null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:39:38 on 15 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 = 0.300, Contrast = 0.343, Connect. = 0.663 for dens.mod. cycle 1 = 0.300, Contrast = 0.465, Connect. = 0.695 for dens.mod. cycle 2 = 0.300, Contrast = 0.707, Connect. = 0.752 for dens.mod. cycle 3 = 0.300, Contrast = 0.825, Connect. = 0.772 for dens.mod. cycle 4 = 0.300, Contrast = 0.895, Connect. = 0.785 for dens.mod. cycle 5 = 0.300, Contrast = 0.940, Connect. = 0.793 for dens.mod. cycle 6 = 0.300, Contrast = 0.968, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.987, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.997, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 1.003, 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 534 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 24.520 2.112 1.040 0.874 0.909 0.636 CB 1.374 B: 18 18.600 1.987 0.673 0.689 0.882 0.765 CB 1.293 C: 7 13.159 1.798 0.595 0.861 1.000 0.833 CB 1.377 D: 16 19.763 1.840 0.595 0.905 0.933 0.867 CB 1.326 E: 12 20.197 1.849 0.677 0.899 1.000 0.818 CB 1.404 F: 27 21.891 1.959 0.751 0.604 0.923 0.808 CB 1.228 14 residues pruned to eliminate duplicates G: 12 24.981 2.113 0.771 0.788 0.909 0.727 CB 1.719 H: 11 22.981 1.975 0.605 0.917 1.000 0.800 CA 1.618 I: 12 31.339 2.076 1.264 0.931 1.000 0.909 CB 1.405 J: 22 25.184 1.970 0.687 0.809 0.952 0.714 CB 1.326 K: 13 33.800 2.005 1.219 0.910 1.000 0.917 CA 1.555 12 residues pruned to eliminate duplicates L: 12 9.847 1.901 0.702 0.243 0.909 0.727 CB 1.357 M: 13 16.832 1.740 0.739 0.769 1.000 0.583 CB 1.266 13 residues pruned to eliminate duplicates N: 24 15.284 1.910 0.661 0.464 0.870 0.565 CB 1.198 O: 14 22.735 1.838 0.857 0.846 0.923 0.769 CA 1.487 12 residues pruned to eliminate duplicates P: 21 19.578 1.915 0.650 0.763 0.800 0.550 CB 1.371 12 residues pruned to eliminate duplicates Q: 12 6.961 1.792 0.517 0.348 0.636 0.364 N 1.430 R: 53 37.215 1.889 0.913 0.618 0.923 0.615 CB 1.384 S: 11 23.796 1.980 0.786 0.839 1.000 0.900 CA 1.589 10 residues pruned to eliminate duplicates T: 20 21.333 2.032 0.942 0.526 0.789 0.579 CB 1.530 7 residues pruned to eliminate duplicates U: 17 17.075 1.920 0.746 0.421 1.000 0.750 CB 1.382 V: 22 23.934 1.872 0.635 0.802 1.000 0.762 CB 1.310 W: 16 27.427 1.923 1.126 0.855 0.933 0.467 CB 1.369 X: 11 18.952 2.045 0.661 0.821 0.800 0.500 CB 1.669 11 residues pruned to eliminate duplicates Y: 19 30.083 1.968 0.907 0.890 1.000 0.889 CB 1.359 19 residues pruned to eliminate duplicates Z: 8 11.868 1.825 1.117 0.628 0.857 0.571 CB 1.201 11 residues pruned to eliminate duplicates Z: 32 20.697 1.921 0.811 0.475 0.871 0.484 CB 1.258 20 residues pruned to eliminate duplicates Z: 15 26.917 2.090 0.872 0.841 0.929 0.929 CB 1.477 15 residues pruned to eliminate duplicates Z: 15 21.499 1.971 0.792 0.837 0.857 0.643 CB 1.419 15 residues pruned to eliminate duplicates Z: 27 19.400 1.720 0.753 0.725 0.923 0.654 CB 1.116 23 residues pruned to eliminate duplicates Z: 19 27.540 1.919 0.974 0.887 1.000 0.722 CB 1.235 22 residues pruned to eliminate duplicates