 0.382 0.882 0.588 CB 1.209 24 residues pruned to eliminate duplicates Z: 23 14.106 1.974 0.644 0.451 0.909 0.545 CB 1.072 23 residues pruned to eliminate duplicates Z: 25 14.982 1.890 0.701 0.428 0.833 0.583 CB 1.230 25 residues pruned to eliminate duplicates Z: 22 15.524 1.957 0.648 0.542 0.905 0.619 CB 1.114 22 residues pruned to eliminate duplicates Z: 24 15.155 1.913 0.652 0.486 0.870 0.609 CB 1.166 24 residues pruned to eliminate duplicates Z: 46 19.662 1.882 0.667 0.439 0.844 0.578 CB 1.177 46 residues pruned to eliminate duplicates Z: 24 17.541 1.953 0.763 0.490 0.913 0.609 CB 1.175 24 residues pruned to eliminate duplicates Z: 42 31.387 2.054 0.826 0.547 0.927 0.683 CB 1.346 42 residues pruned to eliminate duplicates Z: 49 28.009 1.992 0.667 0.559 0.854 0.688 CB 1.346 49 residues pruned to eliminate duplicates Z: 24 18.453 1.978 0.680 0.409 0.913 0.565 CB 1.395 24 residues pruned to eliminate duplicates Z: 24 18.815 1.979 0.814 0.491 0.913 0.696 CB 1.208 24 residues pruned to eliminate duplicates Z: 41 23.763 1.950 0.733 0.381 0.900 0.500 CB 1.402 41 residues pruned to eliminate duplicates Z: 24 16.202 1.950 0.697 0.435 0.870 0.565 CB 1.256 24 residues pruned to eliminate duplicates Z: 41 29.898 2.066 0.759 0.582 0.950 0.725 CB 1.265 41 residues pruned to eliminate duplicates Z: 55 28.471 2.007 0.555 0.552 0.926 0.593 CB 1.275 55 residues pruned to eliminate duplicates Z: 40 29.111 2.073 0.650 0.599 0.949 0.718 CB 1.307 40 residues pruned to eliminate duplicates Z: 41 31.244 2.053 0.727 0.596 0.950 0.675 CB 1.338 41 residues pruned to eliminate duplicates Z: 72 35.479 2.023 0.681 0.574 0.887 0.634 CB 1.300 72 residues pruned to eliminate duplicates Z: 51 37.390 2.070 0.778 0.590 0.960 0.700 CB 1.373 51 residues pruned to eliminate duplicates Z: 52 34.082 2.071 0.778 0.566 0.922 0.706 CB 1.319 52 residues pruned to eliminate duplicates Z: 105 45.316 1.990 0.776 0.539 0.894 0.577 CB 1.353 105 residues pruned to eliminate duplicates Z: 52 31.123 2.028 0.797 0.536 0.902 0.667 CB 1.280 52 residues pruned to eliminate duplicates Z: 51 33.066 2.066 0.746 0.543 0.880 0.620 CB 1.413 51 residues pruned to eliminate duplicates Z: 40 32.407 2.043 0.861 0.618 0.923 0.615 CB 1.323 40 residues pruned to eliminate duplicates Z: 41 32.149 2.073 0.803 0.592 0.950 0.600 CB 1.311 41 residues pruned to eliminate duplicates Z: 55 33.650 1.998 0.808 0.570 0.889 0.630 CB 1.332 55 residues pruned to eliminate duplicates Z: 42 31.166 2.058 0.896 0.554 0.902 0.561 CB 1.312 42 residues pruned to eliminate duplicates Z: 56 37.662 2.037 0.865 0.549 0.927 0.636 CB 1.373 56 residues pruned to eliminate duplicates Z: 51 38.055 2.082 0.906 0.574 0.940 0.640 CB 1.344 51 residues pruned to eliminate duplicates Z: 53 33.735 2.050 0.739 0.544 0.942 0.615 CB 1.334 53 residues pruned to eliminate duplicates Z: 52 34.143 2.059 0.836 0.553 0.902 0.667 CB 1.331 52 residues pruned to eliminate duplicates Z: 55 31.902 2.043 0.731 0.568 0.852 0.704 CB 1.349 55 residues pruned to eliminate duplicates Z: 52 34.607 2.037 0.813 0.578 0.922 0.588 CB 1.320 52 residues pruned to eliminate duplicates Z: 109 48.357 2.007 0.795 0.552 0.917 0.648 CB 1.340 109 residues pruned to eliminate duplicates Z: 53 35.499 2.072 0.736 0.542 0.942 0.635 CB 1.393 53 residues pruned to eliminate duplicates Z: 52 35.273 2.059 0.832 0.572 0.902 0.588 CB 1.354 52 residues pruned to eliminate duplicates Z: 87 39.916 2.018 0.678 0.548 0.884 0.616 CB 1.373 87 residues pruned to eliminate duplicates Z: 55 32.142 2.044 0.782 0.537 0.870 0.556 CB 1.331 55 residues pruned to eliminate duplicates Z: 53 32.696 2.070 0.729 0.566 0.865 0.577 CB 1.373 53 residues pruned to eliminate duplicates Z: 54 36.613 2.072 0.763 0.586 0.925 0.642 CB 1.371 54 residues pruned to eliminate duplicates Z: 56 29.800 1.981 0.836 0.540 0.818 0.600 CB 1.298 56 residues pruned to eliminate duplicates Z: 55 33.999 2.046 0.744 0.560 0.889 0.556 CB 1.377 55 residues pruned to eliminate duplicates Z: 53 35.495 2.045 0.801 0.595 0.923 0.558 CB 1.323 53 residues pruned to eliminate duplicates Z: 8 12.643 1.809 0.792 0.712 0.857 0.714 CB 1.419 8 residues pruned to eliminate duplicates Z: 51 32.099 2.050 0.714 0.554 0.900 0.540 CB 1.363 51 residues pruned to eliminate duplicates 465 residues left after pruning, divided into chains as follows: A: 185 B: 54 C: 12 D: 214 CC for partial structure against native data = 42.63 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.689, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.803, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.946, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.973, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.991, Connect. = 0.802 for dens.mod. cycle 5 = 0.300, Contrast = 0.995, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.999, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.997, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.995, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.992, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2320 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 508 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 14 28.864 2.127 0.929 0.844 1.000 0.769 CB 1.451 B: 15 21.533 1.745 1.267 0.689 0.786 0.571 CB 1.558 C: 12 25.324 2.109 0.876 0.835 1.000 0.636 CB 1.446 15 residues pruned to eliminate duplicates D: 15 32.991 2.148 0.894 0.896 1.000 0.786 CB 1.553 E: 12 27.923 2.208 1.026 0.865 0.909 0.818 CB 1.517 F: 10 19.041 2.021 0.770 0.812 0.889 0.778 CA 1.522 9 residues pruned to eliminate duplicates G: 35 40.491 2.139 0.895 0.587 0.941 0.647 CB 1.674 12 residues pruned to eliminate duplicates H: 12 22.213 2.003 0.623 0.850 1.000 0.636 CB 1.526 I: 12 25.500 2.165 0.963 0.870 0.909 0.636 CB 1.453 13 residues pruned to eliminate duplicates J: 12 24.609 1.831 0.811 0.852 1.000 0.636 CB 1.655 K: 13 18.126 1.908 0.618 0.900 0.917 0.917 CB 1.320 L: 15 25.467 1.970 0.682 0.850 1.000 0.857 CB 1.522 M: 13 21.632 1.943 0.496 0.867 1.000 0.917 CA 1.572 13 residues pruned to eliminate duplicates N: 14 19.864 1.878 0.741 0.899 0.923 0.769 CB 1.305 14 residues pruned to eliminate duplicates O: 19 29.475 1.984 0.656 0.926 1.000 0.944 CB 1.482 P: 21 28.512 2.104 0.802 0.687 0.900 0.500 CB 1.575 15 residues pruned to eliminate duplicates Q: 9 9.404 1.866 0.866 0.446 0.750 0.500 CB 1.346 R: 91 40.417 1.998 0.749 0.564 0.867 0.600 CB 1.323 28 residues pruned to eliminate duplicates S: 6 5.052 1.843 0.243 0.519 0.800 0.800 CB 1.210 6 residues pruned to eliminate duplicates T: 13 21.280 1.946 1.131 0.822 0.750 0.500 CB 1.494 12 residues pruned to eliminate duplicates U: 20 26.640 1.936 0.875 0.894 1.000 0.842 CB 1.207 V: 21 25.298 1.907 0.515 0.948 1.000 0.950 CB 1.352 22 residues pruned to eliminate duplicates W: 13 19.501 1.927 0.553 0.923 1.000 0.917 CB 1.321 13 residues pruned to eliminate duplicates X: 12 20.117 1.822 0.581 0.884 1.000 0.909 CB 1.521 12 residues pruned to eliminate duplicates Y: 35 29.942 2.068 0.842 0.481 0.824 0.471 CB 1.669 34 residues pruned to eliminate duplicates Z: 47 30.248 2.000 0.819 0.501 0.848 0.478 CB 1.445 36 residues pruned to eliminate duplicates Z: 13 22.652 2.056 0.856 0.655 0.833 0.667 CB 1.780 13 residues pruned to eliminate duplicates Z: 10 21.753 2.093 0.788 0.751 0.889 0.778 CA 1.743 11 residues pruned to eliminate duplicates Z: 14 17.507 2.021 0.976 0.637 1.000 0.846 CB 1.070 14 residues pruned to eliminate duplicates Z: 34 30.434 2.094 0.801 0.633 0.879 0.606 CB 1.410 Z: 12 25.178 1.866 0.648 0.908 1.000 1.000 CA 1.754 11 residues pruned to eliminate duplicates Z: 8 6.367 2.094 0.236 0.640 0.857 0.571 CB 0.951 Z: 15 25.243 1.841 0.890 0.882 1.000 0.857 CB 1.404 15 residues pruned to eliminate duplicates Z: 7 9.970 1.854 0.569 0.729 0.833 0.500 CB 1.366 Z: 8 10.579 1.999 0.660 0.524 0.857 0.571 CB 1.373 Z: 10 32.258 2.304 0.992 0.911 1.000 1.000 CB 1.661 11 residues pruned to eliminate duplicates Z: 15 35.741 2.119 1.142 0.891 1.000 0.786 CB 1.513 15 residues pruned to eliminate duplicates Z: 22 25.562 1.978 0.823 0.814 0.952 0.762 CB 1.236 22 residues pruned to eliminate duplicates Z: 15 25.996 2.073 0.481 0.900 1.000 0.857 CA 1.615 15 residues pruned to eliminate duplicates Z: 14 29.314 1.999 1.010 0.910 1.000 0.692 CA 1.435 11 residues pruned to eliminate duplicates Z: 19 36.124 2.043 0.745 0.935 1.000 0.889 CB 1.664 19 residues pruned to eliminate duplicates Z: 22 19.949 2.001 0.466 0.790 0.952 0.619 CB 1.208 20 residues pruned to eliminate duplicates Z: 16 29.610 2.017 0.701 0.870 1.000 0.933 CB 1.626 16 residues pruned to eliminate duplicates Z: 18 22.961 2.041 0.447 0.910 0.941 0.941 CB 1.421 18 residues pruned to eliminate duplicates Z: 16 11.986 1.876 0.650 0.415 0.800 0.333 CB 1.365 7 residues pruned to eliminate duplicates Z: 35 19.860 1.954 0.487 0.552 0.941 0.676 CB 1.184 Z: 18 15.531 1.777 0.936 0.699 0.824 0.706 CB 1.109 13 residues pruned to eliminate duplicates Z: 15 23.905 1.963 0.907 0.826 1.000 0.786 CB 1.287 15 residues pruned to eliminate duplicates Z: 19 29.375 1.969 0.686 0.948 1.000 1.000 CB 1.440 19 residues pruned to eliminate duplicates Z: 19 34.839 1.996 0.804 0.922 1.000 0.944 CB 1.604 19 residues pruned to eliminate duplicates Z: 19 27.016 2.033 0.586 0.916 1.000 0.778 CB 1.395 19 residues pruned to eliminate duplicates Z: 47 19.315 1.945 0.603 0.405 0.870 0.630 CB 1.161 31 residues pruned to eliminate duplicates Z: 12 31.224 2.156 0.891 0.814 1.000 0.636 CB 1.757 25 residues pruned to eliminate duplicates Z: 15 22.729 1.976 0.462 0.896 1.000 0.857 CB 1.507 15 residues pruned to eliminate duplicates Z: 26 16.650 2.018 0.661 0.327 0.880 0.520 CB 1.365 Z: 12 33.340 2.250 0.798 0.927 1.000 0.818 CA 1.742 17 residues pruned to eliminate duplicates Z: 18 34.425 2.124 0.802 0.882 1.000 0.824 CB 1.578 18 residues pruned to eliminate duplicates Z: 9 12.323 1.590 1.058 0.692 0.875 0.750 CB 1.277 9 residues pruned to eliminate duplicates Z: 18 11.652 2.002 0.303 0.623 0.882 0.706 CB 1.093 18 residues pruned to eliminate duplicates Z: 11 29.148 2.337 0.637 0.799 1.000 0.800 CB 1.855 11 residues pruned to eliminate duplicates Z: 12 24.747 2.028 0.769 0.846 0.909 0.727 CB 1.700 12 residues pruned to eliminate duplicates Z: 41 25.852 2.019 0.704 0.480 0.800 0.550 CB 1.515 41 residues pruned to eliminate duplicates Z: 13 13.739 1.883 0.344 0.751 0.833 0.667 CB 1.504 13 residues pruned to eliminate duplicates Z: 21 25.168 2.024 0.575 0.810 1.000 0.800 CB 1.347 21 residues pruned to eliminate duplicates Z: 20 20.232 2.003 0.914 0.511 0.842 0.632 CB 1.422 20 residues pruned to eliminate duplicates Z: 11 17.666 2.002 0.649 0.761 1.000 0.700 CB 1.342 11 residues pruned to eliminate duplicates Z: 13 12.706 1.982 0.347 0.729 0.917 0.750 CB 1.219 13 residues pruned to eliminate duplicates Z: 17 17.817 1.891 0.887 0.750 0.812 0.500 CB 1.229 17 residues pruned to eliminate duplicates Z: 15 18.497 1.863 0.782 0.911 0.929 0.786 CB 1.137 Z: 15 8.903 1.926 0.345 0.447 0.929 0.643 CB 1.044 15 residues pruned to eliminate duplicates Z: 13 15.119 1.810 0.975 0.541 0.750 0.583 CB 1.564 12 residues pruned to eliminate duplicates Z: 19 34.621 2.036 1.070 0.888 0.944 0.889 CB 1.477 19 residues pruned to eliminate duplicates Z: 44 40.958 2.151 0.897 0.646 0.907 0.721 CB 1.473 36 residues pruned to eliminate duplicates Z: 29 23.623 2.040 0.704 0.534 0.964 0.571 CB 1.287 29 residues pruned to eliminate duplicates Z: 30 20.054 2.040 0.604 0.503 0.862 0.724 CB 1.316 32 residues pruned to eliminate duplicates Z: 37 32.251 2.038 0.814 0.596 0.944 0.583 CB 1.404 34 residues pruned to eliminate duplicates Z: 7 10.574 1.803 0.381 0.788 1.000 0.833 CB 1.346 7 residues pruned to eliminate duplicates Z: 16 21.504 1.938 0.687 0.811 0.933 0.867 CB 1.389 16 residues pruned to eliminate duplicates Z: 12 23.437 2.079 1.005 0.828 0.909 0.818 CB 1.404 12 residues pruned to eliminate duplicates Z: 14 19.689 1.859 0.555 0.899 1.000 0.846 CB 1.350 15 residues pruned to eliminate duplicates Z: 19 11.446 1.853 0.762 0.347 0.778 0.611 CB 1.254 15 residues pruned to eliminate duplicates Z: 15 32.505 2.106 0.797 0.898 1.000 0.857 CB 1.642 15 residues pruned to eliminate duplicates Z: 14 17.693 2.006 0.382 0.825 0.923 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 19 35.928 2.047 0.964 0.887 1.000 0.889 CB 1.519 19 residues pruned to eliminate duplicates Z: 76 32.311 2.071 0.578 0.468 0.893 0.600 CB 1.320 76 residues pruned to eliminate duplicates Z: 15 33.535 2.085 0.989 0.880 1.000 0.714 CB 1.565 15 residues pruned to eliminate duplicates Z: 17 23.332 1.809 0.715 0.878 1.000 0.938 CB 1.364 17 residues pruned to eliminate duplicates Z: 6 6.150 1.923 -0.110 0.843 1.000 0.600 CB 1.197 Z: 14 7.755 1.894 0.439 0.404 0.846 0.462 CB 1.032 12 residues pruned to eliminate duplicates Z: 13 21.207 1.880 0.740 0.840 0.917 0.750 CB 1.524 13 residues pruned to eliminate duplicates Z: 11 17.675 1.816 0.491 0.915 1.000 1.000 CA 1.458 11 residues pruned to eliminate duplicates Z: 45 34.382 2.047 0.611 0.709 0.886 0.727 CB 1.467 50 residues pruned to eliminate duplicates Z: 11 16.496 1.839 0.498 0.888 1.000 0.900 CB 1.365 Z: 10 11.283 1.740 0.529 0.707 0.889 0.556 CB 1.317 10 residues pruned to eliminate duplicates Z: 15 24.053 1.858 0.869 0.907 1.000 0.714 CB 1.316 15 residues pruned to eliminate duplicates Z: 11 24.216 2.000 0.934 0.775 1.000 0.700 CA 1.554 11 residues pruned to eliminate duplicates Z: 19 26.870 1.990 0.711 0.892 0.944 0.778 CB 1.414 19 residues pruned to eliminate duplicates Z: 10 9.973 1.907 0.531 0.428 0.778 0.667 CB 1.577 Z: 20 9.893 1.860 0.728 0.327 0.737 0.526 CB 1.159 20 residues pruned to eliminate duplicates Z: 13 29.342 2.017 0.963 0.867 1.000 0.667 CB 1.565 13 residues pruned to eliminate duplicates Z: 20 31.078 1.972 1.204 0.863 1.000 0.526 CB 1.204 20 residues pruned to eliminate duplicates Z: 13 26.161 1.948 0.719 0.928 1.000 0.750 CB 1.580 13 residues pruned to eliminate duplicates Z: 12 28.699 2.118 0.960 0.889 1.000 0.818 CB 1.500 12 residues pruned to eliminate duplicates Z: 8 9.133 1.527 0.585 0.747 1.000 0.429 CB 1.144 8 residues pruned to eliminate duplicates Z: 51 29.116 2.075 0.690 0.537 0.880 0.660 CB 1.287 51 residues pruned to eliminate duplicates Z: 57 25.668 2.040 0.632 0.400 0.911 0.571 CB 1.257 71 residues pruned to eliminate duplicates Z: 8 14.707 1.889 0.458 0.887 1.000 1.000 CA 1.455 8 residues pruned to eliminate duplicates Z: 29 28.908 2.146 0.900 0.541 0.929 0.500 CB 1.386 29 residues pruned to eliminate duplicates Z: 7 3.712 1.739 0.789 0.407 0.833 0.500 CB 0.644 Z: 17 21.689 1.841 0.708 0.902 1.000 0.875 CB 1.229 17 residues pruned to eliminate duplicates Z: 12 25.545 1.946 0.872 0.882 1.000 0.909 CB 1.530 12 residues pruned to eliminate duplicates Z: 9 14.889 1.756 0.522 0.828 1.000 0.750 CA 1.483 9 residues pruned to eliminate duplicates Z: 12 26.385 2.172 0.745 0.892 1.000 0.909 CB 1.508 12 residues pruned to eliminate duplicates Z: 20 23.917 1.965 0.634 0.826 0.947 0.632 CB 1.361 20 residues pruned to eliminate duplicates Z: 12 29.054 2.316 0.745 0.735 1.000 0.545 CB 1.755 17 residues pruned to eliminate duplicates Z: 13 24.577 2.024 0.792 0.801 1.000 0.750 CB 1.504 13 residues pruned to eliminate duplicates Z: 14 10.634 1.879 0.745 0.526 0.769 0.538 CB 1.140 14 residues pruned to eliminate duplicates Z: 14 14.152 1.893 0.740 0.523 0.769 0.538 CB 1.514 14 residues pruned to eliminate duplicates Z: 6 6.077 1.797 0.097 0.688 0.800 0.600 CB 1.450 Z: 53 39.041 2.114 0.725 0.568 0.885 0.712 CB 1.571 53 residues pruned to eliminate duplicates Z: 6 15.976 2.057 0.880 0.706 1.000 1.000 CB 1.532 7 residues pruned to eliminate duplicates Z: 19 18.852 2.059 0.340 0.798 0.944 0.778 CB 1.313 19 residues pruned to eliminate duplicates Z: 7 10.068 1.879 0.965 0.700 0.833 0.833 CB 1.114 Z: 42 35.467 2.070 0.789 0.659 0.902 0.707 CB 1.430 42 residues pruned to eliminate duplicates Z: 8 13.862 1.971 0.979 0.774 0.857 0.571 N 1.230 8 residues pruned to eliminate duplicates Z: 11 26.495 2.047 1.050 0.784 0.900 0.900 CB 1.728 11 residues pruned to eliminate duplicates Z: 14 8.130 1.938 0.356 0.371 0.846 0.385 CB 1.165 14 residues pruned to eliminate duplicates Z: 11 13.757 1.770 0.474 0.881 1.000 0.900 CB 1.207 11 residues pruned to eliminate duplicates Z: 8 4.543 1.691 0.370 0.596 0.857 0.714 CB 0.789 Z: 52 47.668 2.111 0.992 0.655 0.941 0.765 CB 1.460 38 residues pruned to eliminate duplicates Z: 18 17.197 1.806 0.553 0.707 0.941 0.647 CB 1.309 Z: 14 26.936 1.861 0.981 0.892 1.000 0.692 CB 1.455 14 residues pruned to eliminate duplicates Z: 12 20.399 1.963 0.572 0.821 1.000 0.818 CB 1.509 12 residues pruned to eliminate duplicates Z: 10 11.808 1.702 0.446 0.850 0.889 0.667 CB 1.334 10 residues pruned to eliminate duplicates Z: 55 33.815 2.028 0.848 0.584 0.870 0.593 CB 1.302 39 residues pruned to eliminate duplicates Z: 32 22.210 1.974 0.578 0.522 0.935 0.710 CB 1.339 38 residues pruned to eliminate duplicates Z: 16 20.439 1.942 0.484 0.906 1.000 0.933 CB 1.303 16 residues pruned to eliminate duplicates Z: 23 32.549 2.005 0.793 0.848 0.955 0.773 CB 1.500 23 residues pruned to eliminate duplicates Z: 15 23.765 1.764 0.969 0.898 1.000 0.714 CB 1.308 15 residues pruned to eliminate duplicates Z: 10 15.913 2.082 0.763 0.362 1.000 0.778 N 1.676 10 residues pruned to eliminate duplicates Z: 54 28.996 2.005 0.726 0.535 0.906 0.604 CB 1.228 54 residues pruned to eliminate duplicates Z: 12 22.460 1.968 0.653 0.922 1.000 0.727 CB 1.464 12 residues pruned to eliminate duplicates Z: 15 14.964 1.817 0.637 0.767 0.786 0.786 CB 1.350 15 residues pruned to eliminate duplicates Z: 11 8.196 1.756 0.969 0.347 0.900 0.400 CB 0.984 Z: 16 11.373 1.937 0.454 0.577 0.933 0.800 CB 1.037 13 residues pruned to eliminate duplicates Z: 18 36.041 2.039 0.937 0.925 1.000 0.882 CB 1.553 18 residues pruned to eliminate duplicates Z: 52 31.744 2.024 0.687 0.571 0.882 0.608 CB 1.377 52 residues pruned to eliminate duplicates Z: 6 4.065 1.723 0.776 0.346 0.600 0.400 CB 1.170 Z: 6 4.049 1.922 -0.127 0.720 0.800 0.600 CB 1.105 6 residues pruned to eliminate duplicates Z: 12 19.080 1.951 0.973 0.909 1.000 0.636 CB 1.060 13 residues pruned to eliminate duplicates Z: 12 30.116 2.091 1.249 0.882 1.000 0.636 CB 1.396 12 residues pruned to eliminate duplicates Z: 6 4.031 1.391 0.676 0.596 0.800 0.800 CB 0.882 Z: 42 30.514 2.082 0.859 0.539 0.902 0.561 CB 1.314 42 residues pruned to eliminate duplicates Z: 53 32.644 2.037 0.693 0.572 0.962 0.692 CB 1.274 53 residues pruned to eliminate duplicates Z: 42 25.742 2.005 0.675 0.497 0.878 0.634 CB 1.367 42 residues pruned to eliminate duplicates Z: 14 20.385 1.870 0.763 0.799 0.923 0.769 CB 1.430 14 residues pruned to eliminate duplicates Z: 9 14.184 1.654 0.668 0.867 1.000 0.875 CA 1.330 9 residues pruned to eliminate duplicates Z: 57 30.089 2.025 0.730 0.546 0.857 0.571 CB 1.280 56 residues pruned to eliminate duplicates Z: 