Z: 83 45.674 2.024 0.946 0.571 0.829 0.610 CB 1.442 61 residues pruned to eliminate duplicates Z: 15 26.785 2.088 1.004 0.848 0.929 0.857 CB 1.366 16 residues pruned to eliminate duplicates Z: 50 36.045 1.889 0.860 0.642 0.939 0.612 CB 1.368 50 residues pruned to eliminate duplicates Z: 15 21.644 2.035 0.797 0.629 0.857 0.643 CB 1.635 11 residues pruned to eliminate duplicates Z: 21 26.534 1.986 0.618 0.831 1.000 0.800 CB 1.387 22 residues pruned to eliminate duplicates Z: 12 27.798 2.068 1.044 0.882 1.000 0.818 CB 1.435 12 residues pruned to eliminate duplicates Z: 27 18.487 1.925 0.723 0.558 0.885 0.654 CB 1.168 28 residues pruned to eliminate duplicates Z: 12 23.805 2.026 1.028 0.832 0.909 0.636 CB 1.443 12 residues pruned to eliminate duplicates Z: 12 27.577 1.986 0.877 0.901 1.000 0.909 N 1.592 13 residues pruned to eliminate duplicates Z: 21 23.286 1.989 0.804 0.774 0.950 0.500 CB 1.199 21 residues pruned to eliminate duplicates Z: 13 26.477 1.936 1.165 0.858 1.000 0.500 CB 1.343 13 residues pruned to eliminate duplicates Z: 11 21.190 1.941 0.705 0.863 0.900 0.800 CB 1.651 12 residues pruned to eliminate duplicates Z: 10 15.347 1.860 0.632 0.852 1.000 0.778 CB 1.246 10 residues pruned to eliminate duplicates Z: 11 4.805 1.667 0.358 0.284 0.800 0.300 CB 1.070 Z: 11 7.770 1.781 0.716 0.287 0.700 0.400 O 1.459 11 residues pruned to eliminate duplicates Z: 14 25.740 1.996 0.674 0.872 1.000 0.846 CB 1.557 14 residues pruned to eliminate duplicates Z: 19 26.035 1.930 0.850 0.909 0.944 0.833 CB 1.292 19 residues pruned to eliminate duplicates Z: 8 15.887 1.944 1.066 0.631 0.857 0.714 CB 1.542 8 residues pruned to eliminate duplicates Z: 22 21.820 1.907 0.976 0.803 0.857 0.667 CB 1.131 22 residues pruned to eliminate duplicates Z: 18 25.153 1.960 0.746 0.890 0.941 0.882 CB 1.362 18 residues pruned to eliminate duplicates Z: 14 28.333 1.830 1.016 0.894 1.000 0.692 N 1.528 12 residues pruned to eliminate duplicates Z: 12 30.289 2.100 0.986 0.889 1.000 0.818 CB 1.576 12 residues pruned to eliminate duplicates Z: 14 23.237 1.921 1.088 0.892 0.846 0.538 CB 1.364 14 residues pruned to eliminate duplicates Z: 19 29.081 1.952 0.920 0.885 1.000 0.944 CB 1.320 19 residues pruned to eliminate duplicates Z: 14 10.500 1.778 0.937 0.459 0.846 0.769 CB 1.042 Z: 14 20.364 1.990 0.860 0.834 0.923 0.692 CB 1.239 14 residues pruned to eliminate duplicates Z: 15 20.382 1.823 0.895 0.898 0.929 0.857 CB 1.215 15 residues pruned to eliminate duplicates Z: 14 17.614 1.988 0.876 0.528 1.000 0.692 CB 1.274 14 residues pruned to eliminate duplicates Z: 29 15.774 1.844 0.284 0.484 0.929 0.643 CB 1.379 18 residues pruned to eliminate duplicates Z: 20 26.257 1.918 0.935 0.848 0.895 0.632 CB 1.346 20 residues pruned to eliminate duplicates Z: 11 24.593 1.978 0.684 0.875 1.000 0.800 CB 1.699 11 residues pruned to eliminate duplicates Z: 12 21.914 1.954 0.746 0.885 1.000 0.909 CB 1.398 9 residues pruned to eliminate duplicates Z: 14 29.672 1.846 1.212 0.916 1.000 0.769 CB 1.424 14 residues pruned to eliminate duplicates Z: 20 28.107 1.892 0.750 0.908 