17 25.630 1.802 0.992 0.893 1.000 0.500 CB 1.281 17 residues pruned to eliminate duplicates Z: 10 8.745 1.808 0.592 0.584 0.889 0.556 CB 1.051 10 residues pruned to eliminate duplicates Z: 11 4.287 1.868 0.429 0.417 0.700 0.400 CB 0.791 8 residues pruned to eliminate duplicates Z: 21 18.764 1.992 0.426 0.791 0.900 0.850 CB 1.271 21 residues pruned to eliminate duplicates Z: 8 9.703 1.853 0.391 0.779 0.857 0.714 CB 1.298 8 residues pruned to eliminate duplicates Z: 11 16.970 2.015 0.631 0.886 0.900 0.900 CB 1.309 11 residues pruned to eliminate duplicates Z: 18 7.238 1.812 0.573 0.344 0.765 0.471 CB 0.955 18 residues pruned to eliminate duplicates Z: 20 27.227 2.092 0.728 0.723 0.947 0.526 CB 1.492 20 residues pruned to eliminate duplicates Z: 26 29.765 2.186 0.726 0.614 0.960 0.720 CB 1.475 26 residues pruned to eliminate duplicates Z: 15 26.931 1.937 1.054 0.908 1.000 0.714 CB 1.285 15 residues pruned to eliminate duplicates Z: 14 19.480 1.914 0.636 0.915 0.923 0.692 CB 1.321 14 residues pruned to eliminate duplicates Z: 12 10.751 1.840 0.475 0.818 0.909 0.455 CB 0.997 12 residues pruned to eliminate duplicates Z: 18 14.857 2.046 0.354 0.716 0.941 0.882 CB 1.137 18 residues pruned to eliminate duplicates Z: 10 12.072 2.008 0.901 0.648 0.778 0.667 CB 1.180 10 residues pruned to eliminate duplicates Z: 37 28.593 1.986 0.847 0.648 0.861 0.417 CB 1.314 26 residues pruned to eliminate duplicates Z: 19 31.390 2.036 0.841 0.907 1.000 0.778 CB 1.403 19 residues pruned to eliminate duplicates Z: 6 3.454 1.905 0.166 0.584 0.800 0.400 CB 0.801 Z: 13 23.305 1.811 0.724 0.911 1.000 0.833 CA 1.527 13 residues pruned to eliminate duplicates Z: 11 14.445 1.849 0.613 0.757 0.900 0.700 CB 1.354 11 residues pruned to eliminate duplicates Z: 9 6.400 1.726 0.425 0.475 1.000 0.375 CB 0.944 5 residues pruned to eliminate duplicates Z: 15 29.033 2.018 0.794 0.929 1.000 0.929 CB 1.499 15 residues pruned to eliminate duplicates Z: 19 36.953 2.012 0.968 0.920 1.000 0.778 CB 1.549 19 residues pruned to eliminate duplicates Z: 16 26.650 2.066 0.973 0.835 0.933 0.800 CB 1.354 16 residues pruned to eliminate duplicates Z: 7 13.128 1.992 0.629 0.603 1.000 0.833 CB 1.497 14 residues pruned to eliminate duplicates Z: 15 20.233 1.983 0.416 0.901 1.000 0.929 CB 1.375 15 residues pruned to eliminate duplicates Z: 19 30.426 2.018 0.981 0.941 0.944 0.889 CB 1.318 19 residues pruned to eliminate duplicates Z: 11 24.471 1.914 0.858 0.888 0.900 0.700 CB 1.742 11 residues pruned to eliminate duplicates Z: 12 27.752 2.059 0.852 0.867 0.909 0.636 CB 1.766 12 residues pruned to eliminate duplicates Z: 13 27.801 2.096 0.794 0.906 1.000 0.917 CB 1.518 13 residues pruned to eliminate duplicates Z: 8 4.563 1.754 0.953 0.748 0.857 0.857 CB 0.471 Z: 12 19.095 2.016 0.622 0.908 1.000 1.000 CB 1.250 12 residues pruned to eliminate duplicates Z: 46 20.797 2.009 0.464 0.477 0.933 0.733 CB 1.156 46 residues pruned to eliminate duplicates Z: 8 14.797 1.886 0.604 0.806 1.000 1.000 CB 1.416 8 residues pruned to eliminate duplicates Z: 39 12.279 1.752 0.525 0.510 0.789 0.395 CB 0.935 16 residues pruned to eliminate duplicates Z: 23 20.774 1.939 0.504 0.794 0.909 0.773 CB 1.291 23 residues pruned to eliminate duplicates Z: 48 31.087 1.937 0.723 0.607 0.936 0.553 CB 1.311 46 residues pruned to eliminate duplicates Z: 56 32.039 1.970 0.747 0.579 0.945 0.545 CB 1.230 56 residues pruned to eliminate duplicates Z: 7 3.516 1.675 0.357 0.281 0.667 0.500 N 1.214 Z: 15 12.483 1.888 0.498 0.675 0.857 0.643 CB 1.171 15 residues pruned to eliminate duplicates Z: 8 8.972 1.752 0.876 0.504 1.000 0.714 CB 1.027 Z: 30 13.845 1.914 0.558 0.299 0.862 0.517 CB 1.252 30 residues pruned to eliminate duplicates Z: 27 11.363 1.881 0.409 0.424 0.885 0.577 CB 1.029 27 residues pruned to eliminate duplicates Z: 15 23.260 1.922 0.888 0.903 0.929 0.786 CB 1.315 15 residues pruned to eliminate duplicates Z: 13 37.492 2.184 1.188 0.882 1.000 1.000 CB 1.639 13 residues pruned to eliminate duplicates Z: 16 8.105 1.597 0.421 0.419 0.800 0.600 CB 1.255 16 residues pruned to eliminate duplicates Z: 10 14.267 1.903 0.572 0.880 1.000 0.778 CB 1.152 10 residues pruned to eliminate duplicates Z: 19 25.661 1.987 0.706 0.785 1.000 0.556 CB 1.389 19 residues pruned to eliminate duplicates Z: 13 18.077 1.840 0.799 0.711 0.917 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 13 20.093 1.838 0.774 0.897 1.000 0.667 CA 1.273 13 residues pruned to eliminate duplicates Z: 13 19.792 1.784 0.662 0.873 1.000 0.833 CB 1.404 13 residues pruned to eliminate duplicates Z: 8 9.233 1.948 0.376 0.410 1.000 1.000 CB 1.430 Z: 9 13.524 1.637 0.776 0.879 1.000 0.875 N 1.193 9 residues pruned to eliminate duplicates Z: 22 27.361 1.935 0.826 0.847 0.952 0.857 CB 1.317 22 residues pruned to eliminate duplicates Z: 21 22.092 1.842 0.950 0.887 0.800 0.500 CB 1.240 21 residues pruned to eliminate duplicates Z: 39 22.799 1.958 0.557 0.527 0.895 0.658 CB 1.320 39 residues pruned to eliminate duplicates Z: 15 7.715 1.684 0.697 0.726 0.857 0.643 CB 0.687 Z: 12 21.283 1.892 0.733 0.897 1.000 0.636 CB 1.401 12 residues pruned to eliminate duplicates Z: 50 44.623 2.124 0.907 0.685 0.959 0.633 CB 1.385 49 residues pruned to eliminate duplicates Z: 54 31.502 1.983 0.751 0.575 0.906 0.547 CB 1.280 54 residues pruned to eliminate duplicates Z: 37 34.379 2.005 0.849 0.672 0.972 0.667 CB 1.357 37 residues pruned to eliminate duplicates Z: 19 21.043 2.014 0.278 0.926 1.000 0.889 CB 1.351 19 residues pruned to eliminate duplicates Z: 20 19.691 2.050 0.621 0.657 0.895 0.789 CB 1.312 20 residues pruned to eliminate duplicates Z: 41 31.024 2.029 0.905 0.579 0.925 0.550 CB 1.271 41 residues pruned to eliminate duplicates Z: 110 55.073 2.130 0.785 0.532 0.908 0.661 CB 1.480 111 residues pruned to eliminate duplicates Z: 18 20.698 2.017 0.627 0.560 0.941 0.647 CB 1.534 18 residues pruned to eliminate duplicates Z: 16 10.345 2.028 0.372 0.453 0.867 0.667 CB 1.162 18 residues pruned to eliminate duplicates Z: 12 18.906 1.921 0.688 0.918 0.909 0.909 CB 1.363 12 residues pruned to eliminate duplicates Z: 11 5.484 1.805 0.601 0.128 0.700 0.500 CB 1.365 11 residues pruned to eliminate duplicates Z: 22 28.716 2.068 0.627 0.813 0.952 0.762 CB 1.489 22 residues pruned to eliminate duplicates Z: 7 6.858 1.840 0.417 0.457 0.833 0.500 CB 1.346 7 residues pruned to eliminate duplicates Z: 13 5.235 1.678 0.553 0.364 0.667 0.500 CB 1.007 13 residues pruned to eliminate duplicates Z: 9 2.753 1.597 0.239 0.238 0.625 0.250 CB 1.066 Z: 15 19.980 1.757 0.692 0.830 1.000 0.643 CB 1.350 15 residues pruned to eliminate duplicates Z: 18 28.255 2.049 0.665 0.938 1.000 0.941 CB 1.396 18 residues pruned to eliminate duplicates Z: 20 7.487 1.840 0.189 0.331 0.737 0.474 CB 1.282 20 residues pruned to eliminate duplicates Z: 7 2.135 1.606 0.550 0.280 0.833 0.667 CB 0.539 Z: 39 34.259 2.041 0.643 0.680 0.947 0.737 CB 1.482 39 residues pruned to eliminate duplicates Z: 17 31.437 2.023 1.175 0.908 1.000 0.500 CB 1.269 17 residues pruned to eliminate duplicates Z: 17 26.555 1.889 1.083 0.763 0.875 0.688 CB 1.528 17 residues pruned to eliminate duplicates Z: 17 14.975 1.666 0.850 0.851 0.938 0.625 CB 0.959 17 residues pruned to eliminate duplicates Z: 20 20.672 1.957 0.656 0.787 0.895 0.684 CB 1.271 20 residues pruned to eliminate duplicates Z: 14 12.934 1.729 0.655 0.691 0.846 0.615 CB 1.244 14 residues pruned to eliminate duplicates Z: 12 5.667 1.667 0.716 0.358 0.818 0.273 CB 0.851 12 residues pruned to eliminate duplicates Z: 7 6.631 1.819 0.793 0.875 1.000 0.833 CB 0.604 Z: 6 2.830 1.672 0.464 0.848 0.800 0.800 CB 0.480 6 residues pruned to eliminate duplicates Z: 21 21.381 1.983 0.703 0.804 0.900 0.600 CB 1.206 21 residues pruned to eliminate duplicates Z: 6 2.846 1.732 0.155 0.293 0.600 0.400 CB 1.337 4 residues pruned to eliminate duplicates Z: 30 15.190 1.908 0.608 0.370 0.862 0.517 CB 1.225 30 residues pruned to eliminate duplicates Z: 6 6.594 1.706 0.201 0.800 1.000 1.000 N 1.107 6 residues pruned to eliminate duplicates Z: 7 8.280 1.811 0.622 0.733 0.833 0.833 CB 1.120 Z: 9 4.395 1.845 0.305 0.369 0.875 0.750 CB 0.850 9 residues pruned to eliminate duplicates Z: 11 7.340 1.621 0.664 0.500 0.900 0.500 CB 0.955 Z: 76 37.377 2.049 0.748 0.467 0.920 0.653 CB 1.354 70 residues pruned to eliminate duplicates Z: 56 31.797 2.014 0.691 0.533 0.873 0.545 CB 1.397 57 residues pruned to eliminate duplicates Z: 13 29.053 1.943 0.999 0.907 1.000 1.000 CB 1.534 13 residues pruned to eliminate duplicates Z: 14 14.102 1.820 0.449 0.693 0.923 0.692 CB 1.346 14 residues pruned to eliminate duplicates Z: 11 13.556 1.887 0.772 0.810 0.800 0.500 CB 1.223 11 residues pruned to eliminate duplicates Z: 10 12.744 1.883 0.218 0.896 1.000 1.000 CB 1.326 10 residues pruned to eliminate duplicates Z: 66 28.233 2.009 0.588 0.505 0.923 0.677 CB 1.184 77 residues pruned to eliminate duplicates Z: 7 7.192 1.744 0.460 0.709 0.833 0.833 CB 1.145 7 residues pruned to eliminate duplicates Z: 16 17.011 1.981 0.702 0.798 0.867 0.800 CB 1.158 16 residues pruned to eliminate duplicates Z: 18 15.237 1.813 0.491 0.745 0.882 0.706 CB 1.245 18 residues pruned to eliminate duplicates Z: 102 48.100 2.107 0.806 0.503 0.881 0.604 CB 1.423 102 residues pruned to eliminate duplicates Z: 13 12.817 1.844 0.248 0.804 0.917 0.750 CA 1.345 13 residues pruned to eliminate duplicates Z: 12 26.981 2.019 0.921 0.884 0.909 0.636 N 1.668 12 residues pruned to eliminate duplicates Z: 10 2.643 1.682 -0.064 0.295 0.889 0.333 CB 0.792 Z: 19 22.072 1.989 0.387 0.847 1.000 0.722 CB 1.400 19 residues pruned to eliminate duplicates Z: 12 9.036 1.836 0.791 0.275 0.818 0.727 CB 1.307 12 residues pruned to eliminate duplicates Z: 11 7.938 1.631 0.593 0.723 0.900 0.400 CB 0.877 11 residues pruned to eliminate duplicates 7 1.308 1.346 0.993 0.765 0.833 0.667 CB 0.189 ? Z: 13 24.383 1.921 0.838 0.906 1.000 0.917 CB 1.418 13 residues pruned to eliminate duplicates Z: 53 46.788 2.096 0.880 0.664 0.962 0.635 CB 1.472 53 residues pruned to eliminate duplicates Z: 55 24.157 1.954 0.692 0.450 0.852 0.648 CB 1.228 53 residues pruned to eliminate duplicates Z: 53 30.927 2.040 0.674 0.468 0.865 0.577 CB 1.499 53 residues pruned to eliminate duplicates Z: 21 13.668 1.771 0.643 0.729 0.950 0.650 CB 0.899 21 residues pruned to eliminate duplicates Z: 11 33.834 2.180 1.176 0.924 1.000 0.800 CB 1.584 11 residues pruned to eliminate duplicates Z: 10 6.280 1.837 0.398 0.821 1.000 0.444 CB 0.617 Z: 15 19.106 2.036 1.032 0.618 0.786 0.571 CB 1.406 15 residues pruned to eliminate duplicates Z: 8 17.471 1.872 0.772 0.884 1.000 1.000 CB 1.438 8 residues pruned to eliminate duplicates Z: 6 6.135 1.699 0.217 0.676 1.000 0.400 CB 1.128 6 residues pruned to eliminate duplicates Z: 8 5.273 1.984 0.237 0.868 1.000 0.857 CB 0.593 8 residues pruned to eliminate duplicates Z: 11 5.665 1.639 0.240 0.409 0.800 0.400 CB 1.212 11 residues pruned to eliminate duplicates Z: 106 45.349 1.999 0.679 0.556 0.924 0.581 CB 1.352 131 residues pruned to eliminate duplicates Z: 13 20.737 1.811 0.913 0.905 1.000 0.583 CB 1.230 13 residues pruned to eliminate duplicates Z: 7 2.008 1.658 0.081 0.270 0.500 0.500 CB 1.187 Z: 14 18.756 1.875 0.640 0.904 1.000 0.923 CB 1.204 14 residues pruned to eliminate duplicates Z: 18 17.879 1.815 0.612 0.705 0.941 0.588 CB 1.306 18 residues pruned to eliminate duplicates Z: 44 35.112 2.086 0.708 0.636 0.953 0.628 CB 1.388 44 residues pruned to eliminate duplicates Z: 7 8.355 1.647 0.801 0.816 1.000 0.833 CB 0.873 Z: 34 20.825 1.870 0.707 0.547 0.848 0.485 CB 1.278 44 residues pruned to eliminate duplicates Z: 14 26.891 1.849 1.118 0.887 1.000 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 30 26.693 1.942 0.882 0.641 0.862 0.655 CB 1.379 30 residues pruned to eliminate duplicates Z: 6 11.762 1.788 0.831 0.855 1.000 0.600 CB 1.186 6 residues pruned to eliminate duplicates Z: 18 10.548 1.906 0.575 0.491 0.824 0.647 CB 1.044 18 residues pruned to eliminate duplicates Z: 9 4.356 1.708 0.440 0.199 0.875 0.500 CB 1.024 Z: 19 16.044 1.747 0.781 0.556 0.889 0.556 CB 1.295 19 residues pruned to eliminate duplicates Z: 10 3.483 1.737 0.394 0.274 0.889 0.778 CB 0.697 10 residues pruned to eliminate duplicates Z: 16 23.127 1.861 0.706 0.895 1.000 0.733 CB 1.349 16 residues pruned to eliminate duplicates Z: 18 24.006 2.005 0.998 0.897 0.941 0.647 CB 1.105 18 residues pruned to eliminate duplicates Z: 6 4.745 2.018 0.694 0.774 1.000 0.800 CB 0.487 6 residues pruned to eliminate duplicates Z: 13 12.509 1.776 0.645 0.714 0.833 0.333 CB 1.222 13 residues pruned to eliminate duplicates Z: 7 3.521 1.751 0.602 0.541 0.833 0.667 CB 0.591 Z: 11 6.310 1.829 0.517 0.464 0.800 0.600 CB 0.933 11 residues pruned to eliminate duplicates Z: 8 10.212 1.822 0.476 0.723 0.857 0.714 CB 1.369 Z: 25 13.981 1.961 0.679 0.371 0.875 0.417 CB 1.138 25 residues pruned to eliminate duplicates Z: 13 23.027 1.750 1.079 0.847 0.917 0.667 CB 1.480 12 residues pruned to eliminate duplicates Z: 9 9.965 1.878 0.608 0.518 0.750 0.625 CB 1.527 9 residues pruned to eliminate duplicates Z: 31 16.973 1.939 0.535 0.460 0.867 0.667 CB 1.252 31 residues pruned to eliminate duplicates Z: 15 7.066 1.653 0.785 0.331 0.714 0.357 CB 1.078 15 residues pruned to eliminate duplicates Z: 7 4.467 1.647 0.642 0.448 0.833 0.333 CB 0.854 7 residues pruned to eliminate duplicates Z: 20 17.400 1.846 0.839 0.577 0.895 0.632 CB 1.221 20 residues pruned to eliminate duplicates Z: 6 2.317 1.770 -0.003 0.459 0.800 0.600 CB 0.765 Z: 14 25.894 1.815 1.204 0.897 1.000 0.769 CB 1.285 14 residues pruned to eliminate duplicates Z: 14 22.604 1.958 1.004 0.859 0.846 0.615 CB 1.389 14 residues pruned to eliminate duplicates Z: 6 10.678 1.745 0.850 0.846 1.000 0.400 CB 1.099 Z: 13 9.836 1.726 0.426 0.686 0.917 0.750 CB 1.061 13 residues pruned to eliminate duplicates Z: 32 17.848 1.900 0.653 0.451 0.871 0.484 CB 1.231 32 residues pruned to eliminate duplicates Z: 108 43.595 1.981 0.723 0.571 0.907 0.673 CB 1.272 38 residues pruned to eliminate duplicates Z: 77 35.697 2.072 0.720 0.467 0.868 0.579 CB 1.368 77 residues pruned to eliminate duplicates Z: 18 21.430 2.097 0.577 0.733 0.941 0.824 CB 1.355 18 residues pruned to eliminate duplicates Z: 12 3.264 1.916 0.430 0.781 0.818 0.636 CB 0.343 8 residues pruned to eliminate duplicates Z: 10 9.320 1.726 0.269 0.894 0.889 0.778 CB 1.144 10 residues pruned to eliminate duplicates Z: 6 5.165 1.849 0.406 0.625 0.800 0.600 CB 0.987 Z: 15 15.056 2.019 0.815 0.435 0.786 0.500 CB 1.496 16 residues pruned to eliminate duplicates Z: 19 11.668 1.895 0.596 0.415 0.833 0.500 CB 1.192 19 residues pruned to eliminate duplicates Z: 11 11.048 1.835 0.531 0.770 0.900 0.600 CB 1.089 11 residues pruned to eliminate duplicates Z: 44 19.134 1.916 0.629 0.382 0.860 0.674 CB 1.232 38 residues pruned to eliminate duplicates Z: 11 10.580 1.875 0.253 0.803 0.900 0.500 CB 1.214 11 residues pruned to eliminate duplicates Z: 22 20.699 1.936 0.577 0.799 0.857 0.667 CB 1.329 22 residues pruned to eliminate duplicates Z: 8 5.583 1.690 0.358 0.521 0.714 0.571 CB 1.260 Z: 27 28.119 1.952 1.081 0.655 0.923 0.423 CB 1.274 27 residues pruned to eliminate duplicates Z: 37 21.813 1.851 0.693 0.594 0.889 0.583 CB 1.193 37 residues pruned to eliminate duplicates Z: 14 10.740 2.140 0.557 0.312 0.846 0.385 CB 1.301 14 residues pruned to eliminate duplicates Z: 14 11.213 1.822 0.453 0.381 1.000 0.615 CB 1.334 14 residues pruned to eliminate duplicates Z: 7 2.066 1.491 0.034 0.465 0.667 0.500 CB 0.850 Z: 16 21.675 2.021 0.582 0.776 1.000 0.800 CB 1.372 16 residues pruned to eliminate duplicates Z: 10 7.026 1.910 0.430 0.471 0.889 0.667 CB 0.994 9 residues pruned to eliminate duplicates Z: 32 15.231 1.932 0.880 0.378 0.742 0.548 CB 1.157 32 residues pruned to eliminate duplicates Z: 14 22.706 2.019 0.580 0.876 0.923 0.923 CB 1.555 14 residues pruned to eliminate duplicates Z: 49 22.091 1.977 0.678 0.431 0.854 0.583 CB 1.209 49 residues pruned to eliminate duplicates Z: 14 16.571 2.099 0.462 0.605 1.000 0.769 CB 1.354 14 residues pruned to eliminate duplicates Z: 7 3.920 1.573 0.329 0.310 0.833 0.333 CB 1.133 Z: 7 5.421 1.262 1.030 0.574 0.833 0.333 CA 0.965 Z: 46 18.075 1.915 0.523 0.361 0.844 0.622 CB 1.271 46 residues pruned to eliminate duplicates Z: 17 18.557 1.795 0.639 0.750 0.938 0.500 CB 1.346 17 residues pruned to eliminate duplicates Z: 22 9.184 1.831 0.567 0.250 0.762 0.429 CB 1.222 22 residues pruned to eliminate duplicates Z: 19 28.097 1.973 0.957 0.920 1.000 0.722 CB 1.207 19 residues pruned to eliminate duplicates Z: 9 2.580 1.319 0.206 0.299 0.750 0.250 CB 0.957 Z: 55 35.455 2.026 0.845 0.587 0.889 0.593 CB 1.336 55 residues pruned to eliminate duplicates Z: 9 13.462 1.871 0.567 0.759 1.000 0.500 CB 1.290 6 residues pruned to eliminate duplicates Z: 14 9.677 1.799 0.379 0.539 0.923 0.615 CB 1.128 14 residues pruned to eliminate duplicates Z: 7 10.557 1.875 0.828 0.743 1.000 0.500 CB 1.012 7 residues pruned to eliminate duplicates 6 1.288 1.511 0.373 0.282 0.400 0.400 C 0.887 ? Z: 6 14.935 1.924 0.814 0.611 1.000 1.000 CB 1.723 6 residues pruned to eliminate duplicates Z: 22 9.348 1.601 0.559 0.448 0.857 0.524 CB 1.006 Z: 6 5.367 1.766 0.739 0.435 0.800 0.800 CB 1.044 Z: 11 13.532 1.902 0.488 0.807 0.900 0.600 CB 1.285 11 residues pruned to eliminate duplicates Z: 24 30.996 2.163 0.767 0.663 0.957 0.696 CB 1.520 23 residues pruned to eliminate duplicates Z: 6 2.985 1.878 0.115 0.689 1.000 0.600 CB 0.536 6 residues pruned to eliminate duplicates Z: 6 3.036 1.598 0.786 0.280 0.800 0.400 CB 0.763 Z: 6 2.441 1.454 0.196 0.496 0.800 0.400 N 0.788 Z: 7 3.438 1.595 0.406 0.635 0.667 0.500 CB 0.827 Z: 6 2.025 1.155 0.434 0.481 0.800 0.600 CB 0.697 Z: 33 17.125 1.781 0.804 0.480 0.719 0.562 CB 1.337 33 residues pruned to eliminate duplicates Z: 13 17.003 1.839 0.508 0.879 1.000 0.917 CB 1.283 13 residues pruned to eliminate duplicates Z: 29 22.817 1.957 0.782 0.571 0.929 0.679 CB 1.243 26 residues pruned to eliminate duplicates Z: 11 14.275 1.836 0.733 0.850 1.000 0.800 CB 1.051 11 residues pruned to eliminate duplicates Z: 7 7.087 1.832 0.425 0.751 1.000 0.500 CB 0.886 Z: 9 7.356 1.801 0.502 0.614 0.875 0.625 CB 0.986 Z: 7 4.324 1.611 0.748 0.263 0.667 0.333 CB 1.233 Z: 13 19.354 1.582 0.879 0.895 1.000 0.750 CB 1.347 11 residues pruned to eliminate duplicates Z: 25 8.588 1.705 0.652 0.297 0.750 0.375 CB 1.041 25 residues pruned to eliminate duplicates Z: 6 2.679 1.525 0.464 0.326 0.800 0.200 CB 0.812 Z: 54 26.620 1.999 0.644 0.533 0.906 0.642 CB 1.190 54 residues pruned to eliminate duplicates Z: 9 3.810 1.531 0.543 0.207 0.875 0.500 CB 0.921 Z: 48 44.536 2.110 0.834 0.709 0.915 0.702 CB 1.517 48 residues pruned to eliminate duplicates Z: 6 4.050 1.723 0.800 0.634 1.000 0.200 CB 0.515 Z: 12 24.533 1.876 1.103 0.856 0.909 0.455 CB 1.521 12 residues pruned to eliminate duplicates Z: 10 3.123 1.731 0.517 0.265 0.556 0.222 