1.000 0.895 CB 1.383 20 residues pruned to eliminate duplicates Z: 21 24.122 2.004 0.672 0.813 0.950 0.850 CB 1.291 21 residues pruned to eliminate duplicates Z: 55 27.765 1.978 0.642 0.545 0.907 0.685 CB 1.227 55 residues pruned to eliminate duplicates Z: 10 20.462 2.006 0.568 0.868 1.000 0.778 CB 1.585 10 residues pruned to eliminate duplicates Z: 36 33.811 2.034 1.041 0.559 0.857 0.629 CB 1.516 36 residues pruned to eliminate duplicates Z: 17 21.755 1.889 0.885 0.543 0.938 0.625 CB 1.562 12 residues pruned to eliminate duplicates Z: 15 25.286 1.815 0.915 0.906 0.929 0.786 CB 1.489 15 residues pruned to eliminate duplicates Z: 21 24.755 1.848 0.617 0.849 1.000 0.700 CB 1.373 21 residues pruned to eliminate duplicates Z: 15 21.909 1.866 0.575 0.892 1.000 0.857 CB 1.431 15 residues pruned to eliminate duplicates Z: 15 14.859 1.878 1.019 0.525 0.929 0.786 CB 1.100 15 residues pruned to eliminate duplicates Z: 52 33.664 1.888 0.850 0.658 0.922 0.608 CB 1.264 52 residues pruned to eliminate duplicates Z: 14 27.949 2.090 0.924 0.896 0.923 0.769 CB 1.496 14 residues pruned to eliminate duplicates Z: 11 35.043 2.055 1.543 0.904 1.000 0.800 CB 1.510 11 residues pruned to eliminate duplicates Z: 44 23.692 1.935 0.730 0.535 0.814 0.512 CB 1.281 37 residues pruned to eliminate duplicates Z: 7 8.412 1.897 0.950 0.737 0.833 0.667 CB 0.901 7 residues pruned to eliminate duplicates Z: 8 7.845 1.722 1.068 0.488 0.714 0.571 CB 1.179 Z: 7 6.335 1.928 0.679 0.525 0.833 0.333 CB 0.935 Z: 14 17.512 1.868 0.934 0.549 0.846 0.692 CB 1.514 14 residues pruned to eliminate duplicates Z: 7 3.662 1.609 0.729 0.273 0.667 0.500 CB 1.043 5 residues pruned to eliminate duplicates Z: 15 18.515 1.837 0.721 0.884 0.929 0.857 CB 1.218 Z: 17 20.903 1.809 0.912 0.757 0.875 0.500 CB 1.373 17 residues pruned to eliminate duplicates Z: 28 16.552 1.853 0.769 0.424 0.852 0.630 CB 1.234 19 residues pruned to eliminate duplicates Z: 6 14.412 1.940 0.776 0.867 1.000 0.800 CA 1.369 6 residues pruned to eliminate duplicates Z: 12 18.070 1.972 0.897 0.862 0.818 0.636 CB 1.307 12 residues pruned to eliminate duplicates Z: 16 24.513 1.888 0.920 0.897 0.933 0.867 CB 1.340 16 residues pruned to eliminate duplicates Z: 19 26.475 1.989 0.840 0.861 1.000 0.833 CB 1.253 19 residues pruned to eliminate duplicates Z: 11 17.889 2.032 1.164 0.608 0.800 0.700 CB 1.451 11 residues pruned to eliminate duplicates Z: 12 17.391 1.755 0.815 0.845 1.000 0.727 CB 1.224 12 residues pruned to eliminate duplicates Z: 59 34.160 1.918 0.843 0.533 0.914 0.586 CB 1.344 44 residues pruned to eliminate duplicates Z: 11 6.771 1.785 0.428 0.429 0.800 0.600 CB 1.130 Z: 16 22.020 1.954 0.760 0.829 0.933 0.867 CB 1.332 16 residues pruned to eliminate duplicates Z: 15 24.734 2.054 0.909 0.840 0.929 0.857 CB 1.356 15 residues pruned to eliminate duplicates Z: 7 9.481 1.797 1.120 0.620 0.833 0.667 N 1.089 Z: 14 29.026 1.947 0.981 0.871 1.000 0.769 CB 1.523 14 residues pruned to eliminate duplicates Z: 12 27.469 2.105 0.814 0.918 1.000 0.909 CB 1.530 12 residues pruned to eliminate duplicates Z: 15 21.473 