CB 0.933 Z: 10 11.340 1.972 0.485 0.822 0.889 0.667 CB 1.098 10 residues pruned to eliminate duplicates Z: 7 4.459 1.562 0.693 0.320 0.833 0.500 CB 1.008 Z: 12 4.219 1.652 0.099 0.382 0.818 0.545 CB 0.971 Z: 17 31.213 2.186 1.154 0.675 0.938 0.688 CB 1.505 18 residues pruned to eliminate duplicates Z: 11 4.713 1.603 0.357 0.431 0.800 0.400 CB 0.920 Z: 27 20.098 2.055 0.716 0.345 0.962 0.538 CB 1.376 27 residues pruned to eliminate duplicates Z: 21 27.536 1.959 0.866 0.802 0.950 0.700 CB 1.362 21 residues pruned to eliminate duplicates Z: 7 2.989 1.471 0.319 0.482 1.000 0.500 CB 0.641 Z: 8 3.659 1.542 1.099 0.438 0.571 0.429 CB 0.797 Z: 22 24.482 1.990 0.711 0.788 1.000 0.762 CB 1.219 22 residues pruned to eliminate duplicates Z: 16 13.831 1.838 0.485 0.487 0.867 0.467 CB 1.529 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 17 14.534 1.815 0.462 0.622 0.938 0.500 CB 1.302 17 residues pruned to eliminate duplicates Z: 22 15.312 1.981 0.290 0.513 0.905 0.571 CB 1.427 22 residues pruned to eliminate duplicates Z: 14 12.338 1.963 0.303 0.590 0.846 0.615 CB 1.450 14 residues pruned to eliminate duplicates Z: 29 12.619 1.935 0.463 0.536 0.750 0.500 CB 1.085 29 residues pruned to eliminate duplicates Z: 28 15.178 2.034 0.218 0.558 0.889 0.667 CB 1.254 37 residues pruned to eliminate duplicates Z: 12 24.278 1.834 0.745 0.865 1.000 0.818 CB 1.676 12 residues pruned to eliminate duplicates Z: 57 25.865 2.023 0.572 0.470 0.893 0.589 CB 1.254 57 residues pruned to eliminate duplicates Z: 11 15.735 2.108 0.642 0.770 0.800 0.800 CB 1.414 11 residues pruned to eliminate duplicates Z: 66 25.403 1.999 0.580 0.422 0.862 0.569 CB 1.255 66 residues pruned to eliminate duplicates Z: 78 33.023 2.040 0.632 0.511 0.857 0.623 CB 1.304 78 residues pruned to eliminate duplicates Z: 19 15.631 2.053 0.544 0.586 0.944 0.611 CB 1.133 19 residues pruned to eliminate duplicates Z: 19 15.116 2.002 0.576 0.441 0.944 0.667 CB 1.270 19 residues pruned to eliminate duplicates Z: 13 10.016 1.947 0.600 0.367 0.917 0.667 CB 1.168 13 residues pruned to eliminate duplicates Z: 22 14.855 1.988 0.666 0.548 0.810 0.571 CB 1.154 22 residues pruned to eliminate duplicates Z: 23 12.275 1.935 0.500 0.488 0.909 0.773 CB 1.003 23 residues pruned to eliminate duplicates Z: 13 11.302 2.024 0.725 0.411 0.917 0.583 CB 1.119 Z: 8 7.773 1.498 0.929 0.550 1.000 0.857 CB 0.968 8 residues pruned to eliminate duplicates Z: 15 23.146 1.980 0.586 0.755 1.000 0.786 N 1.569 28 residues pruned to eliminate duplicates Z: 28 18.326 2.019 0.558 0.571 0.889 0.741 CB 1.178 28 residues pruned to eliminate duplicates Z: 48 26.205 2.062 0.652 0.454 0.936 0.596 CB 1.256 48 residues pruned to eliminate duplicates Z: 59 22.682 1.993 0.734 0.387 0.793 0.569 CB 1.225 59 residues pruned to eliminate duplicates Z: 51 24.624 1.976 0.684 0.424 0.920 0.640 CB 1.231 51 residues pruned to eliminate duplicates Z: 42 26.389 1.984 0.715 0.473 0.902 0.707 CB 1.379 42 residues pruned to eliminate duplicates Z: 49 21.762 1.994 0.527 0.428 0.917 0.625 CB 1.213 49 residues pruned to eliminate duplicates Z: 31 19.246 2.040 0.745 0.408 0.833 0.633 CB 1.305 31 residues pruned to eliminate duplicates Z: 84 40.661 2.077 0.702 0.524 0.928 0.663 CB 1.329 110 residues pruned to eliminate duplicates Z: 12 19.563 1.919 1.006 0.754 0.818 0.636 CB 1.493 12 residues pruned to eliminate duplicates Z: 45 27.627 2.061 0.811 0.422 0.886 0.636 CB 1.365 45 residues pruned to eliminate duplicates Z: 42 28.657 2.088 0.689 0.456 0.976 0.756 CB 1.361 42 residues pruned to eliminate duplicates Z: 46 25.898 2.059 0.746 0.417 0.889 0.733 CB 1.317 46 residues pruned to eliminate duplicates Z: 48 27.541 2.027 0.736 0.414 0.915 0.660 CB 1.365 48 residues pruned to eliminate duplicates Z: 27 14.855 2.024 0.573 0.326 0.846 0.654 CB 1.308 27 residues pruned to eliminate duplicates Z: 19 16.327 2.063 0.704 0.407 0.833 0.556 CB 1.448 19 residues pruned to eliminate duplicates Z: 52 26.111 2.027 0.798 0.409 0.843 0.706 CB 1.308 52 residues pruned to eliminate duplicates Z: 20 15.386 2.019 0.780 0.355 0.842 0.579 CB 1.363 20 residues pruned to eliminate duplicates Z: 46 27.867 2.066 0.803 0.427 0.911 0.711 CB 1.320 46 residues pruned to eliminate duplicates Z: 72 34.569 2.051 0.731 0.444 0.887 0.704 CB 1.379 72 residues pruned to eliminate duplicates Z: 89 43.548 2.098 0.731 0.522 0.886 0.636 CB 1.411 89 residues pruned to eliminate duplicates Z: 20 18.321 2.008 0.804 0.383 0.842 0.526 CB 1.560 20 residues pruned to eliminate duplicates Z: 38 23.313 2.079 0.612 0.465 0.892 0.703 CB 1.330 38 residues pruned to eliminate duplicates Z: 71 39.675 2.081 0.705 0.525 0.900 0.643 CB 1.449 71 residues pruned to eliminate duplicates Z: 49 25.306 2.051 0.738 0.429 0.875 0.583 CB 1.260 49 residues pruned to eliminate duplicates Z: 29 16.649 1.963 0.686 0.312 0.857 0.571 CB 1.366 29 residues pruned to eliminate duplicates Z: 44 29.946 2.095 0.744 0.444 0.977 0.744 CB 1.355 44 residues pruned to eliminate duplicates Z: 36 18.360 1.847 0.735 0.327 0.886 0.486 CB 1.322 36 residues pruned to eliminate duplicates Z: 48 21.619 1.999 0.741 0.341 0.872 0.468 CB 1.235 48 residues pruned to eliminate duplicates Z: 62 26.140 1.989 0.691 0.399 0.885 0.557 CB 1.250 62 residues pruned to eliminate duplicates Z: 28 15.040 2.008 0.667 0.322 0.852 0.593 CB 1.235 28 residues pruned to eliminate duplicates Z: 28 21.149 2.097 0.729 0.478 0.926 0.667 CB 1.240 28 residues pruned to eliminate duplicates Z: 46 24.327 2.097 0.675 0.453 0.889 0.644 CB 1.218 46 residues pruned to eliminate duplicates Z: 46 29.682 2.091 0.781 0.451 0.933 0.622 CB 1.339 46 residues pruned to eliminate duplicates Z: 67 30.527 2.037 0.691 0.430 0.894 0.621 CB 1.312 67 residues pruned to eliminate duplicates Z: 33 26.649 2.161 0.659 0.505 0.938 0.688 CB 1.394 33 residues pruned to eliminate duplicates Z: 52 30.260 2.079 0.719 0.453 0.902 0.588 CB 1.379 52 residues pruned to eliminate duplicates Z: 50 33.209 2.125 0.772 0.455 0.918 0.571 CB 1.437 50 residues pruned to eliminate duplicates Z: 63 42.096 2.133 0.649 0.591 0.935 0.645 CB 1.489 63 residues pruned to eliminate duplicates Z: 72 35.748 2.098 0.771 0.465 0.873 0.648 CB 1.355 72 residues pruned to eliminate duplicates Z: 43 39.230 2.151 0.584 0.651 1.000 0.833 CB 1.543 43 residues pruned to eliminate duplicates Z: 20 20.314 2.176 0.564 0.531 0.895 0.526 CB 1.484 20 residues pruned to eliminate duplicates Z: 54 34.896 2.111 0.687 0.583 0.868 0.623 CB 1.433 54 residues pruned to eliminate duplicates Z: 60 43.455 2.143 0.668 0.640 0.949 0.644 CB 1.463 60 residues pruned to eliminate duplicates Z: 29 22.879 2.117 0.727 0.509 0.929 0.607 CB 1.263 29 residues pruned to eliminate duplicates Z: 78 36.055 2.099 0.657 0.490 0.883 0.584 CB 1.351 78 residues pruned to eliminate duplicates Z: 65 44.380 2.166 0.681 0.608 0.891 0.625 CB 1.544 65 residues pruned to eliminate duplicates Z: 87 51.215 2.145 0.736 0.583 0.930 0.628 CB 1.471 87 residues pruned to eliminate duplicates Z: 30 26.509 2.112 0.669 0.542 0.897 0.621 CB 1.495 30 residues pruned to eliminate duplicates Z: 94 47.070 2.121 0.625 0.548 0.946 0.602 CB 1.428 94 residues pruned to eliminate duplicates Z: 29 25.291 2.150 0.611 0.573 0.929 0.750 CB 1.385 29 residues pruned to eliminate duplicates Z: 42 42.213 2.199 0.726 0.669 0.951 0.756 CB 1.561 42 residues pruned to eliminate duplicates Z: 31 26.568 2.148 0.661 0.563 0.933 0.700 CB 1.370 31 residues pruned to eliminate duplicates Z: 65 47.743 2.152 0.712 0.607 0.922 0.656 CB 1.587 65 residues pruned to eliminate duplicates Z: 74 40.139 2.110 0.840 0.501 0.904 0.712 CB 1.337 74 residues pruned to eliminate duplicates Z: 43 43.914 2.179 0.777 0.683 0.952 0.833 CB 1.554 43 residues pruned to eliminate duplicates Z: 34 24.620 2.153 0.751 0.482 0.848 0.727 CB 1.364 34 residues pruned to eliminate duplicates Z: 23 30.042 2.229 0.837 0.613 0.864 0.773 CB 1.628 23 residues pruned to eliminate duplicates Z: 83 49.368 2.146 0.728 0.572 0.902 0.659 CB 1.520 83 residues pruned to eliminate duplicates Z: 47 28.430 2.083 0.688 0.484 0.891 0.565 CB 1.359 47 residues pruned to eliminate duplicates Z: 77 51.873 2.136 0.811 0.584 0.908 0.566 CB 1.562 77 residues pruned to eliminate duplicates Z: 119 52.382 2.114 0.786 0.477 0.915 0.644 CB 1.429 119 residues pruned to eliminate duplicates Z: 21 32.937 2.155 0.605 0.817 1.000 0.750 CB 1.617 21 residues pruned to eliminate duplicates Z: 20 29.170 2.188 0.843 0.664 0.947 0.842 CB 1.504 20 residues pruned to eliminate duplicates Z: 42 42.879 2.196 0.841 0.657 0.951 0.707 CB 1.506 42 residues pruned to eliminate duplicates Z: 67 40.739 2.124 0.740 0.565 0.879 0.697 CB 1.450 67 residues pruned to eliminate duplicates Z: 22 33.548 2.159 0.893 0.738 1.000 0.762 CB 1.447 22 residues pruned to eliminate duplicates Z: 82 47.114 2.145 0.806 0.545 0.864 0.605 CB 1.497 82 residues pruned to eliminate duplicates Z: 91 45.729 2.112 0.773 0.508 0.911 0.589 CB 1.402 91 residues pruned to eliminate duplicates Z: 48 42.802 2.181 0.846 0.599 0.936 0.596 CB 1.507 48 residues pruned to eliminate duplicates Z: 46 41.986 2.209 0.875 0.608 0.911 0.644 CB 1.497 46 residues pruned to eliminate duplicates Z: 89 51.516 2.133 0.842 0.549 0.943 0.659 CB 1.412 89 residues pruned to eliminate duplicates Z: 84 50.221 2.153 0.817 0.559 0.904 0.578 CB 1.472 84 residues pruned to eliminate duplicates Z: 63 47.482 2.150 0.870 0.617 0.903 0.661 CB 1.486 63 residues pruned to eliminate duplicates Z: 19 35.925 2.264 1.089 0.711 0.944 0.889 CB 1.566 19 residues pruned to eliminate duplicates Z: 21 33.060 2.181 1.054 0.715 0.900 0.750 CB 1.509 21 residues pruned to eliminate duplicates Z: 93 44.075 2.099 0.805 0.491 0.891 0.620 CB 1.373 93 residues pruned to eliminate duplicates Z: 38 39.797 2.184 0.887 0.625 0.892 0.649 CB 1.582 38 residues pruned to eliminate duplicates Z: 39 49.097 2.178 1.086 0.647 0.947 0.658 CB 1.613 39 residues pruned to eliminate duplicates Z: 52 45.921 2.180 0.893 0.595 0.902 0.647 CB 1.577 52 residues pruned to eliminate duplicates Z: 18 24.145 2.011 1.038 0.624 0.941 0.471 CB 1.351 18 residues pruned to eliminate duplicates Z: 31 27.718 2.072 0.662 0.623 0.867 0.533 CB 1.510 31 residues pruned to eliminate duplicates Z: 128 54.826 2.130 0.823 0.519 0.874 0.614 CB 1.407 137 residues pruned to eliminate duplicates Z: 72 33.538 1.984 0.705 0.514 0.831 0.606 CB 1.397 72 residues pruned to eliminate duplicates Z: 57 36.545 2.086 0.791 0.490 0.857 0.625 CB 1.540 57 residues pruned to eliminate duplicates Z: 83 52.244 2.153 0.879 0.565 0.890 0.659 CB 1.505 83 residues pruned to eliminate duplicates Z: 16 18.230 2.005 0.687 0.576 0.800 0.467 CB 1.617 16 residues pruned to eliminate duplicates Z: 35 27.689 2.078 0.739 0.482 0.882 0.559 CB 1.517 35 residues pruned to eliminate duplicates Z: 41 29.212 2.048 0.739 0.535 0.825 0.500 CB 1.519 41 residues pruned to eliminate duplicates Z: 123 56.436 2.116 0.829 0.535 0.885 0.590 CB 1.442 123 residues pruned to eliminate duplicates Z: 39 32.956 2.088 0.896 0.515 0.842 0.605 CB 1.581 39 residues pruned to eliminate duplicates Z: 22 22.757 2.121 0.803 0.521 0.762 0.524 CB 1.669 22 residues pruned to eliminate duplicates Z: 119 56.473 2.112 0.777 0.495 0.932 0.661 CB 1.493 119 residues pruned to eliminate duplicates Z: 51 45.726 2.169 0.960 0.631 0.920 0.620 CB 1.462 51 residues pruned to eliminate duplicates Z: 17 21.079 2.080 0.678 0.609 0.875 0.688 CB 1.556 17 residues pruned to eliminate duplicates Z: 42 24.809 2.038 0.674 0.433 0.854 0.585 CB 1.427 42 residues pruned to eliminate duplicates Z: 79 51.195 2.154 0.890 0.561 0.872 0.628 CB 1.538 79 residues pruned to eliminate duplicates Z: 33 33.386 2.144 0.728 0.599 0.906 0.531 CB 1.599 33 residues pruned to eliminate duplicates Z: 24 19.822 2.087 0.692 0.460 0.826 0.609 CB 1.477 24 residues pruned to eliminate duplicates Z: 82 54.871 2.174 0.788 0.604 0.914 0.654 CB 1.555 82 residues pruned to eliminate duplicates Z: 33 34.242 2.130 0.933 0.534 0.844 0.594 CB 1.685 33 residues pruned to eliminate duplicates Z: 14 22.077 2.176 0.861 0.560 0.846 0.615 CB 1.687 14 residues pruned to eliminate duplicates Z: 34 40.435 2.165 0.941 0.604 0.939 0.667 CB 1.616 34 residues pruned to eliminate duplicates Z: 57 43.383 2.116 0.957 0.576 0.839 0.607 CB 1.550 57 residues pruned to eliminate duplicates Z: 36 36.611 2.084 0.937 0.643 0.886 0.686 CB 1.515 36 residues pruned to eliminate duplicates Z: 37 31.383 2.058 0.976 0.562 0.806 0.583 CB 1.504 37 residues pruned to eliminate duplicates Z: 34 32.566 2.134 0.778 0.582 0.848 0.667 CB 1.627 34 residues pruned to eliminate duplicates Z: 22 15.804 2.018 0.702 0.492 0.714 0.667 CB 1.417 22 residues pruned to eliminate duplicates Z: 16 18.640 2.007 0.843 0.545 0.800 0.667 CB 1.557 16 residues pruned to eliminate duplicates Z: 15 17.870 2.009 0.722 0.544 0.929 0.643 CB 1.424 15 residues pruned to eliminate duplicates Z: 108 55.596 2.142 0.821 0.524 0.897 0.598 CB 1.501 108 residues pruned to eliminate duplicates Z: 16 20.059 1.992 0.828 0.561 0.867 0.533 N 1.546 16 residues pruned to eliminate duplicates Z: 14 23.727 2.066 0.770 0.671 1.000 0.615 CB 1.537 14 residues pruned to eliminate duplicates Z: 35 21.539 1.972 0.834 0.478 0.824 0.471 CB 1.269 35 residues pruned to eliminate duplicates Z: 16 21.561 1.967 0.904 0.547 0.933 0.600 CB 1.522 16 residues pruned to eliminate duplicates Z: 28 22.031 1.948 0.798 0.486 0.852 0.593 CB 1.442 28 residues pruned to eliminate duplicates Z: 31 19.143 1.914 0.708 0.406 0.867 0.533 CB 1.362 31 residues pruned to eliminate duplicates Z: 27 23.375 1.975 0.864 0.468 0.923 0.577 CB 1.393 27 residues pruned to eliminate duplicates Z: 16 7.907 1.791 0.661 0.183 0.800 0.333 CB 1.256 16 residues pruned to eliminate duplicates Z: 13 11.844 1.768 0.985 0.376 0.833 0.417 CB 1.335 13 residues pruned to eliminate duplicates Z: 14 9.940 1.794 0.682 0.321 0.846 0.462 CB 1.315 14 residues pruned to eliminate duplicates Z: 14 10.659 1.855 0.766 0.307 0.923 0.462 CB 1.211 14 residues pruned to eliminate duplicates Z: 12 13.248 1.908 0.836 0.373 1.000 0.545 CB 1.305 12 residues pruned to eliminate duplicates Z: 16 12.257 1.958 0.788 0.440 0.867 0.533 CB 1.109 16 residues pruned to eliminate duplicates Z: 12 9.339 1.883 0.839 0.403 0.909 0.545 CB 0.991 12 residues pruned to eliminate duplicates Z: 61 26.359 2.012 0.708 0.444 0.817 0.500 CB 1.284 61 residues pruned to eliminate duplicates Z: 21 9.879 1.931 0.541 0.335 0.800 0.400 CB 1.111 21 residues pruned to eliminate duplicates Z: 49 28.985 2.001 0.840 0.502 0.896 0.583 CB 1.266 49 residues pruned to eliminate duplicates Z: 18 13.000 1.979 0.800 0.407 0.824 0.588 CB 1.185 18 residues pruned to eliminate duplicates Z: 22 17.870 1.996 0.983 0.405 0.857 0.524 CB 1.270 22 residues pruned to eliminate duplicates Z: 28 14.379 1.886 0.656 0.405 0.815 0.407 CB 1.201 28 residues pruned to eliminate duplicates Z: 22 15.878 1.992 0.911 0.355 0.905 0.524 CB 1.177 22 residues pruned to eliminate duplicates Z: 21 11.109 1.931 0.645 0.349 0.800 0.450 CB 1.151 21 residues pruned to eliminate duplicates Z: 20 11.627 1.931 0.666 0.378 0.737 0.421 CB 1.281 20 residues pruned to eliminate duplicates Z: 26 8.467 1.840 0.555 0.236 0.720 0.480 CB 1.117 26 residues pruned to eliminate duplicates Z: 24 13.993 1.948 0.649 0.415 0.870 0.391 CB 1.141 24 residues pruned to eliminate duplicates Z: 29 24.237 2.043 0.679 0.637 0.893 0.571 CB 1.316 29 residues pruned to eliminate duplicates Z: 42 23.275 2.017 0.639 0.540 0.902 0.610 CB 1.173 42 residues pruned to eliminate duplicates Z: 41 24.105 2.026 0.650 0.537 0.875 0.625 CB 1.257 41 residues pruned to eliminate duplicates Z: 40 28.521 1.979 0.804 0.579 0.897 0.615 CB 1.320 40 residues pruned to eliminate duplicates Z: 54 28.595 2.006 0.716 0.523 0.887 0.566 CB 1.259 54 residues pruned to eliminate duplicates Z: 51 27.422 2.003 0.652 0.519 0.920 0.700 CB 1.250 51 residues pruned to eliminate duplicates Z: 52 29.834 2.006 0.713 0.545 0.882 0.627 CB 1.319 52 residues pruned to eliminate duplicates Z: 38 28.822 2.031 0.797 0.583 0.946 0.568 CB 1.267 38 residues pruned to eliminate duplicates Z: 54 31.912 2.045 0.764 0.540 0.906 0.623 CB 1.290 54 residues pruned to eliminate duplicates Z: 40 26.184 2.031 0.788 0.563 0.949 0.692 CB 1.144 40 residues pruned to eliminate duplicates Z: 39 25.106 2.047 0.602 0.562 0.947 0.605 CB 1.234 39 residues pruned to eliminate duplicates Z: 40 24.328 2.036 0.710 0.559 0.872 0.641 CB 1.212 40 residues pruned to eliminate duplicates Z: 38 27.925 2.039 0.757 0.568 0.919 0.568 CB 1.306 38 residues pruned to eliminate duplicates Z: 47 24.403 1.983 0.675 0.548 0.826 0.652 CB 1.252 47 residues pruned to eliminate duplicates Z: 88 36.719 2.018 0.751 0.492 0.828 0.575 CB 1.357 88 residues pruned to eliminate duplicates Z: 48 28.998 2.022 0.573 0.554 0.936 0.596 CB 1.347 48 residues pruned to eliminate duplicates Z: 55 34.099 2.021 0.750 0.525 0.926 0.611 CB 1.382 55 residues pruned to eliminate duplicates Z: 34 23.544 2.056 0.632 0.598 0.848 0.576 CB 1.311 34 residues pruned to eliminate duplicates Z: 48 28.135 2.037 0.584 0.530 0.894 0.574 CB 1.381 48 residues pruned to eliminate duplicates Z: 32 22.897 2.021 0.598 0.616 0.935 0.742 CB 1.219 32 residues pruned to eliminate duplicates Z: 56 33.605 1.991 0.856 0.559 0.927 0.636 CB 1.248 56 residues pruned to eliminate duplicates Z: 38 31.608 2.035 0.801 0.634 0.973 0.622 CB 1.285 38 residues pruned to eliminate duplicates Z: 53 31.909 2.059 0.785 0.566 0.865 0.692 CB 1.306 53 residues pruned to eliminate duplicates Z: 55 27.071 1.993 0.705 0.490 0.852 0.537 CB 1.284 55 residues pruned to eliminate duplicates Z: 54 27.900 1.986 0.678 0.528 0.868 0.528 CB 1.288 54 residues pruned to eliminate duplicates Z: 55 32.592 2.018 0.715 0.542 0.926 0.593 CB 1.328 55 residues pruned to eliminate duplicates Z: 57 30.300 1.976 0.769 0.552 0.929 0.607 CB 1.185 57 residues pruned to eliminate duplicates Z: 53 32.431 2.024 0.825 0.545 0.885 0.577 CB 1.317 53 residues pruned to eliminate duplicates Z: 55 35.047 2.025 0.795 0.589 0.944 0.648 CB 1.276 55 residues pruned to eliminate duplicates Z: 44 38.602 2.073 0.837 0.675 0.907 0.698 CB 1.450 44 residues pruned to eliminate duplicates Z: 21 23.326 2.234 0.648 0.588 0.900 0.700 CB 1.447 21 residues pruned to eliminate duplicates Z: 16 28.897 2.286 0.962 0.699 0.867 0.733 CB 1.602 16 residues pruned to eliminate duplicates Z: 44 37.433 2.071 0.699 0.672 0.953 0.698 CB 1.453 44 residues pruned to eliminate duplicates Z: 19 27.649 2.255 0.682 0.641 0.944 0.556 CB 1.594 19 residues pruned to eliminate duplicates Z: 45 43.205 2.091 0.762 0.714 0.955 0.636 CB 1.526 45 residues pruned to eliminate duplicates Z: 21 22.692 2.224 0.748 0.569 0.900 0.550 CB 1.357 21 residues pruned to eliminate duplicates Z: 24 20.555 2.117 0.720 0.493 0.957 0.609 CB 1.239 24 residues pruned to eliminate duplicates Z: 44 46.267 2.120 0.850 0.740 0.953 0.674 CB 1.521 44 residues pruned to eliminate duplicates Z: 18 26.463 2.255 0.656 0.651 0.941 0.706 CB 1.586 18 residues pruned to eliminate duplicates Z: 44 45.289 2.155 0.790 0.718 0.953 0.767 CB 1.542 44 residues pruned to eliminate duplicates Z: 45 36.400 2.044 0.693 0.661 0.932 0.636 CB 1.467 45 residues pruned to eliminate duplicates Z: 39 40.486 2.120 0.871 0.673 0.921 0.553 CB 1.532 39 residues pruned to eliminate duplicates Z: 43 48.680 2.163 0.886 0.727 0.976 0.738 CB 1.538 43 residues pruned to eliminate duplicates Z: 44 48.701 2.134 0.848 0.734 0.977 0.767 CB 1.562 44 residues pruned to eliminate duplicates Z: 20 29.125 2.254 0.728 0.606 0.947 0.737 CB 1.638 20 residues pruned to eliminate duplicates Z: 45 46.741 2.128 0.868 0.710 0.932 0.682 CB 1.571 45 residues pruned to eliminate duplicates Z: 46 42.187 2.094 0.781 0.685 0.933 0.622 CB 1.525 46 residues pruned to eliminate duplicates Z: 25 32.792 2.153 0.880 0.673 0.917 0.625 CB 1.539 25 residues pruned to eliminate duplicates Z: 53 42.374 2.143 0.769 0.637 0.923 0.519 CB 1.478 53 residues pruned to eliminate duplicates Z: 51 44.735 2.142 0.842 0.649 0.940 0.680 CB 1.485 51 residues pruned to eliminate duplicates Z: 52 47.866 2.152 0.810 0.660 0.961 0.647 CB 1.544 52 residues pruned to eliminate duplicates Z: 53 48.357 2.111 0.854 0.694 0.942 0.692 CB 1.523 53 residues pruned to eliminate duplicates Z: 44 49.876 2.173 0.839 0.732 0.977 0.837 CB 1.582 44 residues pruned to eliminate duplicates Z: 27 38.109 2.089 0.896 0.743 1.000 0.769 CB 1.518 27 residues pruned to eliminate duplicates Z: 39 42.581 2.165 0.829 0.706 0.974 0.763 CB 1.485 39 residues pruned to eliminate duplicates Z: 54 40.886 2.098 0.795 0.644 0.943 0.623 CB 1.381 54 residues pruned to eliminate duplicates Z: 53 40.992 2.132 0.789 0.623 0.923 0.635 CB 1.438 53 residues pruned to eliminate duplicates Z: 44 49.555 2.152 0.857 0.740 0.977 0.674 CB 1.562 44 residues pruned to eliminate duplicates Z: 51 40.485 2.045 0.820 0.658 0.940 0.480 CB 1.413 51 residues pruned to eliminate duplicates Z: 45 44.314 2.131 0.838 0.715 0.932 0.614 CB 1.506 45 residues pruned to eliminate duplicates Z: 45 52.724 2.121 0.996 0.726 1.000 0.636 CB 1.530 45 residues pruned to eliminate duplicates Z: 63 42.213 2.045 0.913 0.589 0.903 0.613 CB 1.393 54 residues pruned to eliminate duplicates Z: 20 34.346 2.019 1.005 0.903 1.000 0.895 CB 1.388 22 residues pruned to eliminate duplicates Z: 19 36.970 1.999 1.102 0.913 1.000 0.778 CB 1.468 19 residues pruned to eliminate duplicates Z: 18 38.056 2.034 1.252 0.895 1.000 0.471 CB 1.444 18 residues pruned to eliminate duplicates Z: 20 37.514 2.007 1.104 0.859 1.000 0.895 CB 1.501 20 residues pruned to eliminate duplicates Z: 45 49.512 2.121 1.036 0.688 0.977 0.500 CB 1.488 45 residues pruned to eliminate duplicates Z: 45 47.098 2.126 0.992 0.687 0.932 0.636 CB 1.517 45 residues pruned to eliminate duplicates Z: 47 45.322 2.111 0.906 0.684 0.935 0.565 CB 1.501 47 residues pruned to eliminate duplicates Z: 47 48.131 2.105 0.941 0.698 0.957 0.739 CB 1.516 47 residues pruned to eliminate duplicates Z: 54 45.562 2.100 0.816 0.661 0.962 0.604 CB 1.468 54 residues pruned to eliminate duplicates Z: 53 43.174 2.118 0.923 0.681 0.923 0.615 CB 1.349 53 residues pruned to eliminate duplicates Z: 35 34.625 2.035 0.866 0.707 0.912 0.735 CB 1.420 35 residues pruned to eliminate duplicates Z: 52 41.167 2.094 0.826 0.637 0.922 0.647 CB 1.439 52 residues pruned to eliminate duplicates Z: 34 29.699 1.989 0.802 0.571 0.939 0.545 CB 1.434 34 residues pruned to eliminate duplicates Z: 53 46.556 2.108 0.816 0.677 0.962 0.712 CB 1.490 45 residues pruned to eliminate duplicates Z: 7 3.690 1.469 0.975 0.489 0.833 0.667 CB 0.630 5 residues pruned to eliminate duplicates Z: 6 2.787 1.187 0.836 0.473 0.800 0.800 N 0.735 6 residues pruned to eliminate duplicates Z: 6 4.922 1.625 0.500 0.498 1.000 0.800 CB 0.905 Z: 6 3.650 1.587 0.164 0.472 1.000 0.400 CB 0.909 6 residues pruned to eliminate duplicates Z: 17 15.940 1.924 0.824 0.443 0.812 0.562 CB 1.482 17 residues pruned to eliminate duplicates Z: 18 11.386 1.953 0.458 0.362 0.765 0.471 CB 1.472 18 residues pruned to eliminate duplicates Z: 23 12.864 1.908 0.566 0.359 0.773 0.500 CB 1.383 23 residues pruned to eliminate duplicates Z: 28 15.246 1.908 0.515 0.399 0.889 0.556 CB 1.271 28 residues pruned to eliminate duplicates Z: 19 13.886 1.923 0.584 0.438 0.944 0.667 CB 1.213 19 residues pruned to eliminate duplicates Z: 16 13.340 1.945 0.665 0.461 0.800 0.667 CB 1.382 16 residues pruned to eliminate duplicates Z: 15 19.435 1.996 0.794 0.473 1.000 0.571 CB 1.491 15 residues pruned to eliminate duplicates Z: 29 13.749 1.787 0.577 0.320 0.893 0.464 CB 1.259 29 residues pruned to eliminate duplicates Z: 51 21.066 1.837 0.697 0.390 0.880 0.560 CB 1.220 51 residues pruned to eliminate duplicates Z: 23 12.544 1.889 0.455 0.360 0.818 0.318 CB 1.382 23 residues pruned to eliminate duplicates Z: 27 11.510 1.855 0.519 0.321 0.808 0.423 CB 1.209 27 residues pruned to eliminate duplicates Z: 85 33.756 1.904 0.789 0.511 0.881 0.631 CB 1.214 85 residues pruned to eliminate duplicates Z: 6 6.542 1.854 0.417 0.451 1.000 0.800 CB 1.172 6 residues pruned to eliminate duplicates Z: 107 43.190 1.976 0.728 0.528 0.906 0.642 CB 1.320 107 residues pruned to eliminate duplicates Z: 54 27.604 1.977 0.742 0.474 0.887 0.491 CB 1.275 54 residues pruned to eliminate duplicates Z: 11 5.430 1.823 0.612 0.287 0.800 0.600 CB 0.928 Z: 6 2.300 1.566 1.194 0.113 0.600 0.400 CB 0.814 6 residues pruned to eliminate duplicates Z: 29 25.008 1.922 0.976 0.600 0.786 0.643 CB 1.439 40 residues pruned to eliminate duplicates Z: 19 15.340 1.959 0.807 0.439 0.833 0.500 CB 1.305 19 residues pruned to eliminate duplicates Z: 25 15.820 1.941 0.716 0.436 0.875 0.458 CB 1.183 25 residues pruned to eliminate duplicates Z: 43 20.586 1.933 0.763 0.403 0.833 0.571 CB 1.238 43 residues pruned to eliminate duplicates Z: 25 14.052 1.927 0.604 0.419 0.792 0.625 CB 1.275 25 residues pruned to eliminate duplicates Z: 26 17.968 1.904 0.824 0.430 0.920 0.720 CB 1.209 26 residues pruned to eliminate duplicates Z: 26 18.553 1.937 0.776 0.443 0.880 0.680 CB 1.299 26 residues pruned to eliminate duplicates Z: 26 14.507 1.904 0.519 0.461 0.840 0.680 CB 1.242 26 residues pruned to eliminate duplicates Z: 24 15.753 1.911 0.541 0.486 0.913 0.652 CB 1.239 24 residues pruned to eliminate duplicates Z: 17 15.390 2.004 0.513 0.487 0.938 0.688 CB 1.372 17 residues pruned to eliminate duplicates Z: 40 29.018 2.035 0.667 0.589 0.897 0.615 CB 1.401 40 residues pruned to eliminate duplicates Z: 39 22.117 1.926 0.639 0.477 0.921 0.632 CB 1.262 39 residues pruned to eliminate duplicates Z: 26 16.703 1.866 0.694 0.493 0.880 0.520 CB 1.209 26 residues pruned to eliminate duplicates Z: 52 30.959 2.012 0.837 0.557 0.882 0.627 CB 1.257 52 residues pruned to eliminate duplicates Z: 41 30.769 2.050 0.753 0.594 0.925 0.600 CB 1.338 41 residues pruned to eliminate duplicates Z: 41 33.921 2.084 0.775 0.608 0.950 0.650 CB 1.377 41 residues pruned to eliminate duplicates Z: 39 26.706 2.057 0.726 0.565 0.868 0.605 CB 1.319 39 residues pruned to eliminate duplicates Z: 51 33.365 2.039 0.786 0.557 0.920 0.620 CB 1.332 48 residues pruned to eliminate duplicates Z: 16 33.233 2.036 0.921 0.899 1.000 0.800 CB 1.568 16 residues pruned to eliminate duplicates Z: 47 38.431 2.101 0.898 0.623 0.913 0.652 CB 1.386 47 residues pruned to eliminate duplicates Z: 38 30.385 2.045 0.716 0.648 0.892 0.595 CB 1.390 38 residues pruned to eliminate duplicates Z: 42 33.164 2.035 0.869 0.600 0.927 0.610 CB 1.336 42 residues pruned to eliminate duplicates Z: 70 32.569 1.980 0.668 0.495 0.899 0.551 CB 1.328 73 residues pruned to eliminate duplicates Z: 15 35.226 2.125 1.000 0.939 1.000 0.929 CB 1.540 15 residues pruned to eliminate duplicates Z: 41 33.137 2.056 0.784 0.611 0.950 0.725 CB 1.353 41 residues pruned to eliminate duplicates Z: 42 30.727 2.064 0.804 0.600 0.902 0.585 CB 1.299 42 residues pruned to eliminate duplicates Z: 70 34.353 2.004 0.704 0.514 0.913 0.609 CB 1.308 70 residues pruned to eliminate duplicates Z: 51 37.187 2.070 0.879 0.579 0.920 0.640 CB 1.362 51 residues pruned to eliminate duplicates Z: 70 33.595 2.016 0.697 0.485 0.870 0.580 CB 1.380 70 residues pruned to eliminate duplicates Z: 54 33.978 2.028 0.820 0.597 0.887 0.585 CB 1.300 54 residues pruned to eliminate duplicates Z: 53 37.409 2.049 0.764 0.565 0.942 0.519 CB 1.430 53 residues pruned to eliminate duplicates Z: 51 36.362 2.055 0.815 0.588 0.900 0.660 CB 1.408 51 residues pruned to eliminate duplicates Z: 52 33.813 2.060 0.817 0.567 0.882 0.608 CB 1.343 52 residues pruned to eliminate duplicates Z: 48 37.895 2.076 0.817 0.611 0.894 0.617 CB 1.475 48 residues pruned to eliminate duplicates Z: 72 35.857 2.005 0.702 0.530 0.873 0.592 CB 1.387 70 residues pruned to eliminate duplicates Z: 6 2.848 1.092 0.942 0.290 1.000 0.200 O 0.760 6 residues pruned to eliminate duplicates Z: 54 35.808 2.045 0.793 0.549 0.943 0.642 CB 1.355 54 residues pruned to eliminate duplicates Z: 53 33.997 2.057 0.702 0.581 0.923 0.519 CB 1.350 53 residues pruned to eliminate duplicates Z: 52 38.242 2.081 0.826 0.582 0.922 0.627 CB 1.413 52 residues pruned to eliminate duplicates Z: 27 11.369 1.762 0.489 0.334 0.808 0.462 CB 1.262 27 residues pruned to eliminate duplicates Z: 53 29.724 2.072 0.719 0.549 0.808 0.596 CB 1.365 52 residues pruned to eliminate duplicates Z: 7 3.115 1.396 1.070 0.347 0.667 0.667 CB 0.779 Z: 8 7.159 1.574 0.913 0.483 0.857 0.286 N 1.067 8 residues pruned to eliminate duplicates Z: 20 25.444 2.080 0.733 0.753 0.947 0.789 CB 1.364 27 residues pruned to eliminate duplicates Z: 20 26.121 2.097 0.887 0.714 0.895 0.737 CB 1.394 20 residues pruned to eliminate duplicates Z: 21 26.090 2.065 0.938 0.691 0.900 0.650 CB 1.360 21 residues pruned to eliminate duplicates Z: 19 23.942 2.086 0.861 0.678 0.944 0.722 CB 1.307 19 residues pruned to eliminate duplicates Z: 21 23.564 2.051 0.885 0.680 0.850 0.600 CB 1.359 21 residues pruned to eliminate duplicates Z: 22 24.131 2.027 0.842 0.673 0.952 0.619 CB 1.262 22 residues pruned to eliminate duplicates Z: 38 28.536 1.964 0.741 0.595 0.946 0.649 CB 1.325 38 residues pruned to eliminate duplicates Z: 22 25.509 2.044 0.909 0.657 0.905 0.619 CB 1.363 22 residues pruned to eliminate duplicates Z: 22 21.069 1.977 0.974 0.653 0.952 0.667 CB 1.073 22 residues pruned to eliminate duplicates Z: 20 28.199 2.077 1.071 0.702 0.895 0.684 CB 1.399 20 residues pruned to eliminate duplicates Z: 36 27.084 1.981 0.740 0.619 0.857 0.629 CB 1.385 36 residues pruned to eliminate duplicates Z: 20 26.024 2.079 1.106 0.687 0.842 0.684 CB 1.365 20 residues pruned to eliminate duplicates Z: 20 28.599 2.066 1.194 0.714 0.895 0.789 CB 1.333 20 residues pruned to eliminate duplicates Z: 21 25.931 2.048 1.045 0.693 0.900 0.700 CB 1.290 21 residues pruned to eliminate duplicates Z: 25 22.190 1.923 1.111 0.596 0.833 0.542 CB 1.222 25 residues pruned to eliminate duplicates Z: 39 26.923 1.949 0.767 0.603 0.842 0.632 CB 1.365 39 residues pruned to eliminate duplicates Z: 37 29.413 1.980 0.761 0.601 0.917 0.611 CB 1.393 37 residues pruned to eliminate duplicates Z: 35 27.881 1.976 0.711 0.681 0.941 0.735 CB 1.272 35 residues pruned to eliminate duplicates Z: 37 24.961 1.941 0.774 0.581 0.833 0.500 CB 1.341 37 residues pruned to eliminate duplicates Z: 33 23.921 1.986 0.753 0.669 0.875 0.688 CB 1.187 33 residues pruned to eliminate duplicates Z: 37 32.480 1.959 0.908 0.643 1.000 0.667 CB 1.267 37 residues pruned to eliminate duplicates Z: 33 30.491 2.001 0.852 0.675 0.938 0.625 CB 1.320 33 residues pruned to eliminate duplicates Z: 29 27.607 2.009 0.702 0.675 0.964 0.679 CB 1.347 29 residues pruned to eliminate duplicates Z: 34 26.744 1.975 0.787 0.675 0.970 0.636 CB 1.158 34 residues pruned to eliminate duplicates Z: 35 29.830 1.990 0.738 0.667 0.912 0.735 CB 1.390 35 residues pruned to eliminate duplicates Z: 41 25.076 1.874 0.776 0.607 0.875 0.525 CB 1.230 41 residues pruned to eliminate duplicates Z: 52 30.129 1.930 0.716 0.570 0.941 0.627 CB 1.264 52 residues pruned to eliminate duplicates Z: 37 23.059 1.939 0.739 0.598 0.861 0.583 CB 1.206 37 residues pruned to eliminate duplicates Z: 28 19.481 1.848 0.631 0.561 0.926 0.556 CB 1.266 28 residues pruned to eliminate duplicates Z: 38 31.953 1.920 0.993 0.650 0.946 0.703 CB 1.262 38 residues pruned to eliminate duplicates Z: 42 29.340 1.880 0.910 0.628 0.902 0.659 CB 1.253 42 residues pruned to eliminate duplicates Z: 13 6.465 1.641 0.715 0.344 0.667 0.250 CB 1.178 13 residues pruned to eliminate duplicates Z: 6 7.801 1.585 1.121 0.624 1.000 0.600 N 0.923 Z: 6 4.957 1.611 0.674 0.264 0.800 0.400 N 1.345 6 residues pruned to eliminate duplicates Z: 17 18.588 1.820 0.613 0.651 1.000 0.625 CB 1.375 17 residues pruned to eliminate duplicates Z: 17 15.474 1.834 0.592 0.643 0.938 0.500 CB 1.236 17 residues pruned to eliminate duplicates Z: 10 12.598 1.927 0.374 0.806 0.889 0.667 CB 1.367 10 residues pruned to eliminate duplicates Z: 11 10.825 1.779 0.656 0.400 1.000 0.600 CB 1.291 11 residues pruned to eliminate duplicates Z: 43 28.646 1.926 0.600 0.693 0.881 0.714 CB 1.365 43 residues pruned to eliminate duplicates Z: 19 13.986 1.804 0.612 0.555 0.833 0.611 CB 1.289 19 residues pruned to eliminate duplicates Z: 23 15.963 1.799 0.542 0.589 0.864 0.545 CB 1.304 23 residues pruned to eliminate duplicates Z: 22 17.849 1.853 0.546 0.616 0.905 0.571 CB 1.347 22 residues pruned to eliminate duplicates Z: 22 17.298 1.763 0.597 0.564 1.000 0.429 CB 1.260 22 residues pruned to eliminate duplicates Z: 42 28.505 1.929 0.575 0.662 0.951 0.659 CB 1.326 42 residues pruned to eliminate duplicates Z: 36 25.359 1.917 0.481 0.703 0.914 0.600 CB 1.373 36 residues pruned to eliminate duplicates Z: 34 28.310 1.972 0.677 0.678 0.939 0.758 CB 1.346 34 residues pruned to eliminate duplicates Z: 36 26.580 1.873 0.640 0.661 0.943 0.571 CB 1.336 36 residues pruned to eliminate duplicates Z: 20 19.171 1.742 0.666 0.755 0.947 0.684 CB 1.274 20 residues pruned to eliminate duplicates Z: 23 18.139 1.804 0.614 0.620 0.909 0.591 CB 1.304 23 residues pruned to eliminate duplicates Z: 21 15.369 1.782 0.617 0.557 0.950 0.750 CB 1.189 21 residues pruned to eliminate duplicates Z: 20 14.163 1.686 0.522 0.748 0.842 0.579 CB 1.205 26 residues pruned to eliminate duplicates Z: 38 29.951 1.920 0.615 0.719 0.946 0.730 CB 1.376 38 residues pruned to eliminate duplicates Z: 36 30.599 1.964 0.572 0.724 1.000 0.714 CB 1.369 36 residues pruned to eliminate duplicates Z: 26 25.100 1.947 0.569 0.788 0.960 0.720 CB 1.329 26 residues pruned to eliminate duplicates Z: 22 16.465 1.981 0.449 0.675 0.762 0.524 CB 1.398 22 residues pruned to eliminate duplicates Z: 42 33.577 1.936 0.810 0.674 0.927 0.561 CB 1.376 42 residues pruned to eliminate duplicates Z: 34 29.646 1.942 0.765 0.680 0.970 0.697 CB 1.316 34 residues pruned to eliminate duplicates Z: 19 23.702 1.971 0.736 0.888 0.889 0.833 CB 1.324 19 residues pruned to eliminate duplicates Z: 34 30.274 1.971 0.726 0.710 0.939 0.697 CB 1.363 32 residues pruned to eliminate duplicates Z: 19 27.404 1.986 0.827 0.912 1.000 0.611 CB 1.261 19 residues pruned to eliminate duplicates Z: 33 28.522 1.949 0.753 0.699 0.938 0.562 CB 1.313 33 residues pruned to eliminate duplicates Z: 48 26.128 1.908 0.664 0.608 0.894 0.681 CB 1.212 48 residues pruned to eliminate duplicates Z: 44 30.805 1.923 0.715 0.678 0.907 0.605 CB 1.334 44 residues pruned to eliminate duplicates Z: 42 32.232 1.926 0.799 0.659 0.976 0.634 CB 1.286 42 residues pruned to eliminate duplicates Z: 34 28.142 1.956 0.839 0.638 0.939 0.606 CB 1.273 34 residues pruned to eliminate duplicates Z: 43 29.181 1.909 0.760 0.616 0.929 0.524 CB 1.293 43 residues pruned to eliminate duplicates Z: 41 32.574 1.949 0.777 0.688 0.950 0.525 CB 1.319 41 residues pruned to eliminate duplicates Z: 21 25.200 1.989 0.970 0.794 0.950 0.350 CB 1.170 21 residues pruned to eliminate duplicates Z: 42 32.072 1.923 0.786 0.731 0.951 0.561 CB 1.245 42 residues pruned to eliminate duplicates Z: 20 21.522 1.990 0.834 0.820 0.842 0.368 CB 1.217 20 residues pruned to eliminate duplicates Z: 66 35.946 1.960 0.664 0.647 0.892 0.708 CB 1.335 86 residues pruned to eliminate duplicates Z: 22 18.828 1.983 1.022 0.750 0.810 0.381 CB 1.012 22 residues pruned to eliminate duplicates Z: 17 13.000 1.826 0.677 0.376 0.875 0.438 CB 1.385 17 residues pruned to eliminate duplicates Z: 50 26.782 1.892 0.671 0.536 0.939 0.510 CB 1.244 50 residues pruned to eliminate duplicates Z: 43 26.651 1.948 0.728 0.577 0.905 0.452 CB 1.253 43 residues pruned to eliminate duplicates Z: 34 32.486 2.007 0.829 0.668 0.939 0.545 CB 1.404 34 residues pruned to eliminate duplicates Z: 51 35.488 1.950 0.851 0.648 0.940 0.580 CB 1.288 51 residues pruned to eliminate duplicates Z: 50 38.290 1.982 0.836 0.674 0.980 0.694 CB 1.308 50 residues pruned to eliminate duplicates Z: 6 5.254 1.470 0.508 0.572 0.800 0.600 C 1.235 3 residues pruned to eliminate duplicates Z: 14 13.774 1.847 0.260 0.773 0.923 0.692 CA 1.398 14 residues pruned to eliminate duplicates Z: 46 20.970 1.975 0.576 0.432 0.867 0.689 CB 1.243 52 residues pruned to eliminate duplicates Z: 41 16.328 1.956 0.416 0.386 0.900 0.675 CB 1.169 41 residues pruned to eliminate duplicates Z: 19 13.620 2.014 0.418 0.663 0.944 0.778 CB 1.023 19 residues pruned to eliminate duplicates Z: 64 35.626 1.940 0.678 0.576 0.937 0.698 CB 1.369 63 residues pruned to eliminate duplicates Z: 12 19.059 1.965 0.411 0.879 1.000 0.818 CB 1.503 12 residues pruned to eliminate duplicates Z: 19 14.917 2.010 0.518 0.651 0.944 0.889 CB 1.060 19 residues pruned to eliminate duplicates Z: 19 14.695 2.058 0.369 0.648 0.944 0.889 CB 1.134 19 residues pruned to eliminate duplicates Z: 18 18.434 2.086 0.499 0.668 0.941 0.824 CB 1.301 18 residues pruned to eliminate duplicates Z: 7 3.272 1.596 0.495 0.178 0.667 0.333 CB 1.240 Z: 13 20.367 1.834 0.586 0.880 1.000 0.917 CA 1.464 20 residues pruned to eliminate duplicates Z: 41 19.847 1.875 0.561 0.494 0.875 0.725 CB 1.232 41 residues pruned to eliminate duplicates Z: 42 20.062 1.981 0.545 0.445 0.902 0.707 CB 1.201 42 residues pruned to eliminate duplicates Z: 45 21.555 2.024 0.552 0.468 0.932 0.682 CB 1.147 45 residues pruned to eliminate duplicates Z: 34 19.589 2.004 0.516 0.526 0.909 0.606 CB 1.204 34 residues pruned to eliminate duplicates Z: 30 19.809 2.003 0.599 0.518 0.897 0.690 CB 1.259 30 residues pruned to eliminate duplicates Z: 44 22.051 2.001 0.573 0.446 0.930 0.674 CB 1.214 44 residues pruned to eliminate duplicates Z: 42 22.746 2.024 0.641 0.420 0.927 0.732 CB 1.254 42 residues pruned to eliminate duplicates Z: 43 23.762 2.030 0.692 0.430 0.952 0.690 CB 1.205 43 residues pruned to eliminate duplicates Z: 30 24.899 2.042 0.689 0.490 