1.752 0.920 0.865 0.929 0.714 CB 1.346 15 residues pruned to eliminate duplicates Z: 19 32.773 1.935 0.924 0.914 1.000 0.833 CB 1.467 18 residues pruned to eliminate duplicates Z: 18 28.778 1.875 1.140 0.926 1.000 0.882 CB 1.220 18 residues pruned to eliminate duplicates Z: 32 20.844 1.854 0.617 0.579 0.839 0.677 CB 1.380 13 residues pruned to eliminate duplicates Z: 12 26.418 1.921 0.990 0.928 1.000 0.909 CB 1.460 23 residues pruned to eliminate duplicates Z: 19 32.057 1.889 1.202 0.929 1.000 0.722 CB 1.271 19 residues pruned to eliminate duplicates Z: 18 21.795 1.867 0.912 0.749 0.824 0.588 CB 1.439 18 residues pruned to eliminate duplicates Z: 11 20.282 1.733 0.840 0.871 1.000 0.700 O 1.468 10 residues pruned to eliminate duplicates Z: 15 18.454 1.872 0.445 0.909 0.929 0.857 CB 1.393 15 residues pruned to eliminate duplicates Z: 21 22.441 2.012 0.573 0.794 0.950 0.850 CB 1.289 21 residues pruned to eliminate duplicates Z: 16 10.846 1.949 0.583 0.395 0.800 0.667 CB 1.268 17 residues pruned to eliminate duplicates Z: 23 11.266 1.809 0.655 0.367 0.864 0.545 CB 1.072 22 residues pruned to eliminate duplicates Z: 12 25.186 1.912 0.909 0.838 1.000 0.818 CA 1.554 12 residues pruned to eliminate duplicates Z: 20 22.916 1.864 0.722 0.748 0.895 0.526 CB 1.467 20 residues pruned to eliminate duplicates Z: 19 23.951 2.037 0.926 0.779 0.944 0.556 CB 1.191 19 residues pruned to eliminate duplicates Z: 26 17.026 1.916 0.672 0.549 0.880 0.520 CB 1.151 31 residues pruned to eliminate duplicates Z: 12 12.741 1.875 0.481 0.851 0.909 0.818 CB 1.126 14 residues pruned to eliminate duplicates Z: 15 24.112 1.895 1.074 0.909 0.929 0.714 CB 1.253 15 residues pruned to eliminate duplicates Z: 14 25.341 1.987 1.131 0.819 0.923 0.615 CB 1.363 14 residues pruned to eliminate duplicates Z: 93 36.461 1.891 0.712 0.471 0.859 0.565 CB 1.409 72 residues pruned to eliminate duplicates Z: 10 12.328 1.898 0.332 0.863 0.889 0.778 CB 1.342 14 residues pruned to eliminate duplicates Z: 43 33.064 1.940 0.947 0.623 0.881 0.714 CB 1.365 43 residues pruned to eliminate duplicates Z: 13 23.199 1.935 0.792 0.867 1.000 0.833 CB 1.413 13 residues pruned to eliminate duplicates Z: 8 11.621 1.709 0.849 0.759 1.000 0.571 N 1.104 8 residues pruned to eliminate duplicates Z: 17 19.624 1.813 0.595 0.805 0.938 0.625 CB 1.388 17 residues pruned to eliminate duplicates Z: 8 11.156 1.947 0.538 0.635 0.857 0.857 CB 1.447 Z: 22 22.511 1.953 0.876 0.686 0.952 0.857 CB 1.187 22 residues pruned to eliminate duplicates Z: 7 7.985 2.165 0.428 0.489 0.667 0.667 CB 1.599 7 residues pruned to eliminate duplicates Z: 20 30.147 1.927 1.022 0.844 0.947 0.737 CB 1.394 20 residues pruned to eliminate duplicates Z: 12 18.078 1.916 0.598 0.905 1.000 0.909 CA 1.267 12 residues pruned to eliminate duplicates Z: 19 28.455 1.967 1.024 0.902 0.944 0.889 CB 1.272 19 residues pruned to eliminate duplicates Z: 19 21.305 1.745 0.837 0.770 0.889 0.389 CB 1.387 19 residues pruned to eliminate duplicates Z: 21 29.083 1.812 0.867 0.878 0.950 0.850 CB 1.468 21 residues pruned to eliminate duplicates