0.966 0.759 CB 1.402 30 residues pruned to eliminate duplicates Z: 42 23.942 2.009 0.745 0.413 0.902 0.707 CB 1.294 42 residues pruned to eliminate duplicates Z: 29 11.020 1.942 0.279 0.258 0.929 0.607 CB 1.192 29 residues pruned to eliminate duplicates Z: 43 20.934 1.997 0.665 0.430 0.929 0.690 CB 1.124 43 residues pruned to eliminate duplicates Z: 14 13.494 2.037 0.608 0.430 0.923 0.615 CB 1.331 14 residues pruned to eliminate duplicates Z: 43 19.138 1.985 0.548 0.401 0.905 0.643 CB 1.179 43 residues pruned to eliminate duplicates Z: 37 17.531 1.911 0.500 0.439 0.944 0.639 CB 1.149 37 residues pruned to eliminate duplicates Z: 31 15.926 2.002 0.481 0.446 0.900 0.700 CB 1.153 31 residues pruned to eliminate duplicates Z: 18 14.136 1.985 0.666 0.374 0.941 0.588 CB 1.261 18 residues pruned to eliminate duplicates Z: 36 14.898 1.948 0.531 0.330 0.886 0.486 CB 1.149 36 residues pruned to eliminate duplicates Z: 10 7.131 2.008 0.567 0.268 0.778 0.778 CB 1.265 10 residues pruned to eliminate duplicates Z: 48 20.242 1.978 0.696 0.402 0.894 0.660 CB 1.091 48 residues pruned to eliminate duplicates Z: 43 22.578 1.994 0.627 0.394 0.929 0.738 CB 1.293 43 residues pruned to eliminate duplicates Z: 32 18.600 2.008 0.623 0.510 0.935 0.839 CB 1.085 32 residues pruned to eliminate duplicates Z: 41 24.953 2.025 0.605 0.437 0.975 0.800 CB 1.328 41 residues pruned to eliminate duplicates Z: 66 29.833 2.016 0.636 0.502 0.923 0.692 CB 1.214 66 residues pruned to eliminate duplicates Z: 41 20.000 1.965 0.538 0.438 0.900 0.650 CB 1.239 41 residues pruned to eliminate duplicates Z: 17 8.932 2.048 0.348 0.346 0.875 0.688 CB 1.093 17 residues pruned to eliminate duplicates Z: 64 28.369 2.000 0.586 0.498 0.952 0.698 CB 1.185 64 residues pruned to eliminate duplicates Z: 33 17.674 2.026 0.700 0.370 0.906 0.594 CB 1.151 33 residues pruned to eliminate duplicates Z: 46 20.240 1.984 0.489 0.448 0.933 0.622 CB 1.154 46 residues pruned to eliminate duplicates Z: 12 9.042 2.038 0.503 0.494 0.909 0.455 CB 0.986 12 residues pruned to eliminate duplicates Z: 52 21.839 2.035 0.659 0.448 0.882 0.647 CB 1.083 52 residues pruned to eliminate duplicates Z: 50 23.937 1.996 0.630 0.452 0.918 0.673 CB 1.203 50 residues pruned to eliminate duplicates Z: 7 10.111 2.020 0.500 0.544 1.000 0.833 CB 1.305 7 residues pruned to eliminate duplicates Z: 65 30.275 2.006 0.647 0.474 0.938 0.672 CB 1.254 65 residues pruned to eliminate duplicates Z: 33 16.177 2.006 0.481 0.474 0.875 0.688 CB 1.129 33 residues pruned to eliminate duplicates Z: 66 27.550 1.999 0.627 0.486 0.908 0.615 CB 1.174 66 residues pruned to eliminate duplicates Z: 48 19.072 1.956 0.477 0.446 0.915 0.596 CB 1.112 48 residues pruned to eliminate duplicates Z: 65 29.160 2.006 0.610 0.504 0.953 0.688 CB 1.180 65 residues pruned to eliminate duplicates Z: 27 19.295 2.020 0.494 0.577 0.923 0.731 CB 1.262 27 residues pruned to eliminate duplicates Z: 66 27.505 2.005 0.632 0.506 0.892 0.708 CB 1.161 66 residues pruned to eliminate duplicates Z: 34 18.539 1.999 0.584 0.489 0.879 0.636 CB 1.173 34 residues pruned to eliminate duplicates Z: 33 20.492 2.017 0.604 0.508 0.938 0.781 CB 1.185 33 residues pruned to eliminate duplicates Z: 72 29.353 2.004 0.645 0.489 0.915 0.634 CB 1.168 72 residues pruned to eliminate duplicates Z: 35 18.455 1.955 0.668 0.417 0.824 0.588 CB 1.285 30 residues pruned to eliminate duplicates Z: 14 18.872 1.842 0.540 0.827 1.000 0.692 CB 1.391 14 residues pruned to eliminate duplicates Z: 64 29.472 2.006 0.765 0.501 0.937 0.698 CB 1.119 64 residues pruned to eliminate duplicates Z: 47 23.437 1.997 0.620 0.475 0.935 0.717 CB 1.172 47 residues pruned to eliminate duplicates Z: 22 18.308 2.025 0.459 0.635 1.000 0.905 CB 1.191 22 residues pruned to eliminate duplicates 437 residues left after pruning, divided into chains as follows: A: 15 B: 13 C: 181 D: 16 E: 108 F: 104 CC for partial structure against native data = 38.57 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.658, Connect. = 0.741 for dens.mod. cycle 1 = 0.300, Contrast = 0.771, Connect. = 0.772 for dens.mod. cycle 2 = 0.300, Contrast = 0.908, Connect. = 0.793 for dens.mod. cycle 3 = 0.300, Contrast = 0.935, Connect. = 0.796 for dens.mod. cycle 4 = 0.300, Contrast = 0.954, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.960, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.966, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.966, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.967, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.965, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2385 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 507 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 31.612 2.072 0.797 0.846 0.952 0.619 CB 1.445 B: 11 19.824 1.982 0.614 0.830 1.000 0.800 CA 1.473 C: 12 33.100 2.128 1.054 0.901 1.000 0.909 CB 1.631 D: 16 19.181 2.044 0.754 0.484 0.867 0.667 CB 1.621 E: 11 13.004 2.014 0.516 0.718 0.800 0.700 CB 1.383 F: 7 12.670 1.939 0.724 0.672 1.000 0.500 CB 1.320 G: 11 24.382 2.215 1.103 0.825 0.800 0.400 CB 1.562 H: 12 33.378 2.228 0.882 0.900 1.000 1.000 CA 1.715 13 residues pruned to eliminate duplicates I: 12 18.421 2.117 0.816 0.740 0.818 0.545 CB 1.424 11 residues pruned to eliminate duplicates J: 12 18.478 1.970 0.538 0.877 0.909 0.727 CB 1.469 K: 12 19.737 2.105 0.787 0.769 0.818 0.364 CB 1.524 12 residues pruned to eliminate duplicates L: 18 30.389 2.011 0.861 0.894 1.000 0.765 CB 1.412 M: 13 25.658 1.875 0.974 0.792 1.000 0.667 CB 1.548 11 residues pruned to eliminate duplicates N: 12 27.687 2.190 0.732 0.888 1.000 0.909 CB 1.586 11 residues pruned to eliminate duplicates O: 12 22.633 2.116 0.737 0.707 0.909 0.455 CB 1.691 12 residues pruned to eliminate duplicates P: 13 28.671 2.097 0.696 0.919 1.000 0.833 CB 1.640 Q: 12 21.612 2.266 0.605 0.749 0.818 0.727 CB 1.753 15 residues pruned to eliminate duplicates R: 43 23.841 2.033 0.617 0.421 0.929 0.643 CB 1.309 S: 7 12.093 1.773 1.385 0.556 0.833 0.500 CA 1.327 T: 70 37.395 2.045 0.683 0.601 0.870 0.652 CB 1.365 22 residues pruned to eliminate duplicates U: 13 15.508 1.969 0.540 0.666 0.917 0.833 CB 1.382 V: 15 15.517 1.944 0.547 0.685 0.929 0.714 CB 1.253 15 residues pruned to eliminate duplicates W: 8 15.025 2.126 0.878 0.564 0.857 0.429 CB 1.560 X: 18 27.745 2.108 0.695 0.771 1.000 0.706 CB 1.481 20 residues pruned to eliminate duplicates Y: 7 17.619 2.063 0.666 0.757 1.000 0.667 CB 1.664 7 residues pruned to eliminate duplicates Z: 20 24.164 2.007 0.567 0.870 0.947 0.842 CB 1.358 17 residues pruned to eliminate duplicates Z: 12 29.496 2.163 0.717 0.920 1.000 1.000 CA 1.686 12 residues pruned to eliminate duplicates Z: 12 11.232 1.815 0.919 0.348 0.727 0.455 CB 1.576 Z: 77 45.854 2.113 0.893 0.483 0.895 0.566 CB 1.496 61 residues pruned to eliminate duplicates Z: 18 25.253 2.009 0.491 0.914 1.000 0.824 CB 1.445 Z: 7 13.356 1.883 0.842 0.767 1.000 0.833 CB 1.240 7 residues pruned to eliminate duplicates Z: 17 19.728 2.010 0.736 0.549 0.938 0.375 CB 1.437 17 residues pruned to eliminate duplicates Z: 24 31.955 1.977 0.768 0.813 0.957 0.739 CB 1.518 24 residues pruned to eliminate duplicates Z: 14 19.843 1.856 0.639 0.924 0.923 0.923 CB 1.376 13 residues pruned to eliminate duplicates Z: 25 17.126 2.060 0.705 0.341 0.875 0.542 CB 1.353 Z: 13 18.447 1.791 0.684 0.850 0.917 0.667 CA 1.427 Z: 10 2.743 1.641 0.506 0.369 0.667 0.333 CB 0.639 Z: 6 7.136 1.798 0.259 0.741 1.000 0.600 CB 1.136 Z: 11 18.096 1.936 0.647 0.892 1.000 0.900 CB 1.289 11 residues pruned to eliminate duplicates Z: 86 48.507 2.140 0.840 0.517 0.918 0.682 CB 1.432 86 residues pruned to eliminate duplicates Z: 12 34.761 2.249 1.074 0.905 0.909 0.909 CB 1.758 12 residues pruned to eliminate duplicates Z: 20 15.465 1.884 0.799 0.497 0.895 0.632 CB 1.173 23 residues pruned to eliminate duplicates Z: 17 21.577 1.973 0.486 0.885 0.938 0.875 CB 1.417 17 residues pruned to eliminate duplicates Z: 17 28.796 2.027 0.812 0.834 0.938 0.625 CB 1.567 17 residues pruned to eliminate duplicates Z: 18 29.868 2.065 0.970 0.950 1.000 0.765 CB 1.228 18 residues pruned to eliminate duplicates Z: 13 15.435 1.935 0.503 0.805 0.917 0.667 CB 1.280 13 residues pruned to eliminate duplicates Z: 15 23.343 2.129 0.786 0.834 0.857 0.857 CB 1.434 15 residues pruned to eliminate duplicates Z: 21 19.846 2.003 0.787 0.674 0.900 0.850 CB 1.174 21 residues pruned to eliminate duplicates Z: 14 28.900 2.042 1.102 0.829 0.923 0.769 CB 1.523 14 residues pruned to eliminate duplicates Z: 15 23.018 1.973 0.653 0.928 1.000 0.786 CB 1.321 15 residues pruned to eliminate duplicates Z: 16 22.621 1.757 0.674 0.854 1.000 0.800 CB 1.467 16 residues pruned to eliminate duplicates Z: 7 11.832 1.890 0.463 0.775 1.000 0.833 CB 1.371 6 residues pruned to eliminate duplicates Z: 6 14.785 2.095 0.916 0.682 1.000 0.600 CB 1.394 6 residues pruned to eliminate duplicates Z: 13 16.542 1.713 0.887 0.770 0.833 0.667 O 1.396 13 residues pruned to eliminate duplicates Z: 17 28.881 2.005 0.813 0.919 1.000 0.938 CB 1.400 17 residues pruned to eliminate duplicates Z: 45 20.693 1.939 0.621 0.383 0.886 0.659 CB 1.268 45 residues pruned to eliminate duplicates Z: 13 19.011 1.981 0.647 0.880 0.917 0.833 CB 1.330 13 residues pruned to eliminate duplicates Z: 6 3.647 1.710 0.541 0.598 0.800 0.800 CB 0.705 Z: 7 11.663 1.858 0.482 0.814 1.000 1.000 CB 1.316 7 residues pruned to eliminate duplicates Z: 19 32.674 1.991 0.883 0.924 1.000 0.833 CB 1.442 18 residues pruned to eliminate duplicates Z: 24 6.451 1.700 0.416 0.288 0.609 0.304 CB 1.165 24 residues pruned to eliminate duplicates Z: 19 23.969 2.067 0.872 0.634 0.833 0.778 CB 1.545 19 residues pruned to eliminate duplicates Z: 13 24.699 2.043 0.634 0.908 1.000 0.917 N 1.518 13 residues pruned to eliminate duplicates Z: 18 26.086 1.999 0.657 0.926 1.000 1.000 CB 1.339 18 residues pruned to eliminate duplicates Z: 22 19.550 1.947 0.489 0.783 0.905 0.762 CB 1.267 22 residues pruned to eliminate duplicates Z: 52 35.690 2.060 0.827 0.582 0.922 0.627 CB 1.332 52 residues pruned to eliminate duplicates Z: 13 23.319 2.147 0.818 0.697 0.833 0.667 CA 1.729 13 residues pruned to eliminate duplicates Z: 79 54.225 2.182 0.761 0.591 0.923 0.654 CB 1.587 77 residues pruned to eliminate duplicates Z: 82 35.455 1.959 0.722 0.528 0.901 0.667 CB 1.260 39 residues pruned to eliminate duplicates Z: 39 32.777 2.094 0.885 0.514 0.895 0.579 CB 1.485 38 residues pruned to eliminate duplicates Z: 15 21.066 1.901 0.942 0.876 0.857 0.643 CB 1.294 15 residues pruned to eliminate duplicates Z: 15 23.772 1.998 0.600 0.883 1.000 0.714 CB 1.437 15 residues pruned to eliminate duplicates Z: 20 36.588 1.998 1.038 0.921 1.000 0.684 CB 1.451 21 residues pruned to eliminate duplicates Z: 8 6.334 1.831 0.655 0.429 0.714 0.571 O 1.190 Z: 12 20.599 1.861 0.618 0.884 1.000 0.909 CB 1.490 12 residues pruned to eliminate duplicates Z: 20 25.123 1.903 0.766 0.876 1.000 0.789 CB 1.247 20 residues pruned to eliminate duplicates Z: 9 9.156 1.884 0.399 0.635 0.750 0.375 N 1.443 9 residues pruned to eliminate duplicates Z: 7 21.193 2.367 0.647 0.656 1.000 0.500 CB 1.919 7 residues pruned to eliminate duplicates Z: 12 7.135 1.739 0.509 0.407 1.000 0.455 CB 0.904 9 residues pruned to eliminate duplicates Z: 11 32.206 2.210 1.251 0.866 0.900 0.700 CB 1.665 11 residues pruned to eliminate duplicates Z: 9 8.924 1.709 0.393 0.845 1.000 0.625 CB 0.986 Z: 6 5.497 1.630 0.108 0.716 1.000 0.800 CB 1.119 Z: 18 33.503 2.051 1.037 0.920 1.000 1.000 CB 1.369 19 residues pruned to eliminate duplicates Z: 15 19.222 1.802 0.769 0.835 0.929 0.714 CB 1.299 15 residues pruned to eliminate duplicates Z: 12 22.253 2.137 0.720 0.753 0.909 0.545 CB 1.603 12 residues pruned to eliminate duplicates Z: 12 16.776 1.961 0.422 0.867 1.000 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 17 14.114 1.939 0.624 0.526 0.875 0.750 CB 1.247 17 residues pruned to eliminate duplicates Z: 11 19.529 2.207 0.519 0.838 0.800 0.700 CB 1.722 11 residues pruned to eliminate duplicates Z: 23 31.442 2.012 0.771 0.846 0.955 0.727 CB 1.464 23 residues pruned to eliminate duplicates Z: 8 5.509 1.840 0.407 0.462 0.857 0.429 CB 0.975 Z: 33 24.353 2.021 0.901 0.522 0.812 0.594 CB 1.350 33 residues pruned to eliminate duplicates Z: 12 20.419 1.920 0.995 0.717 0.909 0.636 N 1.453 12 residues pruned to eliminate duplicates Z: 19 22.975 1.954 0.464 0.893 1.000 0.833 CB 1.359 19 residues pruned to eliminate duplicates Z: 33 38.234 2.178 0.813 0.613 0.969 0.750 CB 1.587 33 residues pruned to eliminate duplicates Z: 27 15.462 1.909 0.658 0.484 0.846 0.538 CB 1.151 23 residues pruned to eliminate duplicates Z: 22 16.327 1.801 0.627 0.757 0.905 0.762 CB 1.069 Z: 12 18.334 1.838 0.577 0.887 1.000 0.727 CB 1.376 12 residues pruned to eliminate duplicates Z: 11 22.065 2.032 0.805 0.891 1.000 0.900 CB 1.367 11 residues pruned to eliminate duplicates Z: 9 16.041 1.847 0.389 0.912 1.000 1.000 CB 1.565 7 residues pruned to eliminate duplicates Z: 18 19.107 1.920 0.589 0.807 0.941 0.824 CB 1.234 18 residues pruned to eliminate duplicates Z: 13 9.828 1.859 0.675 0.403 0.917 0.667 CB 1.100 14 residues pruned to eliminate duplicates Z: 13 21.947 1.967 0.589 0.893 1.000 0.917 CB 1.455 13 residues pruned to eliminate duplicates Z: 11 18.434 1.743 0.536 0.893 1.000 0.900 CA 1.564 11 residues pruned to eliminate duplicates Z: 98 42.447 1.887 0.832 0.599 0.938 0.495 CB 1.209 108 residues pruned to eliminate duplicates Z: 6 8.018 1.451 0.766 0.770 1.000 0.800 CA 1.101 6 residues pruned to eliminate duplicates Z: 17 29.812 2.050 1.048 0.912 0.938 0.688 CB 1.341 17 residues pruned to eliminate duplicates Z: 21 13.162 1.845 0.614 0.483 0.800 0.550 CB 1.257 21 residues pruned to eliminate duplicates Z: 6 3.673 2.061 0.586 0.861 1.000 1.000 CB 0.369 Z: 14 25.373 2.169 0.476 0.918 1.000 0.923 CB 1.550 14 residues pruned to eliminate duplicates Z: 12 17.400 1.884 0.514 0.849 0.909 0.636 CB 1.499 12 residues pruned to eliminate duplicates Z: 52 20.580 2.018 0.500 0.358 0.843 0.569 CB 1.316 52 residues pruned to eliminate duplicates Z: 84 43.863 2.126 0.710 0.519 0.880 0.590 CB 1.477 84 residues pruned to eliminate duplicates Z: 20 18.567 1.811 0.621 0.729 0.895 0.684 CB 1.320 20 residues pruned to eliminate duplicates Z: 21 22.748 2.065 0.818 0.574 0.950 0.750 CB 1.328 21 residues pruned to eliminate duplicates Z: 13 29.893 2.008 0.955 0.894 1.000 0.750 N 1.577 13 residues pruned to eliminate duplicates Z: 10 13.085 2.094 0.511 0.561 0.889 0.556 CB 1.462 10 residues pruned to eliminate duplicates Z: 13 14.122 1.921 0.273 0.876 0.917 0.833 CB 1.323 13 residues pruned to eliminate duplicates Z: 13 17.868 1.860 0.899 0.933 1.000 0.833 CB 1.019 Z: 19 34.553 2.208 0.974 0.710 0.889 0.500 CB 1.737 18 residues pruned to eliminate duplicates Z: 16 10.391 1.825 0.167 0.878 1.000 0.933 CB 0.914 16 residues pruned to eliminate duplicates Z: 12 25.383 2.130 0.879 0.835 0.909 0.636 CB 1.575 12 residues pruned to eliminate duplicates Z: 10 5.431 1.710 0.769 0.421 0.667 0.556 CB 0.975 Z: 18 26.787 1.998 0.625 0.934 1.000 0.882 CB 1.396 18 residues pruned to eliminate duplicates Z: 7 9.982 1.827 0.607 0.689 0.833 0.667 CB 1.401 Z: 11 15.711 1.974 0.560 0.884 0.800 0.800 CB 1.458 11 residues pruned to eliminate duplicates Z: 19 12.660 1.921 0.358 0.646 0.944 0.778 CB 1.057 19 residues pruned to eliminate duplicates Z: 6 7.162 1.815 0.519 0.455 0.800 0.800 N 1.520 6 residues pruned to eliminate duplicates Z: 6 5.883 1.972 0.347 0.493 0.800 0.800 CB 1.247 Z: 9 15.070 1.901 0.663 0.803 1.000 0.625 CB 1.293 9 residues pruned to eliminate duplicates Z: 15 10.755 1.881 0.389 0.525 0.929 0.643 CB 1.156 Z: 15 29.609 2.117 0.947 0.912 0.929 0.714 CB 1.464 15 residues pruned to eliminate duplicates Z: 15 23.032 1.871 0.693 0.849 1.000 0.643 CB 1.441 15 residues pruned to eliminate duplicates Z: 12 31.368 2.317 0.775 0.783 1.000 0.636 CB 1.792 12 residues pruned to eliminate duplicates Z: 25 19.017 1.969 0.575 0.433 0.875 0.333 CB 1.534 20 residues pruned to eliminate duplicates Z: 26 19.820 1.998 0.563 0.416 1.000 0.640 CB 1.385 26 residues pruned to eliminate duplicates Z: 17 25.180 1.972 0.584 0.910 1.000 0.875 CB 1.429 17 residues pruned to eliminate duplicates Z: 11 27.444 2.072 0.956 0.847 1.000 0.700 CA 1.589 11 residues pruned to eliminate duplicates Z: 7 2.795 1.560 0.043 0.402 0.667 0.667 CB 1.166 7 residues pruned to eliminate duplicates Z: 17 23.332 2.001 0.671 0.861 0.938 0.938 CB 1.368 17 residues pruned to eliminate duplicates Z: 18 17.400 1.970 0.730 0.503 0.765 0.588 CB 1.614 22 residues pruned to eliminate duplicates Z: 17 21.024 1.905 0.770 0.734 0.875 0.625 CB 1.444 17 residues pruned to eliminate duplicates Z: 6 2.287 1.696 0.213 0.369 1.000 0.400 CB 0.572 Z: 52 46.245 2.122 0.887 0.683 0.941 0.686 CB 1.452 50 residues pruned to eliminate duplicates Z: 9 9.417 1.706 0.951 0.481 0.875 0.500 CB 1.165 10 residues pruned to eliminate duplicates Z: 53 45.308 2.101 0.853 0.681 0.962 0.692 CB 1.422 53 residues pruned to eliminate duplicates Z: 13 6.052 1.781 0.685 0.269 0.750 0.417 CB 1.009 13 residues pruned to eliminate duplicates Z: 20 24.775 1.904 0.685 0.892 1.000 0.789 CB 1.273 20 residues pruned to eliminate duplicates Z: 6 5.831 1.745 0.836 0.258 0.800 0.600 CB 1.343 Z: 7 13.756 1.855 0.714 0.777 1.000 0.667 N 1.383 7 residues pruned to eliminate duplicates Z: 8 14.738 1.742 0.597 0.895 1.000 1.000 CA 1.435 8 residues pruned to eliminate duplicates Z: 15 7.157 1.841 0.695 0.490 0.857 0.571 CB 0.722 15 residues pruned to eliminate duplicates Z: 12 13.540 2.023 0.979 0.365 0.818 0.636 CB 1.441 12 residues pruned to eliminate duplicates Z: 12 15.480 1.652 0.395 0.862 1.000 0.727 O 1.487 10 residues pruned to eliminate duplicates Z: 22 17.849 1.848 0.583 0.756 0.857 0.714 CB 1.237 20 residues pruned to eliminate duplicates Z: 22 31.731 2.038 0.820 0.839 0.952 0.714 CB 1.464 22 residues pruned to eliminate duplicates Z: 22 27.621 2.068 0.656 0.820 0.905 0.762 CB 1.473 22 residues pruned to eliminate duplicates Z: 19 22.245 2.183 0.433 0.631 0.944 0.611 CB 1.569 19 residues pruned to eliminate duplicates Z: 13 8.760 1.997 0.489 0.469 0.833 0.667 CB 1.054 13 residues pruned to eliminate duplicates Z: 19 29.419 1.981 0.871 0.916 0.944 0.833 CB 1.400 19 residues pruned to eliminate duplicates Z: 16 29.218 2.041 0.838 0.876 1.000 0.600 CB 1.461 16 residues pruned to eliminate duplicates Z: 7 4.751 1.641 0.820 0.523 0.667 0.667 CB 0.953 Z: 15 18.836 1.943 0.592 0.919 0.929 0.643 CB 1.236 15 residues pruned to eliminate duplicates Z: 35 40.542 2.142 0.795 0.669 0.971 0.735 CB 1.594 36 residues pruned to eliminate duplicates 6 1.255 1.325 0.380 0.293 0.600 0.400 CB 0.645 ? Z: 15 11.267 1.772 0.680 0.710 0.643 0.429 CB 1.301 15 residues pruned to eliminate duplicates Z: 33 16.263 1.968 0.434 0.489 0.938 0.719 CB 1.099 26 residues pruned to eliminate duplicates Z: 13 19.450 1.872 0.444 0.904 1.000 0.833 CB 1.479 13 residues pruned to eliminate duplicates Z: 27 6.019 1.798 0.314 0.258 0.769 0.346 CB 0.857 27 residues pruned to eliminate duplicates Z: 13 24.999 1.788 0.924 0.878 1.000 0.917 CB 1.523 13 residues pruned to eliminate duplicates Z: 14 17.799 1.914 0.907 0.866 0.846 0.615 CB 1.170 14 residues pruned to eliminate duplicates Z: 20 25.722 2.008 0.455 0.942 1.000 1.000 CB 1.401 20 residues pruned to eliminate duplicates Z: 9 14.134 1.649 0.732 0.821 1.000 0.625 N 1.324 9 residues pruned to eliminate duplicates Z: 20 16.092 1.814 0.415 0.732 0.842 0.579 CB 1.387 20 residues pruned to eliminate duplicates Z: 13 17.164 1.901 0.776 0.763 0.833 0.667 CB 1.394 13 residues pruned to eliminate duplicates Z: 13 24.479 1.925 0.907 0.876 0.917 0.917 CB 1.527 13 residues pruned to eliminate duplicates Z: 13 28.421 2.171 0.649 0.903 1.000 0.917 CB 1.633 13 residues pruned to eliminate duplicates Z: 51 27.104 1.899 0.837 0.537 0.880 0.660 CB 1.204 29 residues pruned to eliminate duplicates Z: 13 17.797 1.868 0.546 0.909 1.000 1.000 CB 1.262 13 residues pruned to eliminate duplicates Z: 15 12.579 1.772 0.457 0.916 1.000 0.857 CB 0.920 15 residues pruned to eliminate duplicates Z: 50 22.239 1.958 0.599 0.447 0.898 0.673 CB 1.193 50 residues pruned to eliminate duplicates Z: 14 3.717 1.499 0.712 0.222 0.769 0.308 CB 0.723 Z: 7 4.458 1.755 0.946 0.846 1.000 1.000 CB 0.396 Z: 27 19.051 1.888 0.709 0.560 0.846 0.654 CB 1.290 27 residues pruned to eliminate duplicates Z: 20 12.726 1.946 0.447 0.381 0.947 0.684 CB 1.243 20 residues pruned to eliminate duplicates Z: 10 5.494 1.851 0.881 0.257 0.556 0.222 CB 1.251 Z: 23 20.179 1.842 0.807 0.748 0.909 0.636 CB 1.139 23 residues pruned to eliminate duplicates Z: 6 2.595 1.682 0.823 0.295 0.600 0.400 CB 0.794 Z: 23 10.621 1.937 0.436 0.323 0.909 0.318 CB 1.088 23 residues pruned to eliminate duplicates Z: 16 17.764 1.806 0.592 0.863 1.000 0.733 CB 1.171 16 residues pruned to eliminate duplicates Z: 11 6.291 1.756 0.328 0.302 0.900 0.400 CB 1.182 Z: 53 44.859 2.099 0.838 0.668 0.942 0.635 CB 1.465 53 residues pruned to eliminate duplicates Z: 11 14.408 2.058 0.461 0.913 1.000 0.900 CB 1.073 11 residues pruned to eliminate duplicates Z: 22 18.694 1.885 0.496 0.826 0.952 0.714 CB 1.145 22 residues pruned to eliminate duplicates 7 1.642 1.719 0.325 0.246 0.833 0.500 CB 0.474 ? Z: 20 24.296 2.025 0.946 0.741 1.000 0.737 CB 1.140 20 residues pruned to eliminate duplicates Z: 17 14.304 1.842 0.618 0.817 0.750 0.625 CB 1.215 17 residues pruned to eliminate duplicates Z: 44 17.981 1.933 0.518 0.407 0.884 0.628 CB 1.166 44 residues pruned to eliminate duplicates Z: 26 10.781 1.852 0.390 0.415 0.800 0.560 CB 1.144 26 residues pruned to eliminate duplicates Z: 14 21.814 1.851 0.901 0.930 1.000 0.923 CB 1.202 14 residues pruned to eliminate duplicates Z: 14 13.238 1.842 0.463 0.911 1.000 0.923 CB 0.966 13 residues pruned to eliminate duplicates Z: 19 26.196 1.984 0.693 0.918 1.000 0.833 CB 1.296 19 residues pruned to eliminate duplicates Z: 13 11.866 1.817 0.616 0.889 0.917 0.667 CB 0.916 13 residues pruned to eliminate duplicates Z: 14 21.086 1.946 0.705 0.869 1.000 0.846 CB 1.288 14 residues pruned to eliminate duplicates Z: 17 22.221 1.923 0.475 0.872 1.000 0.812 CB 1.428 17 residues pruned to eliminate duplicates Z: 13 27.267 2.082 0.857 0.939 0.917 0.750 CB 1.544 13 residues pruned to eliminate duplicates Z: 39 26.763 2.031 0.824 0.521 0.868 0.474 CB 1.321 39 residues pruned to eliminate duplicates Z: 31 11.724 1.786 0.489 0.327 0.800 0.500 CB 1.217 31 residues pruned to eliminate duplicates Z: 51 35.391 1.972 0.799 0.664 0.920 0.720 CB 1.317 51 residues pruned to eliminate duplicates Z: 86 51.334 2.128 0.897 0.562 0.882 0.612 CB 1.472 86 residues pruned to eliminate duplicates Z: 35 25.142 1.882 0.815 0.625 0.912 0.676 CB 1.230 34 residues pruned to eliminate duplicates Z: 10 13.050 1.697 0.251 0.851 1.000 0.667 CB 1.517 10 residues pruned to eliminate duplicates Z: 19 30.032 2.041 0.746 0.941 1.000 1.000 CB 1.378 19 residues pruned to eliminate duplicates Z: 16 15.710 1.929 0.544 0.735 0.867 0.667 CB 1.272 16 residues pruned to eliminate duplicates Z: 6 4.830 1.934 0.349 0.465 0.800 0.600 CB 1.072 Z: 22 21.461 1.948 0.597 0.793 0.857 0.619 CB 1.359 22 residues pruned to eliminate duplicates Z: 6 4.516 1.525 0.643 0.677 0.800 0.600 CB 0.856 Z: 6 10.545 2.155 0.663 0.774 1.000 0.600 CB 1.032 6 residues pruned to eliminate duplicates Z: 14 20.207 1.892 0.612 0.902 1.000 0.923 CB 1.311 15 residues pruned to eliminate duplicates Z: 6 4.637 1.475 0.423 0.536 0.800 0.400 O 1.193 Z: 62 30.944 2.055 0.665 0.458 0.951 0.607 CB 1.272 62 residues pruned to eliminate duplicates Z: 11 10.563 1.854 0.345 0.809 1.000 0.700 CB 1.023 11 residues pruned to eliminate duplicates Z: 15 10.610 1.928 0.740 0.371 0.786 0.571 CB 1.235 15 residues pruned to eliminate duplicates Z: 40 31.863 2.076 0.658 0.678 0.923 0.795 CB 1.363 40 residues pruned to eliminate duplicates Z: 52 31.969 2.046 0.754 0.574 0.863 0.471 CB 1.346 52 residues pruned to eliminate duplicates Z: 11 13.613 1.808 0.684 0.841 0.800 0.800 CB 1.317 11 residues pruned to eliminate duplicates Z: 22 29.073 2.059 0.769 0.859 0.952 0.810 CB 1.346 22 residues pruned to eliminate duplicates Z: 11 16.607 1.785 0.507 0.892 0.900 0.900 CB 1.559 11 residues pruned to eliminate duplicates Z: 7 15.019 1.858 0.644 0.829 1.000 1.000 N 1.510 7 residues pruned to eliminate duplicates Z: 10 22.790 2.073 0.879 0.831 0.889 0.556 CB 1.649 10 residues pruned to eliminate duplicates Z: 16 18.705 1.858 0.496 0.909 1.000 1.000 CB 1.234 16 residues pruned to eliminate duplicates Z: 17 10.883 1.860 0.642 0.313 0.812 0.438 CB 1.349 17 residues pruned to eliminate duplicates Z: 6 6.316 1.495 1.182 0.294 1.000 0.600 CA 1.089 Z: 17 16.866 1.828 0.644 0.781 0.875 0.688 CB 1.252 17 residues pruned to eliminate duplicates Z: 19 21.328 1.874 0.807 0.830 0.889 0.833 CB 1.255 19 residues pruned to eliminate duplicates Z: 15 4.105 1.575 0.511 0.235 0.643 0.214 CB 0.975 15 residues pruned to eliminate duplicates Z: 7 2.466 1.503 0.327 0.325 0.667 0.333 N 0.917 Z: 19 24.308 2.000 0.699 0.873 0.889 0.833 CB 1.382 19 residues pruned to eliminate duplicates Z: 12 16.405 1.688 0.566 0.864 1.000 0.818 O 1.371 12 residues pruned to eliminate duplicates Z: 9 8.605 1.758 0.415 0.648 0.875 0.625 CB 1.217 9 residues pruned to eliminate duplicates Z: 10 9.020 1.888 0.284 0.834 1.000 0.667 CB 0.930 10 residues pruned to eliminate duplicates Z: 7 14.068 1.802 0.814 0.826 1.000 0.667 N 1.325 7 residues pruned to eliminate duplicates Z: 14 14.784 1.865 0.503 0.927 1.000 0.923 CB 1.025 13 residues pruned to eliminate duplicates Z: 18 17.816 1.881 0.490 0.749 0.882 0.588 CB 1.398 18 residues pruned to eliminate duplicates Z: 16 20.141 1.939 0.652 0.877 0.933 0.800 CB 1.264 16 residues pruned to eliminate duplicates Z: 20 19.885 1.908 0.642 0.755 0.895 0.526 CB 1.296 20 residues pruned to eliminate duplicates Z: 12 15.991 1.859 0.637 0.806 1.000 0.727 CB 1.213 12 residues pruned to eliminate duplicates Z: 26 13.845 1.892 0.582 0.391 0.800 0.520 CB 1.298 24 residues pruned to eliminate duplicates Z: 9 11.628 1.847 0.588 0.820 0.875 0.500 CB 1.213 9 residues pruned to eliminate duplicates Z: 22 29.444 2.083 0.697 0.804 0.952 0.762 CB 1.463 22 residues pruned to eliminate duplicates Z: 7 3.159 1.746 1.069 0.462 1.000 0.667 CB 0.371 Z: 8 10.699 1.622 0.483 0.902 1.000 0.857 N 1.199 8 residues pruned to eliminate duplicates Z: 94 54.196 2.089 0.945 0.568 0.925 0.570 CB 1.400 94 residues pruned to eliminate duplicates Z: 13 26.117 1.922 0.891 0.924 1.000 0.917 CB 1.457 13 residues pruned to eliminate duplicates Z: 29 17.282 1.944 0.508 0.560 0.929 0.750 CB 1.132 28 residues pruned to eliminate duplicates Z: 8 12.872 1.772 0.435 0.847 1.000 1.000 CB 1.421 8 residues pruned to eliminate duplicates Z: 12 12.662 1.830 0.437 0.787 1.000 0.818 CB 1.128 12 residues pruned to eliminate duplicates Z: 20 26.379 1.925 1.106 0.889 0.842 0.526 CB 1.276 20 residues pruned to eliminate duplicates Z: 85 42.119 2.092 0.653 0.527 0.881 0.619 CB 1.468 85 residues pruned to eliminate duplicates Z: 28 26.206 2.057 0.801 0.546 0.852 0.593 CB 1.528 28 residues pruned to eliminate duplicates Z: 7 2.903 1.703 0.222 0.270 0.833 0.667 CB 0.888 Z: 19 14.398 1.809 0.598 0.766 0.778 0.444 CB 1.192 19 residues pruned to eliminate duplicates Z: 10 14.700 1.778 1.023 0.619 0.889 0.778 N 1.370 10 residues pruned to eliminate duplicates Z: 45 24.119 1.917 0.776 0.445 0.909 0.545 CB 1.243 56 residues pruned to eliminate duplicates Z: 37 37.663 2.156 0.670 0.677 0.972 0.639 CB 1.524 37 residues pruned to eliminate duplicates Z: 11 8.992 1.810 0.878 0.516 0.800 0.700 CB 1.029 11 residues pruned to eliminate duplicates Z: 10 2.964 1.802 0.645 0.223 0.444 0.333 CB 1.037 10 residues pruned to eliminate duplicates Z: 12 17.452 1.915 0.611 0.759 0.909 0.636 CB 1.490 12 residues pruned to eliminate duplicates Z: 24 21.092 1.976 0.830 0.527 0.783 0.522 CB 1.513 24 residues pruned to eliminate duplicates Z: 74 36.226 1.993 0.654 0.579 0.932 0.575 CB 1.281 74 residues pruned to eliminate duplicates Z: 8 8.765 1.442 0.663 0.569 1.000 0.571 N 1.292 8 residues pruned to eliminate duplicates Z: 14 22.252 1.809 1.027 0.901 1.000 0.769 CB 1.201 14 residues pruned to eliminate duplicates Z: 15 24.163 1.797 0.904 0.873 1.000 0.714 CB 1.374 15 residues pruned to eliminate duplicates Z: 55 27.864 1.892 0.785 0.549 0.907 0.537 CB 1.180 55 residues pruned to eliminate duplicates Z: 28 15.943 1.980 0.618 0.435 0.815 0.667 CB 1.257 28 residues pruned to eliminate duplicates Z: 46 21.275 1.964 0.384 0.534 0.867 0.533 CB 1.302 46 residues pruned to eliminate duplicates Z: 23 31.738 1.994 0.797 0.844 1.000 0.818 CB 1.405 23 residues pruned to eliminate duplicates Z: 12 20.211 2.068 0.599 0.808 0.909 0.727 N 1.550 12 residues pruned to eliminate duplicates Z: 6 4.247 1.662 0.993 0.836 1.000 0.800 CB 0.429 Z: 45 28.293 1.935 0.746 0.580 0.977 0.614 CB 1.197 45 residues pruned to eliminate duplicates Z: 21 21.252 1.887 0.656 0.817 1.000 0.850 CB 1.155 21 residues pruned to eliminate duplicates Z: 9 4.350 1.678 0.442 0.323 0.750 0.500 N 1.030 9 residues pruned to eliminate duplicates Z: 10 16.674 1.896 0.473 0.918 1.000 1.000 CB 1.404 10 residues pruned to eliminate duplicates Z: 12 10.260 1.788 0.662 0.733 0.818 0.727 CB 1.032 12 residues pruned to eliminate duplicates Z: 14 4.665 1.579 0.437 0.314 0.769 0.385 CB 0.911 Z: 17 24.204 1.981 0.842 0.858 0.875 0.750 CB 1.396 17 residues pruned to eliminate duplicates Z: 19 27.287 1.906 1.248 0.890 1.000 0.611 CB 1.080 19 residues pruned to eliminate duplicates Z: 22 10.233 1.824 0.708 0.391 0.857 0.619 CB 0.939 22 residues pruned to eliminate duplicates Z: 27 17.888 2.053 0.534 0.372 0.923 0.577 CB 1.383 27 residues pruned to eliminate duplicates Z: 29 20.460 1.953 0.655 0.457 0.964 0.571 CB 1.297 29 residues pruned to eliminate duplicates Z: 11 11.861 1.992 0.580 0.892 1.000 1.000 CB 0.856 11 residues pruned to eliminate duplicates Z: 11 15.197 1.895 0.705 0.899 0.900 0.900 CB 1.181 11 residues pruned to eliminate duplicates Z: 17 15.143 1.796 0.830 0.518 0.938 0.438 CB 1.207 17 residues pruned to eliminate duplicates Z: 12 11.401 1.865 0.244 0.788 0.909 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 8 2.923 1.609 0.126 0.333 0.571 0.429 O 1.280 Z: 12 7.067 1.714 0.529 0.436 0.909 0.545 CB 0.955 12 residues pruned to eliminate duplicates Z: 7 9.766 1.638 1.078 0.554 1.000 0.167 CB 1.111 Z: 10 3.822 1.605 0.734 0.808 0.889 0.889 CB 0.394 Z: 20 15.342 1.982 0.519 0.485 0.842 0.632 CB 1.409 20 residues pruned to eliminate duplicates Z: 6 10.612 1.958 0.832 0.849 1.000 0.800 CB 0.981 6 residues pruned to eliminate duplicates Z: 12 10.458 1.831 0.250 0.753 1.000 0.818 CB 1.100 12 residues pruned to eliminate duplicates Z: 36 23.729 2.096 0.662 0.480 0.886 0.714 CB 1.327 36 residues pruned to eliminate duplicates Z: 7 4.936 1.717 0.146 0.351 0.833 0.500 O 1.443 Z: 12 4.921 1.606 0.460 0.211 0.818 0.364 CB 1.088 12 residues pruned to eliminate duplicates Z: 12 28.521 2.027 0.907 0.905 1.000 0.727 CB 1.584 12 residues pruned to eliminate duplicates Z: 22 14.642 1.806 0.496 0.740 0.857 0.476 CB 1.113 22 residues pruned to eliminate duplicates Z: 44 23.378 2.006 0.772 0.419 0.860 0.558 CB 1.268 44 residues pruned to eliminate duplicates Z: 14 15.295 1.827 0.683 0.878 1.000 0.923 CB 1.001 14 residues pruned to eliminate duplicates Z: 12 17.364 1.969 0.906 0.649 0.818 0.545 CB 1.484 12 residues pruned to eliminate duplicates Z: 8 7.018 1.721 0.760 0.525 0.857 0.571 CB 0.997 Z: 12 6.281 1.887 0.630 0.771 0.818 0.545 CB 0.592 Z: 29 25.755 2.071 0.793 0.522 0.857 0.643 CB 1.496 29 residues pruned to eliminate duplicates Z: 57 50.264 2.153 0.836 0.645 0.964 0.661 CB 1.540 57 residues pruned to eliminate duplicates Z: 13 13.791 1.807 0.495 0.771 0.917 0.583 CB 1.265 13 residues pruned to eliminate duplicates Z: 37 13.854 1.826 0.685 0.329 0.778 0.472 CB 1.164 37 residues pruned to eliminate duplicates Z: 6 3.601 1.800 0.317 0.394 0.800 0.400 CB 0.949 Z: 14 16.601 1.756 0.730 0.799 0.923 0.692 CB 1.264 14 residues pruned to eliminate duplicates Z: 10 25.003 2.079 0.858 0.808 1.000 0.889 CB 1.651 10 residues pruned to eliminate duplicates Z: 14 16.524 1.882 0.816 0.915 0.923 0.923 CB 1.027 15 residues pruned to eliminate duplicates Z: 9 14.154 1.816 0.638 0.802 0.875 0.750 CB 1.477 9 residues pruned to eliminate duplicates Z: 14 10.227 1.957 0.470 0.364 0.846 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 9 6.060 1.629 0.698 0.367 0.750 0.375 N 1.191 Z: 23 13.208 1.772 0.378 0.710 0.864 0.773 CB 1.103 23 residues pruned to eliminate duplicates Z: 45 23.608 1.919 0.531 0.443 0.955 0.636 CB 1.345 45 residues pruned to eliminate duplicates Z: 47 22.714 1.893 0.639 0.482 0.891 0.565 CB 1.234 47 residues pruned to eliminate duplicates Z: 47 28.903 1.895 0.775 0.634 0.848 0.413 CB 1.318 47 residues pruned to eliminate duplicates Z: 6 3.436 1.680 0.310 0.280 0.800 0.600 CB 1.120 Z: 20 31.283 1.967 1.144 0.894 1.000 0.684 CB 1.221 20 residues pruned to eliminate duplicates Z: 10 13.507 1.724 0.771 0.773 1.000 0.556 CB 1.158 10 residues pruned to eliminate duplicates Z: 16 18.653 1.867 0.668 0.778 0.933 0.800 CB 1.296 16 residues pruned to eliminate duplicates Z: 47 30.907 2.012 0.560 0.579 0.935 0.717 CB 1.440 47 residues pruned to eliminate duplicates Z: 8 3.392 1.735 0.413 0.260 0.714 0.571 CB 0.963 Z: 29 22.988 1.917 0.677 0.632 0.893 0.607 CB 1.336 29 residues pruned to eliminate duplicates Z: 18 17.133 2.003 0.314 0.749 0.882 0.706 CB 1.432 18 residues pruned to eliminate duplicates Z: 8 5.041 1.553 0.438 0.721 0.857 0.714 CB 0.815 Z: 14 17.871 1.601 0.894 0.831 0.923 0.692 N 1.329 14 residues pruned to eliminate duplicates Z: 47 25.529 1.906 0.668 0.531 0.870 0.565 CB 1.320 47 residues pruned to eliminate duplicates Z: 29 15.207 1.904 0.714 0.439 0.821 0.607 CB 1.142 29 residues pruned to eliminate duplicates Z: 12 18.769 1.831 1.007 0.906 1.000 0.727 CB 1.095 12 residues pruned to eliminate duplicates Z: 14 6.592 1.915 0.202 0.427 0.769 0.615 CB 1.114 14 residues pruned to eliminate duplicates Z: 39 30.747 2.038 0.709 0.637 0.895 0.684 CB 1.408 39 residues pruned to eliminate duplicates Z: 37 23.327 1.893 0.610 0.574 0.917 0.583 CB 1.296 37 residues pruned to eliminate duplicates Z: 6 7.389 1.708 0.453 0.756 0.800 0.800 CA 1.326 6 residues pruned to eliminate duplicates Z: 7 13.298 1.803 0.909 0.659 1.000 0.833 CB 1.360 7 residues pruned to eliminate duplicates Z: 17 9.570 1.677 0.505 0.511 1.000 0.500 CB 0.938 14 residues pruned to eliminate duplicates Z: 9 9.938 1.904 0.489 0.392 1.000 0.750 CB 1.390 9 residues pruned to eliminate duplicates Z: 7 6.374 1.648 0.301 0.604 0.833 0.833 CB 1.319 6 1.685 1.443 0.417 0.156 0.600 0.400 CB 0.936 ? Z: 13 16.262 1.918 0.803 0.888 0.917 0.667 CB 1.067 13 residues pruned to eliminate duplicates Z: 6 4.122 1.531 0.470 0.803 1.000 0.800 CB 0.628 Z: 31 15.893 1.813 0.744 0.581 0.800 0.500 CB 1.061 31 residues pruned to eliminate duplicates Z: 83 42.892 2.124 0.708 0.528 0.927 0.695 CB 1.370 83 residues pruned to eliminate duplicates Z: 8 5.865 1.409 0.392 0.556 0.857 0.429 N 1.248 8 residues pruned to eliminate duplicates Z: 13 28.972 2.036 0.872 0.910 1.000 0.917 CB 1.557 13 residues pruned to eliminate duplicates Z: 23 17.198 1.989 0.483 0.638 0.955 0.818 CB 1.145 23 residues pruned to eliminate duplicates Z: 7 3.713 1.632 0.194 0.440 0.667 0.333 N 1.241 Z: 28 24.516 1.946 0.718 0.676 0.963 0.778 CB 1.246 36 residues pruned to eliminate duplicates Z: 17 12.017 1.785 0.582 0.510 0.938 0.625 CB 1.123 17 residues pruned to eliminate duplicates Z: 6 6.742 1.354 1.032 0.833 1.000 1.000 CA 0.822 6 residues pruned to eliminate duplicates Z: 6 5.027 1.925 0.665 0.283 0.600 0.600 CB 1.493 6 residues pruned to eliminate duplicates Z: 14 17.444 1.803 0.663 0.597 1.000 0.538 N 1.472 14 residues pruned to eliminate duplicates Z: 16 11.958 1.671 0.630 0.687 0.867 0.667 CB 1.102 16 residues pruned to eliminate duplicates Z: 12 15.212 1.635 0.729 0.822 1.000 0.636 CB 1.227 12 residues pruned to eliminate duplicates Z: 18 33.011 2.029 1.065 0.926 1.000 0.647 CB 1.340 18 residues pruned to eliminate duplicates Z: 22 14.303 1.973 0.461 0.351 0.952 0.619 CB 1.336 22 residues pruned to eliminate duplicates Z: 54 25.734 2.003 0.652 0.395 0.943 0.679 CB 1.265 54 residues pruned to eliminate duplicates Z: 54 29.354 1.955 0.737 0.605 0.906 0.585 CB 1.187 54 residues pruned to eliminate duplicates Z: 43 24.714 2.076 0.634 0.439 0.952 0.643 CB 1.257 43 residues pruned to eliminate duplicates Z: 14 19.891 2.103 0.949 0.677 0.846 0.615 CB 1.352 14 residues pruned to eliminate duplicates Z: 19 29.271 2.000 0.908 0.918 1.000 0.778 CB 1.275 19 residues pruned to eliminate duplicates Z: 6 2.684 1.669 0.573 0.521 0.800 0.800 CB 0.560 Z: 87 41.183 2.115 0.770 0.489 0.860 0.512 CB 1.394 87 residues pruned to eliminate duplicates 7 1.525 1.421 0.586 0.579 0.833 0.833 CB 0.307 ? Z: 16 17.830 1.746 0.685 0.790 1.000 0.600 CB 1.213 17 residues pruned to eliminate duplicates Z: 14 11.682 1.938 0.589 0.378 0.769 0.538 CB 1.558 14 residues pruned to eliminate duplicates Z: 7 2.306 1.499 0.473 0.788 0.833 0.667 CB 0.397 Z: 63 46.787 2.129 0.766 0.587 0.935 0.661 CB 1.554 63 residues pruned to eliminate duplicates Z: 9 6.057 1.644 0.421 0.433 0.750 0.625 CA 1.311 9 residues pruned to eliminate duplicates Z: 35 29.299 2.062 0.736 0.636 0.912 0.588 CB 1.355 35 residues pruned to eliminate duplicates Z: 7 11.274 1.958 0.866 0.794 1.000 0.333 N 0.974 7 residues pruned to eliminate duplicates Z: 8 4.302 1.637 0.438 0.573 0.714 0.714 N 0.901 Using tripeptides from previous cycle as seeds Z: 6 6.830 1.672 0.554 0.678 0.800 0.400 CB 1.247 Z: 11 4.558 1.541 0.721 0.625 0.800 0.600 CB 0.604 6 residues pruned to eliminate duplicates Z: 6 5.454 1.591 1.013 0.779 0.800 0.600 CB 0.744 5 residues pruned to eliminate duplicates Z: 7 3.615 1.767 0.689 0.770 0.833 0.500 CB 0.467 5 residues pruned to eliminate duplicates Z: 6 4.602 1.782 0.510 0.826 1.000 0.800 CB 0.577 5 residues pruned to eliminate duplicates Z: 6 5.648 1.826 0.881 0.840 1.000 1.000 CB 0.549 6 residues pruned to eliminate duplicates Z: 14 11.636 1.797 0.378 0.711 0.846 0.538 CB 1.272 14 residues pruned to eliminate duplicates Z: 61 38.474 1.944 0.828 0.662 0.933 0.567 CB 1.289 68 residues pruned to eliminate duplicates Z: 13 18.113 1.827 0.386 0.858 1.000 0.750 CB 1.520 13 residues pruned to eliminate duplicates Z: 12 12.087 1.967 0.575 0.704 0.909 0.545 CB 1.074 12 residues pruned to eliminate duplicates Z: 11 18.948 2.015 0.734 0.751 0.900 0.700 CB 1.523 11 residues pruned to eliminate duplicates Z: 18 13.529 1.865 0.787 0.577 0.647 0.471 CB 1.413 18 residues pruned to eliminate duplicates Z: 24 16.160 1.882 0.630 0.481 0.913 0.739 CB 1.226 23 residues pruned to eliminate duplicates Z: 12 21.727 1.839 0.922 0.881 0.909 0.818 CB 1.477 12 residues pruned to eliminate duplicates Z: 24 14.926 1.873 0.480 0.473 0.957 0.652 CB 1.207 24 residues pruned to eliminate duplicates Z: 12 14.994 2.000 0.771 0.737 0.818 0.818 CB 1.262 12 residues pruned to eliminate duplicates Z: 13 16.296 1.860 0.663 0.735 0.917 0.667 CB 1.344 13 residues pruned to eliminate duplicates Z: 91 50.112 2.090 0.773 0.609 0.900 0.656 CB 1.429 91 residues pruned to eliminate duplicates Z: 37 42.436 2.200 0.844 0.669 0.917 0.750 CB 1.627 37 residues pruned to eliminate duplicates Z: 45 42.273 2.112 0.766 0.725 0.932 0.705 CB 1.496 45 residues pruned to eliminate duplicates Z: 31 31.228 2.087 0.628 0.707 0.933 0.767 CB 1.489 31 residues pruned to eliminate duplicates Z: 37 39.239 2.148 0.868 0.648 0.917 0.694 CB 1.549 37 residues pruned to eliminate duplicates Z: 35 45.096 2.226 0.827 0.698 1.000 0.765 CB 1.587 35 residues pruned to eliminate duplicates Z: 37 37.935 2.161 0.803 0.648 0.944 0.722 CB 1.496 37 residues pruned to eliminate duplicates Z: 41 26.304 1.985 0.589 0.529 0.925 0.575 CB 1.385 41 residues pruned to eliminate duplicates Z: 78 38.002 2.077 0.664 0.541 0.909 0.584 CB 1.324 89 residues pruned to eliminate duplicates Z: 7 6.054 1.497 0.780 0.523 1.000 0.833 CA 0.907 7 residues pruned to eliminate duplicates Z: 37 20.400 2.006 0.529 0.453 0.889 0.639 CB 1.309 37 residues pruned to eliminate duplicates Z: 22 17.339 2.051 0.727 0.544 0.905 0.714 CB 1.131 22 residues pruned to eliminate duplicates Z: 20 22.770 2.056 0.829 0.620 1.000 0.789 CB 1.240 20 residues pruned to eliminate duplicates Z: 57 22.372 1.974 0.633 0.372 0.857 0.554 CB 1.242 70 residues pruned to eliminate duplicates Z: 81 27.734 1.997 0.718 0.435 0.812 0.525 CB 1.190 81 residues pruned to eliminate duplicates Z: 18 18.376 2.096 0.680 0.608 0.941 0.765 CB 1.213 18 residues pruned to eliminate duplicates Z: 19 20.780 2.068 0.720 0.608 0.944 0.833 CB 1.316 19 residues pruned to eliminate duplicates Z: 36 24.445 2.105 0.754 0.418 0.914 0.629 CB 1.334 36 residues pruned to eliminate duplicates Z: 49 21.089 1.955 0.672 0.381 0.833 0.521 CB 1.268 49 residues pruned to eliminate duplicates Z: 43 27.640 2.074 0.740 0.426 1.000 0.571 CB 1.276 43 residues pruned to eliminate duplicates Z: 54 21.276 2.008 0.607 0.392 0.811 0.623 CB 1.252 54 residues pruned to eliminate duplicates Z: 90 43.084 2.083 0.712 0.502 0.888 0.685 CB 1.440 90 residues pruned to eliminate duplicates Z: 54 21.464 1.934 0.698 0.383 0.830 0.660 CB 1.224 54 residues pruned to eliminate duplicates Z: 92 29.767 1.998 0.583 0.450 0.835 0.615 CB 1.243 92 residues pruned to eliminate duplicates Z: 89 48.582 2.091 0.776 0.572 0.932 0.739 CB 1.396 89 residues pruned to eliminate duplicates Z: 49 26.668 2.030 0.760 0.414 0.938 0.646 CB 1.258 49 residues pruned to eliminate duplicates Z: 27 15.959 2.045 0.663 0.310 0.885 0.577 CB 1.285 27 residues pruned to eliminate duplicates Z: 46 25.570 2.046 0.673 0.412 0.956 0.644 CB 1.278 46 residues pruned to eliminate duplicates Z: 37 26.300 2.111 0.741 0.436 0.944 0.722 CB 1.348 37 residues pruned to eliminate duplicates Z: 33 16.837 2.022 0.641 0.309 0.906 0.500 CB 1.224 33 residues pruned to eliminate duplicates Z: 45 26.083 2.026 0.732 0.446 0.909 0.659 CB 1.302 45 residues pruned to eliminate duplicates Z: 41 21.968 2.044 0.631 0.451 0.925 0.750 CB 1.184 41 residues pruned to eliminate duplicates Z: 104 44.287 2.071 0.696 0.486 0.922 0.650 CB 1.367 104 residues pruned to eliminate duplicates Z: 43 23.022 2.040 0.667 0.441 0.857 0.690 CB 1.295 43 residues pruned to eliminate duplicates Z: 44 26.255 2.075 0.643 0.452 0.953 0.674 CB 1.293 44 residues pruned to eliminate duplicates Z: 44 27.860 2.067 0.703 0.419 0.953 0.605 CB 1.377 44 residues pruned to eliminate duplicates Z: 44 26.057 2.064 0.699 0.468 0.930 0.721 CB 1.259 44 residues pruned to eliminate duplicates Z: 44 25.914 2.059 0.700 0.440 0.930 0.674 CB 1.292 44 residues pruned to eliminate duplicates Z: 43 29.935 2.078 0.783 0.449 1.000 0.714 CB 1.314 43 residues pruned to eliminate duplicates Z: 70 26.555 1.982 0.635 0.363 0.841 0.594 CB 1.360 70 residues pruned to eliminate duplicates Z: 49 26.768 2.041 0.753 0.393 0.958 0.625 CB 1.263 49 residues pruned to eliminate duplicates Z: 48 27.263 2.052 0.690 0.428 0.936 0.596 CB 1.320 48 residues pruned to eliminate duplicates Z: 30 23.431 2.041 0.702 0.515 0.897 0.414 CB 1.376 30 residues pruned to eliminate duplicates Z: 11 11.449 2.026 0.712 0.273 1.000 0.600 CB 1.350 11 residues pruned to eliminate duplicates Z: 89 44.393 2.119 0.645 0.505 0.932 0.648 CB 1.450 89 residues pruned to eliminate duplicates Z: 53 25.794 2.005 0.681 0.433 0.865 0.596 CB 1.315 53 residues pruned to eliminate duplicates Z: 44 26.519 2.094 0.674 0.439 0.977 0.674 CB 1.258 44 residues pruned to eliminate duplicates Z: 121 54.666 2.133 0.779 0.527 0.883 0.642 CB 1.449 121 residues pruned to eliminate duplicates Z: 54 35.853 2.135 0.683 0.557 0.906 0.660 CB 1.432 54 residues pruned to eliminate duplicates Z: 42 30.361 2.044 0.719 0.483 0.902 0.585 CB 1.522 42 residues pruned to eliminate duplicates Z: 70 48.979 2.164 0.786 0.600 0.957 0.652 CB 1.450 70 residues pruned to eliminate duplicates Z: 68 40.518 2.141 0.701 0.517 0.940 0.627 CB 1.422 68 residues pruned to eliminate duplicates Z: 79 50.698 2.167 0.670 0.585 0.910 0.718 CB 1.606 79 residues pruned to eliminate duplicates Z: 22 29.410 2.216 0.731 0.646 0.905 0.810 CB 1.614 22 residues pruned to eliminate duplicates Z: 43 38.084 2.177 0.616 0.640 0.952 0.810 CB 1.539 43 residues pruned to eliminate duplicates Z: 27 24.415 2.103 0.621 0.568 0.885 0.654 CB 1.486 27 residues pruned to eliminate duplicates Z: 22 35.274 2.212 0.894 0.627 1.000 0.762 CB 1.630 22 residues pruned to eliminate duplicates Z: 27 26.190 2.165 0.754 0.573 0.846 0.731 CB 1.490 27 residues pruned to eliminate duplicates Z: 77 44.882 2.079 0.794 0.566 0.895 0.618 CB 1.448 77 residues pruned to eliminate duplicates Z: 88 47.623 2.103 0.698 0.561 0.897 0.609 CB 1.503 88 residues pruned to eliminate duplicates Z: 50 33.266 2.127 0.622 0.602 0.878 0.755 CB 1.424 50 residues pruned to eliminate duplicates Z: 27 27.470 2.132 0.705 0.568 0.923 0.615 CB 1.503 27 residues pruned to eliminate duplicates Z: 28 23.154 1.996 0.693 0.561 0.815 0.630 CB 1.526 28 residues pruned to eliminate duplicates Z: 21 33.489 2.221 0.789 0.684 0.950 0.900 CB 1.675 21 residues pruned to eliminate duplicates Z: 44 40.476 2.198 0.764 0.615 0.953 0.651 CB 1.498 44 residues pruned to eliminate duplicates Z: 65 36.423 2.120 0.657 0.516 0.922 0.672 CB 1.383 65 residues pruned to eliminate duplicates Z: 88 48.771 2.150 0.651 0.539 0.977 0.609 CB 1.451 88 residues pruned to eliminate duplicates Z: 48 26.980 2.043 0.738 0.478 0.872 0.596 CB 1.299 48 residues pruned to eliminate duplicates Z: 46 36.124 2.159 0.656 0.602 0.978 0.756 CB 1.398 46 residues pruned to eliminate duplicates Z: 65 50.220 2.157 0.838 0.599 0.922 0.625 CB 1.563 65 residues pruned to eliminate duplicates Z: 105 47.567 2.105 0.617 0.540 0.962 0.644 CB 1.370 105 residues pruned to eliminate duplicates Z: 85 47.418 2.150 0.754 0.528 0.929 0.679 CB 1.437 85 residues pruned to eliminate duplicates Z: 123 55.748 2.141 0.715 0.531 0.934 0.680 CB 1.427 123 residues pruned to eliminate duplicates Z: 45 40.417 2.186 0.856 0.595 0.909 0.568 CB 1.509 45 residues pruned to eliminate duplicates Z: 47 40.419 2.159 0.713 0.621 0.935 0.630 CB 1.538 47 residues pruned to eliminate duplicates Z: 94 43.903 2.094 0.706 0.511 0.925 0.677 CB 1.363 94 residues pruned to eliminate duplicates Z: 88 42.255 2.115 0.734 0.510 0.943 0.678 CB 1.298 88 residues pruned to eliminate duplicates Z: 23 27.591 2.153 0.854 0.684 0.955 0.773 CB 1.304 23 residues pruned to eliminate duplicates Z: 45 39.259 2.170 0.738 0.607 0.932 0.727 CB 1.521 45 residues pruned to eliminate duplicates Z: 53 41.941 2.173 0.805 0.594 0.942 0.615 CB 1.438 53 residues pruned to eliminate duplicates Z: 23 30.990 2.187 0.766 0.697 0.955 0.727 CB 1.497 23 residues pruned to eliminate duplicates Z: 57 47.326 2.171 0.907 0.628 0.893 0.661 CB 1.517 57 residues pruned to eliminate duplicates Z: 80 45.111 2.135 0.671 0.582 0.886 0.620 CB 1.483 80 residues pruned to eliminate duplicates Z: 44 44.689 2.209 0.754 0.633 1.000 0.721 CB 1.553 44 residues pruned to eliminate duplicates Z: 88 37.425 2.069 0.712 0.457 0.885 0.575 CB 1.337 88 residues pruned to eliminate duplicates Z: 20 34.046 2.257 1.056 0.717 0.947 0.842 CB 1.460 20 residues pruned to eliminate duplicates Z: 47 43.880 2.187 0.884 0.609 0.935 0.783 CB 1.514 47 residues pruned to eliminate duplicates Z: 48 43.368 2.184 0.939 0.623 0.894 0.660 CB 1.488 48 residues pruned to eliminate duplicates Z: 73 39.657 2.112 0.831 0.468 0.889 0.667 CB 1.404 73 residues pruned to eliminate duplicates Z: 50 41.162 2.134 0.893 0.600 0.918 0.592 CB 1.441 50 residues pruned to eliminate duplicates Z: 48 38.669 2.173 0.906 0.580 0.894 0.617 CB 1.411 48 residues pruned to eliminate duplicates Z: 27 24.858 2.126 0.703 0.594 0.923 0.808 CB 1.334 27 residues pruned to eliminate duplicates Z: 37 26.186 2.084 0.736 0.500 0.833 0.528 CB 1.448 37 residues pruned to eliminate duplicates Z: 36 31.655 2.127 0.778 0.559 0.886 0.600 CB 1.509 36 residues pruned to eliminate duplicates Z: 32 33.678 2.115 0.717 0.586 0.968 0.581 CB 1.584 32 residues pruned to eliminate duplicates Z: 20 22.928 2.104 0.818 0.546 0.842 0.632 CB 1.561 20 residues pruned to eliminate duplicates Z: 13 22.017 2.167 0.748 0.684 0.833 0.417 CB 1.701 13 residues pruned to eliminate duplicates Z: 30 37.468 2.149 0.938 0.658 0.931 0.621 CB 1.550 30 residues pruned to eliminate duplicates Z: 70 43.341 2.148 0.888 0.551 0.870 0.623 CB 1.407 70 residues pruned to eliminate duplicates Z: 47 33.106 2.088 0.842 0.521 0.826 0.500 CB 1.504 47 residues pruned to eliminate duplicates Z: 17 25.364 2.241 0.831 0.608 0.875 0.562 CB 1.594 17 residues pruned to eliminate duplicates Z: 77 54.960 2.182 0.914 0.577 0.895 0.618 CB 1.566 77 residues pruned to eliminate duplicates Z: 37 29.501 2.102 0.697 0.478 0.917 0.583 CB 1.538 37 residues pruned to eliminate duplicates Z: 71 47.633 2.131 0.817 0.534 0.914 0.614 CB 1.555 71 residues pruned to eliminate duplicates Z: 35 33.792 2.173 0.794 0.540 0.941 0.618 CB 1.519 35 residues pruned to eliminate duplicates Z: 80 50.716 2.140 0.894 0.558 0.899 0.608 CB 1.481 80 residues pruned to eliminate duplicates Z: 16 33.188 2.240 0.920 0.695 0.933 0.667 CB 1.786 16 residues pruned to eliminate duplicates Z: 81 49.544 2.142 0.826 0.546 0.913 0.625 CB 1.484 81 residues pruned to eliminate duplicates Z: 84 38.291 2.071 0.761 0.479 0.880 0.566 CB 1.339 84 residues pruned to eliminate duplicates Z: 39 29.839 2.092 0.971 0.487 0.868 0.579 CB 1.369 39 residues pruned to eliminate duplicates Z: 19 14.350 1.926 0.733 0.420 0.778 0.667 CB 1.416 19 residues pruned to eliminate duplicates Z: 77 46.233 2.173 0.892 0.539 0.816 0.553 CB 1.523 77 residues pruned to eliminate duplicates Z: 36 37.359 2.097 0.995 0.579 0.886 0.571 CB 1.579 36 residues pruned to eliminate duplicates Z: 88 49.530 2.150 0.844 0.546 0.897 0.655 CB 1.429 88 residues pruned to eliminate duplicates Z: 121 48.699 2.122 0.803 0.477 0.875 0.617 CB 1.359 121 residues pruned to eliminate duplicates Z: 36 22.520 2.007 0.776 0.425 0.771 0.514 CB 1.496 36 residues pruned to eliminate duplicates Z: 18 21.838 2.026 0.807 0.498 0.882 0.647 CB 1.643 18 residues pruned to eliminate duplicates Z: 34 33.317 2.096 0.883 0.536 0.879 0.576 CB 1.615 34 residues pruned to eliminate duplicates Z: 35 32.908 2.132 0.981 0.583 0.794 0.529 CB 1.554 35 residues pruned to eliminate duplicates Z: 16 20.073 2.124 0.807 0.543 0.867 0.467 CB 1.494 16 residues pruned to eliminate duplicates Z: 26 16.404 1.982 0.386 0.400 0.920 0.520 CB 1.441 26 residues pruned to eliminate duplicates Z: 15 20.151 2.129 0.778 0.563 0.929 0.571 CB 1.441 15 residues pruned to eliminate duplicates Z: 16 17.764 2.041 0.766 0.503 0.867 0.600 CB 1.465 16 residues pruned to eliminate duplicates Z: 18 21.246 2.107 0.679 0.604 0.882 0.647 CB 1.495 18 residues pruned to eliminate duplicates Z: 36 30.561 2.122 0.681 0.541 0.886 0.600 CB 1.571 36 residues pruned to eliminate duplicates Z: 38 29.673 2.059 0.749 0.534 0.919 0.676 CB 1.426 38 residues pruned to eliminate duplicates Z: 26 22.076 1.995 0.734 0.497 0.920 0.640 CB 1.392 26 residues pruned to eliminate duplicates Z: 29 20.011 1.906 0.728 0.483 0.857 0.571 CB 1.363 29 residues pruned to eliminate duplicates Z: 9 6.162 1.676 0.699 0.288 0.875 0.375 CB 1.110 9 residues pruned to eliminate duplicates Z: 29 13.370 1.831 0.678 0.355 0.714 0.357 CB 1.348 29 residues pruned to eliminate duplicates Z: 21 11.480 1.836 0.652 0.360 0.900 0.500 CB 1.093 21 residues pruned to eliminate duplicates Z: 22 13.761 1.865 0.874 0.413 0.905 0.571 CB 1.039 22 residues pruned to eliminate duplicates Z: 27 9.943 1.790 0.793 0.390 0.808 0.500 CB 0.845 27 residues pruned to eliminate duplicates Z: 21 11.967 1.907 0.887 0.405 0.750 0.550 CB 1.096 21 residues pruned to eliminate duplicates Z: 16 12.135 1.908 0.884 0.411 0.933 0.600 CB 1.025 16 residues pruned to eliminate duplicates Z: 19 9.013 1.861 0.564 0.314 0.833 0.500 CB 1.075 19 residues pruned to eliminate duplicates Z: 14 8.934 1.963 0.438 0.437 0.846 0.615 CB 1.107 14 residues pruned to eliminate duplicates Z: 56 33.074 2.045 0.710 0.492 0.891 0.491 CB 1.443 56 residues pruned to eliminate duplicates Z: 39 21.342 1.949 0.620 0.406 0.868 0.526 CB 1.393 39 residues pruned to eliminate duplicates Z: 12 9.724 2.019 0.538 0.488 0.727 0.455 CB 1.314 12 residues pruned to eliminate duplicates Z: 92 43.833 2.071 0.806 0.467 0.879 0.593 CB 1.445 92 residues pruned to eliminate duplicates Z: 16 9.796 1.861 0.738 0.316 0.867 0.733 CB 1.106 16 residues pruned to eliminate duplicates Z: 52 25.392 2.036 0.659 0.435 0.784 0.549 CB 1.435 52 residues pruned to eliminate duplicates Z: 16 9.469 1.859 0.801 0.369 0.733 0.600 CB 1.146 16 residues pruned to eliminate duplicates Z: 45 37.486 2.068 0.718 0.696 0.932 0.659 CB 1.428 45 residues pruned to eliminate duplicates Z: 45 42.375 2.122 0.790 0.713 0.955 0.705 CB 1.453 45 residues pruned to eliminate duplicates Z: 40 33.039 2.112 0.594 0.678 0.923 0.744 CB 1.446 40 residues pruned to eliminate duplicates Z: 39 33.223 2.096 0.570 0.688 0.947 0.763 CB 1.455 39 residues pruned to eliminate duplicates Z: 20 24.240 2.201 0.857 0.582 0.895 0.474 CB 1.406 20 residues pruned to eliminate duplicates Z: 45 38.024 2.083 0.679 0.696 0.955 0.682 CB 1.436 45 residues pruned to eliminate duplicates Z: 40 43.530 2.140 0.809 0.679 0.949 0.795 CB 1.610 40 residues pruned to eliminate duplicates Z: 36 37.594 2.192 0.627 0.681 0.943 0.743 CB 1.600 36 residues pruned to eliminate duplicates Z: 18 25.745 2.261 0.643 0.643 0.941 0.765 CB 1.562 18 residues pruned to eliminate duplicates Z: 22 20.343 2.100 0.872 0.530 0.810 0.524 CB 1.355 22 residues pruned to eliminate duplicates Z: 23 36.269 2.270 0.802 0.736 0.955 0.682 CB 1.603 23 residues pruned to eliminate duplicates Z: 17 27.113 2.284 0.691 0.685 0.938 0.688 CB 1.580 17 residues pruned to eliminate duplicates Z: 44 40.677 2.128 0.663 0.714 0.953 0.674 CB 1.515 44 residues pruned to eliminate duplicates Z: 38 40.961 2.199 0.758 0.681 0.946 0.703 CB 1.560 38 residues pruned to eliminate duplicates Z: 37 39.736 2.153 0.722 0.683 0.944 0.778 CB 1.600 37 residues pruned to eliminate duplicates Z: 44 42.719 2.140 0.727 0.697 0.953 0.744 CB 1.545 44 residues pruned to eliminate duplicates Z: 37 40.357 2.179 0.937 0.687 0.917 0.722 CB 1.465 37 residues pruned to eliminate duplicates Z: 44 43.217 2.136 0.715 0.722 0.953 0.744 CB 1.544 44 residues pruned to eliminate duplicates Z: 44 39.978 2.123 0.606 0.730 0.953 0.721 CB 1.525 44 residues pruned to eliminate duplicates Z: 45 42.926 2.135 0.704 0.702 0.955 0.659 CB 1.550 45 residues pruned to eliminate duplicates Z: 43 41.365 2.123 0.702 0.717 0.952 0.738 CB 1.525 43 residues pruned to eliminate duplicates Z: 38 42.563 2.191 0.855 0.725 0.919 0.730 CB 1.530 38 residues pruned to eliminate duplicates Z: 39 28.263 2.077 0.665 0.596 0.921 0.579 CB 1.313 39 residues pruned to eliminate duplicates Z: 44 46.039 2.144 0.808 0.716 0.977 0.674 CB 1.525 44 residues pruned to eliminate duplicates Z: 41 44.175 2.184 0.746 0.733 0.975 0.675 CB 1.524 41 residues pruned to eliminate duplicates Z: 44 37.639 2.118 0.738 0.631 0.977 0.674 CB 1.412 44 residues pruned to eliminate duplicates Z: 46 43.323 2.149 0.775 0.701 0.956 0.689 CB 1.475 46 residues pruned to eliminate duplicates Z: 45 48.742 2.089 0.905 0.719 1.000 0.682 CB 1.516 45 residues pruned to eliminate duplicates Z: 62 46.679 2.109 0.872 0.671 0.902 0.705 CB 1.433 43 residues pruned to eliminate duplicates Z: 21 27.471 1.892 0.896 0.883 1.000 0.650 CB 1.238 21 residues pruned to eliminate duplicates Z: 45 43.946 2.129 0.820 0.699 0.955 0.568 CB 1.494 45 residues pruned to eliminate duplicates Z: 52 50.456 2.134 0.928 0.697 0.980 0.686 CB 1.463 52 residues pruned to eliminate duplicates Z: 63 38.660 2.031 0.780 0.579 0.903 0.645 CB 1.393 63 residues pruned to eliminate duplicates Z: 52 45.920 2.129 0.817 0.680 0.961 0.647 CB 1.466 52 residues pruned to eliminate duplicates Z: 21 15.764 1.952 0.635 0.642 0.850 0.750 CB 1.138 Z: 7 3.890 1.278 0.907 0.210 1.000 0.500 CA 0.917 7 residues pruned to eliminate duplicates Z: 53 41.727 2.073 0.932 0.661 0.923 0.692 CB 1.348 53 residues pruned to eliminate duplicates Z: 53 44.333 2.120 0.809 0.696 0.923 0.769 CB 1.452 53 residues pruned to eliminate duplicates Z: 41 30.524 1.975 0.854 0.598 0.950 0.550 CB 1.263 41 residues pruned to eliminate duplicates Z: 56 43.668 2.034 0.828 0.679 0.945 0.764 CB 1.420 56 residues pruned to eliminate duplicates Z: 51 31.958 2.046 0.714 0.532 0.900 0.580 CB 1.389 51 residues pruned to eliminate duplicates Z: 55 29.020 2.007 0.555 0.516 0.926 0.611 CB 1.346 55 residues pruned to eliminate duplicates Z: 42 27.061 2.038 0.620 0.562 0.878 0.561 CB 1.373 42 residues pruned to eliminate duplicates Z: 70 27.280 1.979 0.593 0.463 0.826 0.522 CB 1.310 70 residues pruned to eliminate duplicates Z: 62 28.350 1.989 0.592 0.505 0.918 0.574 CB 1.243 62 residues pruned to eliminate duplicates Z: 41 26.990 2.027 0.628 0.603 0.875 0.725 CB 1.340 41 residues pruned to eliminate duplicates Z: 41 29.843 2.039 0.726 0.572 0.900 0.650 CB 1.390 41 residues pruned to eliminate duplicates Z: 40 28.226 2.060 0.733 0.618 0.897 0.692 CB 1.262 40 residues pruned to eliminate duplicates Z: 38 28.571 2.005 0.771 0.629 0.919 0.676 CB 1.275 38 residues pruned to eliminate duplicates Z: 61 34.364 2.013 0.709 0.537 0.950 0.617 CB 1.308 61 residues pruned to eliminate duplicates Z: 35 29.321 2.097 0.776 0.618 0.912 0.706 CB 1.325 35 residues pruned to eliminate duplicates Z: 48 32.106 2.078 0.776 0.572 0.894 0.723 CB 1.325 48 residues pruned to eliminate duplicates Z: 37 32.508 2.052 0.909 0.646 0.944 0.694 CB 1.278 37 residues pruned to eliminate duplicates Z: 39 33.243 2.022 0.907 0.617 0.921 0.684 CB 1.360 39 residues pruned to eliminate duplicates Z: 67 37.776 2.062 0.752 0.597 0.909 0.591 CB 1.291 67 residues pruned to eliminate duplicates Z: 57 31.704 2.020 0.791 0.548 0.875 0.571 CB 1.277 121 residues pruned to eliminate duplicates Z: 53 32.670 2.034 0.769 0.569 0.885 0.558 CB 1.331 53 residues pruned to eliminate duplicates Z: 70 41.277 2.048 0.728 0.599 0.928 0.652 CB 1.378 70 residues pruned to eliminate duplicates Z: 49 37.306 2.078 0.831 0.578 0.938 0.646 CB 1.401 49 residues pruned to eliminate duplicates Z: 52 32.393 2.051 0.740 0.541 0.922 0.667 CB 1.324 52 residues pruned to eliminate duplicates Z: 54 34.624 2.040 0.762 0.562 0.906 0.585 CB 1.375 54 residues pruned to eliminate duplicates Z: 50 35.435 2.040 0.656 0.638 0.959 0.694 CB 1.372 50 residues pruned to eliminate duplicates Z: 52 30.776 2.024 0.808 0.558 0.863 0.608 CB 1.291 52 residues pruned to eliminate duplicates Z: 52 36.120 2.040 0.718 0.591 0.941 0.627 CB 1.406 52 residues pruned to eliminate duplicates Z: 52 35.757 2.081 0.807 0.546 0.922 0.569 CB 1.381 52 residues pruned to eliminate duplicates Z: 53 33.092 2.069 0.682 0.555 0.923 0.577 CB 1.354 53 residues pruned to eliminate duplicates Z: 54 34.043 2.029 0.759 0.587 0.925 0.547 CB 1.304 54 residues pruned to eliminate duplicates Z: 66 35.105 2.019 0.835 0.532 0.877 0.538 CB 1.299 66 residues pruned to eliminate duplicates Z: 53 34.253 2.048 0.667 0.596 0.923 0.558 CB 1.376 53 residues pruned to eliminate duplicates Z: 56 29.064 1.986 0.740 0.520 0.855 0.527 CB 1.301 56 residues pruned to eliminate duplicates Z: 73 38.063 2.067 0.740 0.586 0.861 0.597 CB 1.334 73 residues pruned to eliminate duplicates Z: 74 38.474 2.049 0.651 0.578 0.932 0.630 CB 1.326 74 residues pruned to eliminate duplicates Z: 76 38.858 2.014 0.742 0.524 0.933 0.547 CB 1.339 76 residues pruned to eliminate duplicates Z: 72 36.454 2.045 0.708 0.600 0.845 0.620 CB 1.333 72 residues pruned to eliminate duplicates Z: 14 14.978 2.008 0.915 0.479 0.846 0.538 CB 1.304 14 residues pruned to eliminate duplicates Z: 19 25.616 2.065 0.967 0.710 1.000 0.667 CB 1.228 19 residues pruned to eliminate duplicates Z: 22 16.770 1.987 0.619 0.618 0.857 0.619 CB 1.188 22 residues pruned to eliminate duplicates Z: 71 42.827 2.050 0.806 0.622 0.914 0.657 CB 1.348 71 residues pruned to eliminate duplicates Z: 20 25.061 2.100 0.849 0.699 0.895 0.737 CB 1.381 20 residues pruned to eliminate duplicates Z: 26 19.526 1.972 0.750 0.583 0.840 0.600 CB 1.244 26 residues pruned to eliminate duplicates Z: 36 25.992 2.048 0.804 0.560 0.857 0.514 CB 1.309 36 residues pruned to eliminate duplicates Z: 20 25.145 2.075 0.932 0.719 0.895 0.789 CB 1.319 20 residues pruned to eliminate duplicates Z: 22 24.833 2.049 0.925 0.646 0.952 0.667 CB 1.258 22 residues pruned to eliminate duplicates Z: 21 24.780 2.058 0.994 0.709 0.950 0.700 CB 1.176 21 residues pruned to eliminate duplicates Z: 20 24.630 2.080 0.918 0.658 0.895 0.579 CB 1.367 20 residues pruned to eliminate duplicates Z: 21 26.622 2.049 0.886 0.692 0.950 0.600 CB 1.360 21 residues pruned to eliminate duplicates Z: 20 25.941 2.095 0.929 0.714 0.895 0.632 CB 1.356 20 residues pruned to eliminate duplicates Z: 20 27.230 2.076 0.983 0.715 0.947 0.632 CB 1.318 20 residues pruned to eliminate duplicates Z: 21 23.018 2.020 1.079 0.683 0.900 0.500 CB 1.151 21 residues pruned to eliminate duplicates Z: 21 24.893 2.034 0.962 0.685 0.950 0.650 CB 1.240 21 residues pruned to eliminate duplicates Z: 24 23.765 2.002 0.949 0.617 0.957 0.478 CB 1.189 24 residues pruned to eliminate duplicates Z: 27 24.372 1.956 0.948 0.607 0.962 0.615 CB 1.179 27 residues pruned to eliminate duplicates Z: 32 26.016 1.971 0.790 0.697 0.968 0.484 CB 1.143 32 residues pruned to eliminate duplicates Z: 83 43.287 2.042 0.714 0.602 0.902 0.622 CB 1.374 83 residues pruned to eliminate duplicates Z: 41 30.918 1.976 0.770 0.629 0.950 0.625 CB 1.303 41 residues pruned to eliminate duplicates Z: 88 44.109 2.026 0.726 0.595 0.920 0.563 CB 1.343 88 residues pruned to eliminate duplicates Z: 34 28.176 1.954 0.832 0.654 0.939 0.515 CB 1.264 34 residues pruned to eliminate duplicates Z: 38 27.420 1.968 0.785 0.626 0.892 0.703 CB 1.278 38 residues pruned to eliminate duplicates Z: 34 27.869 1.991 0.679 0.673 0.939 0.788 CB 1.317 34 residues pruned to eliminate duplicates Z: 38 26.031 1.974 0.730 0.625 0.919 0.622 CB 1.212 38 residues pruned to eliminate duplicates Z: 25 20.366 1.944 0.486 0.675 1.000 0.750 CB 1.225 25 residues pruned to eliminate duplicates Z: 14 12.584 1.883 0.455 0.557 0.923 0.769 CB 1.305 14 residues pruned to eliminate duplicates Z: 37 29.087 1.962 0.727 0.653 0.944 0.611 CB 1.314 37 residues pruned to eliminate duplicates Z: 37 29.125 1.976 0.785 0.658 0.972 0.667 CB 1.222 37 residues pruned to eliminate duplicates Z: 24 11.846 1.843 0.338 0.397 0.783 0.478 CB 1.427 27 residues pruned to eliminate duplicates Z: 7 4.937 1.384 0.311 0.592 1.000 0.667 CB 1.017 7 residues pruned to eliminate duplicates Z: 19 17.957 1.949 0.653 0.546 0.889 0.611 CB 1.413 19 residues pruned to eliminate duplicates Z: 28 14.984 1.867 0.619 0.391 0.852 0.519 CB 1.257 27 residues pruned to eliminate duplicates Z: 6 5.576 1.616 0.619 0.307 1.000 0.400 CA 1.180 6 residues pruned to eliminate duplicates Z: 17 15.472 1.928 0.761 0.460 0.875 0.438 CB 1.357 17 residues pruned to eliminate duplicates Z: 17 15.578 1.929 0.692 0.535 0.875 0.688 CB 1.317 17 residues pruned to eliminate duplicates Z: 15 11.949 1.949 0.331 0.391 0.857 0.500 CB 1.612 15 residues pruned to eliminate duplicates Z: 26 15.891 1.936 0.551 0.476 0.840 0.600 CB 1.291 26 residues pruned to eliminate duplicates Z: 16 13.810 1.933 0.614 0.441 0.867 0.533 CB 1.401 16 residues pruned to eliminate duplicates Z: 18 18.349 1.967 0.652 0.516 0.941 0.647 CB 1.431 18 residues pruned to eliminate duplicates Z: 28 12.514 1.839 0.440 0.361 0.815 0.593 CB 1.296 28 residues pruned to eliminate duplicates Z: 27 17.454 1.947 0.635 0.398 0.885 0.538 CB 1.354 27 residues pruned to eliminate duplicates Z: 18 17.800 1.912 0.764 0.514 0.941 0.647 CB 1.342 18 residues pruned to eliminate duplicates Z: 22 17.272 1.901 0.661 0.480 0.905 0.762 CB 1.347 22 residues pruned to eliminate duplicates Z: 34 15.628 1.899 0.471 0.348 0.879 0.424 CB 1.306 34 residues pruned to eliminate duplicates Z: 43 19.129 1.952 0.553 0.385 0.833 0.452 CB 1.320 43 residues pruned to eliminate duplicates Z: 8 2.719 1.780 0.295 0.341 0.714 0.429 CB 0.741 8 residues pruned to eliminate duplicates Z: 7 4.326 1.826 0.438 0.405 0.833 0.667 CB 0.892 7 residues pruned to eliminate duplicates Z: 9 4.321 1.745 0.315 0.266 1.000 0.625 CB 0.869 9 residues pruned to eliminate duplicates Z: 24 15.077 1.942 0.674 0.499 0.870 0.565 CB 1.113 24 residues pruned to eliminate duplicates Z: 44 17.899 1.896 0.525 0.369 0.837 0.512 CB 1.298 44 residues pruned to eliminate duplicates Z: 22 9.696 1.867 0.657 0.371 0.762 0.619 CB 1.031 22 residues pruned to eliminate duplicates Z: 25 11.795 1.873 0.531 0.475 0.792 0.500 CB 1.088 25 residues pruned to eliminate duplicates Z: 24 19.414 1.949 0.890 0.496 0.870 0.565 CB 1.269 24 residues pruned to eliminate duplicates Z: 38 22.200 1.981 0.770 0.469 0.892 0.622 CB 1.205 38 residues pruned to eliminate duplicates Z: 26 18.376 1.980 0.621 0.455 0.920 0.680 CB 1.303 26 residues pruned to eliminate duplicates Z: 25 14.756 1.951 0.603 0.427 0.875 0.542 CB 1.188 25 residues pruned to eliminate duplicates Z: 25 18.275 1.960 0.695 0.499 0.917 0.667 CB 1.226 25 residues pruned to eliminate duplicates Z: 22 15.849 1.938 0.700 0.483 0.952 0.524 CB 1.121 22 residues pruned to eliminate duplicates Z: 24 17.524 1.970 0.616 0.496 0.913 0.696 CB 1.262 24 residues pruned to eliminate duplicates Z: 16 14.712 1.952 0.654 0.469 0.933 0.733 CB 1.300 16 residues pruned to eliminate duplicates Z: 27 15.335 1.909 0.726 0.428 0.885 0.577 CB 1.112 27 residues pruned to eliminate duplicates Z: 35 26.633 1.995 0.620 0.653 0.882 0.471 CB 1.389 35 residues pruned to eliminate duplicates Z: 30 14.586 1.801 0.607 0.429 0.828 0.483 CB 1.217 30 residues pruned to eliminate duplicates Z: 34 18.229 1.855 0.542 0.575 0.848 0.424 CB 1.216 34 residues pruned to eliminate duplicates Z: 17 16.224 1.829 0.618 0.594 0.875 0.625 CB 1.431 17 residues pruned to eliminate duplicates Z: 17 14.682 1.865 0.488 0.612 0.875 0.812 CB 1.360 17 residues pruned to eliminate duplicates Z: 21 17.620 1.888 0.486 0.658 0.950 0.600 CB 1.277 21 residues pruned to eliminate duplicates Z: 42 24.312 1.951 0.421 0.661 0.878 0.585 CB 1.344 42 residues pruned to eliminate duplicates Z: 26 16.030 1.893 0.439 0.631 0.880 0.520 CB 1.182 26 residues pruned to eliminate duplicates Z: 40 21.390 1.895 0.580 0.605 0.897 0.564 CB 1.153 40 residues pruned to eliminate duplicates Z: 36 28.221 2.018 0.530 0.658 0.943 0.629 CB 1.414 36 residues pruned to eliminate duplicates Z: 41 24.364 1.950 0.351 0.686 0.925 0.725 CB 1.333 41 residues pruned to eliminate duplicates Z: 37 32.798 1.981 0.643 0.684 0.972 0.667 CB 1.460 37 residues pruned to eliminate duplicates Z: 30 26.881 1.990 0.683 0.607 0.931 0.517 CB 1.445 30 residues pruned to eliminate duplicates Z: 37 30.688 1.980 0.575 0.705 0.944 0.750 CB 1.442 37 residues pruned to eliminate duplicates Z: 34 27.178 1.952 0.628 0.649 0.939 0.697 CB 1.379 34 residues pruned to eliminate duplicates Z: 34 25.475 1.978 0.611 0.632 0.939 0.727 CB 1.309 34 residues pruned to eliminate duplicates Z: 32 24.941 1.996 0.689 0.651 0.903 0.742 CB 1.278 32 residues pruned to eliminate duplicates Z: 38 25.194 1.876 0.620 0.599 0.946 0.730 CB 1.312 38 residues pruned to eliminate duplicates Z: 25 21.234 1.925 0.629 0.622 0.917 0.708 CB 1.344 25 residues pruned to eliminate duplicates Z: 44 26.147 1.943 0.642 0.578 0.930 0.535 CB 1.246 44 residues pruned to eliminate duplicates Z: 41 34.517 1.975 0.693 0.725 0.975 0.650 CB 1.367 41 residues pruned to eliminate duplicates Z: 34 24.611 2.014 0.592 0.609 0.909 0.576 CB 1.326 34 residues pruned to eliminate duplicates Z: 50 32.685 1.998 0.667 0.663 0.939 0.653 CB 1.284 50 residues pruned to eliminate duplicates Z: 35 25.545 1.987 0.722 0.578 0.853 0.529 CB 1.393 35 residues pruned to eliminate duplicates Z: 52 34.651 1.986 0.732 0.631 0.902 0.569 CB 1.382 52 residues pruned to eliminate duplicates Z: 45 33.842 1.915 0.767 0.674 0.955 0.614 CB 1.345 45 residues pruned to eliminate duplicates Z: 50 27.848 1.947 0.705 0.553 0.878 0.510 CB 1.297 50 residues pruned to eliminate duplicates Z: 48 33.798 1.970 0.726 0.684 0.936 0.574 CB 1.308 48 residues pruned to eliminate duplicates Z: 51 29.094 1.957 0.715 0.588 0.880 0.540 CB 1.281 51 residues pruned to eliminate duplicates Z: 64 33.785 1.972 0.645 0.576 0.889 0.603 CB 1.372 64 residues pruned to eliminate duplicates Z: 42 29.573 1.950 0.732 0.683 0.951 0.659 CB 1.215 42 residues pruned to eliminate duplicates Z: 63 26.083 1.892 0.650 0.477 0.855 0.500 CB 1.270 63 residues pruned to eliminate duplicates Z: 49 32.869 1.998 0.729 0.659 0.938 0.688 CB 1.263 49 residues pruned to eliminate duplicates Z: 41 35.833 1.990 0.842 0.693 0.975 0.675 CB 1.329 41 residues pruned to eliminate duplicates Z: 37 15.499 1.916 0.475 0.414 0.806 0.528 CB 1.241 28 residues pruned to eliminate duplicates Z: 21 28.551 2.089 0.981 0.786 0.950 0.800 CB 1.263 21 residues pruned to eliminate duplicates Z: 47 35.773 2.005 0.798 0.637 0.957 0.522 CB 1.345 47 residues pruned to eliminate duplicates Z: 16 13.402 1.972 0.453 0.486 0.867 0.600 CB 1.413 16 residues pruned to eliminate duplicates Z: 28 15.485 1.944 0.451 0.514 0.778 0.519 CB 1.339 28 residues pruned to eliminate duplicates Z: 36 21.325 1.930 0.641 0.493 0.800 0.514 CB 1.432 36 residues pruned to eliminate duplicates Z: 41 31.743 1.941 0.795 0.630 0.900 0.625 CB 1.417 41 residues pruned to eliminate duplicates Z: 47 30.966 1.988 0.658 0.611 0.935 0.696 CB 1.334 47 residues pruned to eliminate duplicates Z: 46 25.232 1.935 0.614 0.571 0.844 0.511 CB 1.332 46 residues pruned to eliminate duplicates Z: 52 33.242 1.920 0.859 0.594 0.902 0.647 CB 1.321 52 residues pruned to eliminate duplicates Z: 63 36.707 1.956 0.729 0.643 0.935 0.677 CB 1.290 63 residues pruned to eliminate duplicates Z: 25 17.576 1.977 0.394 0.543 0.875 0.583 CB 1.427 25 residues pruned to eliminate duplicates Z: 81 33.363 1.900 0.718 0.505 0.825 0.512 CB 1.378 81 residues pruned to eliminate duplicates Z: 14 13.950 1.978 0.373 0.608 1.000 0.923 CB 1.286 Z: 13 20.465 1.834 0.736 0.889 1.000 0.917 CB 1.335 14 residues pruned to eliminate duplicates Z: 12 19.077 1.914 0.548 0.892 1.000 0.818 CB 1.394 12 residues pruned to eliminate duplicates Z: 13 18.420 1.843 0.497 0.906 1.000 0.917 CA 1.371 12 residues pruned to eliminate duplicates Z: 12 14.288 1.943 0.431 0.859 0.818 0.727 CB 1.393 12 residues pruned to eliminate duplicates Z: 17 17.441 1.973 0.582 0.676 1.000 0.875 CB 1.188 18 residues pruned to eliminate duplicates Z: 12 19.777 1.874 0.749 0.865 0.909 0.545 CB 1.467 12 residues pruned to eliminate duplicates Z: 16 15.741 2.011 0.476 0.660 1.000 0.867 CB 1.180 16 residues pruned to eliminate duplicates Z: 49 23.095 1.937 0.675 0.395 0.896 0.604 CB 1.282 13 residues pruned to eliminate duplicates Z: 12 13.454 1.972 0.628 0.647 0.818 0.273 CB 1.347 12 residues pruned to eliminate duplicates Z: 41 20.540 1.988 0.658 0.391 0.875 0.625 CB 1.263 41 residues pruned to eliminate duplicates Z: 43 21.380 1.994 0.542 0.417 0.905 0.667 CB 1.293 43 residues pruned to eliminate duplicates Z: 33 21.292 1.979 0.594 0.453 0.938 0.625 CB 1.336 33 residues pruned to eliminate duplicates Z: 65 24.843 1.969 0.483 0.449 0.922 0.641 CB 1.216 48 residues pruned to eliminate duplicates Z: 6 5.729 1.476 0.776 0.489 1.000 0.800 N 0.988 6 residues pruned to eliminate duplicates Z: 31 14.287 1.994 0.557 0.262 0.833 0.467 CB 1.323 31 residues pruned to eliminate duplicates Z: 43 20.008 1.994 0.473 0.421 0.905 0.738 CB 1.262 43 residues pruned to eliminate duplicates Z: 44 20.587 1.961 0.642 0.409 0.884 0.698 CB 1.214 44 residues pruned to eliminate duplicates Z: 43 23.522 1.959 0.631 0.428 0.952 0.714 CB 1.286 43 residues pruned to eliminate duplicates Z: 52 20.180 1.942 0.640 0.391 0.863 0.549 CB 1.155 52 residues pruned to eliminate duplicates Z: 33 15.429 1.923 0.663 0.262 0.844 0.531 CB 1.326 33 residues pruned to eliminate duplicates Z: 50 22.988 1.952 0.514 0.440 0.918 0.735 CB 1.287 51 residues pruned to eliminate duplicates Z: 17 15.870 1.894 0.789 0.766 0.875 0.688 CB 1.057 17 residues pruned to eliminate duplicates Z: 29 16.479 1.954 0.729 0.315 0.893 0.607 CB 1.267 29 residues pruned to eliminate duplicates Z: 44 19.842 1.970 0.600 0.389 0.860 0.535 CB 1.255 44 residues pruned to eliminate duplicates Z: 30 16.289 1.850 0.655 0.451 0.897 0.655 CB 1.158 30 residues pruned to eliminate duplicates Z: 12 6.850 1.938 0.621 0.218 0.818 0.636 CB 1.119 12 residues pruned to eliminate duplicates Z: 30 16.851 1.968 0.562 0.461 0.931 0.655 CB 1.137 30 residues pruned to eliminate duplicates Z: 27 19.625 2.003 0.642 0.553 0.923 0.692 CB 1.204 28 residues pruned to eliminate duplicates Z: 8 9.827 1.986 0.822 0.669 0.857 0.429 CB 1.024 8 residues pruned to eliminate duplicates Z: 33 19.054 2.004 0.600 0.515 0.906 0.719 CB 1.142 32 residues pruned to eliminate duplicates Z: 6 6.029 2.046 0.204 0.599 0.800 0.600 CB 1.245 6 residues pruned to eliminate duplicates Z: 21 20.019 2.008 0.575 0.597 1.000 0.850 CB 1.290 21 residues pruned to eliminate duplicates Z: 21 20.056 1.979 0.510 0.661 1.000 0.800 CB 1.293 21 residues pruned to eliminate duplicates Z: 20 17.468 1.969 0.485 0.613 1.000 0.632 CB 1.232 20 residues pruned to eliminate duplicates Z: 33 20.423 1.998 0.661 0.493 0.938 0.719 CB 1.168 33 residues pruned to eliminate duplicates Z: 15 15.124 1.847 0.415 0.773 1.000 0.857 CB 1.216 15 residues pruned to eliminate duplicates Z: 29 17.555 1.932 0.467 0.528 0.893 0.750 CB 1.275 29 residues pruned to eliminate duplicates Z: 21 18.024 1.988 0.479 0.660 1.000 0.850 CB 1.183 21 residues pruned to eliminate duplicates Z: 31 15.542 1.904 0.452 0.492 0.867 0.533 CB 1.193 31 residues pruned to eliminate duplicates Z: 23 14.878 2.012 0.448 0.539 0.909 0.636 CB 1.153 23 residues pruned to eliminate duplicates Z: 19 18.407 2.015 0.557 0.627 1.000 0.833 CB 1.226 19 residues pruned to eliminate duplicates Z: 17 16.094 1.891 0.511 0.616 0.938 0.812 CB 1.346 17 residues pruned to eliminate duplicates Z: 21 20.157 2.007 0.492 0.680 1.000 0.900 CB 1.276 21 residues pruned to eliminate duplicates Z: 62 29.423 1.981 0.649 0.459 0.967 0.672 CB 1.243 61 residues pruned to eliminate duplicates Z: 14 13.896 1.839 0.552 0.804 0.923 0.692 CB 1.122 14 residues pruned to eliminate duplicates Z: 28 19.145 1.948 0.608 0.487 0.889 0.704 CB 1.340 23 residues pruned to eliminate duplicates 457 residues left after pruning, divided into chains as follows: A: 217 B: 17 C: 162 D: 61 CC for partial structure against native data = 41.90 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.675, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.786, Connect. = 0.778 for dens.mod. cycle 2 = 0.300, Contrast = 0.930, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.958, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.976, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.980, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.984, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.983, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.982, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.980, Connect. = 0.803 for dens.mod. cycle 10 TimeTaking 216.52