Z: 15 12.707 1.781 0.700 0.570 0.786 0.571 CB 1.334 15 residues pruned to eliminate duplicates Z: 15 18.912 1.679 0.739 0.839 0.929 0.857 CA 1.392 15 residues pruned to eliminate duplicates Z: 21 17.663 1.969 0.494 0.803 0.900 0.800 CB 1.144 21 residues pruned to eliminate duplicates Z: 8 10.965 1.715 0.492 0.652 1.000 0.571 N 1.406 8 residues pruned to eliminate duplicates Z: 16 13.277 1.885 0.697 0.388 0.867 0.600 CB 1.392 16 residues pruned to eliminate duplicates Z: 12 20.059 1.836 0.885 0.857 1.000 0.727 CB 1.288 12 residues pruned to eliminate duplicates Z: 54 25.931 1.944 0.793 0.447 0.868 0.566 CB 1.244 50 residues pruned to eliminate duplicates Z: 15 22.242 1.891 0.813 0.886 0.929 0.857 CB 1.348 15 residues pruned to eliminate duplicates Z: 54 35.618 1.966 0.890 0.575 0.887 0.509 CB 1.382 53 residues pruned to eliminate duplicates Z: 8 9.581 1.822 0.550 0.598 0.857 0.429 CB 1.362 Z: 31 27.942 1.997 0.844 0.542 0.967 0.767 CB 1.376 15 residues pruned to eliminate duplicates Z: 55 31.680 1.974 0.799 0.508 0.944 0.630 CB 1.275 55 residues pruned to eliminate duplicates Z: 22 29.040 1.954 0.790 0.812 0.952 0.667 CB 1.450 22 residues pruned to eliminate duplicates Z: 16 27.076 1.884 0.876 0.925 0.933 0.800 CB 1.487 16 residues pruned to eliminate duplicates Z: 7 6.467 1.529 0.842 0.436 0.833 0.667 CA 1.202 Z: 14 17.779 1.820 0.944 0.917 0.923 0.692 CB 1.065 14 residues pruned to eliminate duplicates Z: 7 6.210 1.810 0.851 0.336 0.667 0.333 CB 1.358 Z: 11 21.187 2.108 1.216 0.910 1.000 0.700 CB 1.018 11 residues pruned to eliminate duplicates Z: 14 22.453 1.961 0.654 0.899 0.923 0.923 CB 1.487 14 residues pruned to eliminate duplicates Z: 35 26.550 1.953 0.845 0.623 0.824 0.676 CB 1.366 37 residues pruned to eliminate duplicates Z: 12 19.988 1.981 0.960 0.899 0.909 0.818 CB 1.220 12 residues pruned to eliminate duplicates Z: 15 26.327 1.880 0.869 0.920 1.000 0.714 CB 1.410 15 residues pruned to eliminate duplicates Z: 44 26.370 1.945 0.723 0.476 0.930 0.558 CB 1.322 44 residues pruned to eliminate duplicates Z: 19 28.762 1.918 0.744 0.909 1.000 0.833 CB 1.439 19 residues pruned to eliminate duplicates Z: 12 19.660 1.849 0.622 0.838 0.909 0.727 CA 1.626 12 residues pruned to eliminate duplicates Z: 13 25.827 1.947 1.224 0.914 0.917 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 8 9.090 1.951 0.721 0.772 0.571 0.571 CB 1.408 8 residues pruned to eliminate duplicates Z: 52 23.971 1.857 0.988 0.385 0.882 0.647 CB 1.165 38 residues pruned to eliminate duplicates Z: 14 18.234 1.905 0.686 0.755 0.923 0.692 CA 1.359 14 residues pruned to eliminate duplicates Z: 22 11.858 1.880 0.553 0.421 0.952 0.524 CB 1.011 22 residues pruned to eliminate duplicates Z: 6 7.232 1.850 0.633 0.513 0.800 0.600 CB 1.321 6 residues pruned to eliminate duplicates Z: 7 12.172 1.829 0.805 0.755 1.000 0.667 CB 1.199 7 residues pruned to eliminate duplicates Z: 15 29.965 1.899 1.174 0.921 0.929 0.571 CB 1.470 15 residues pruned to eliminate duplicates Z: 16 20.679 1.976 0.912 0.578 0.867 0.533 CB 1.512 16 residues pruned to eliminate duplicates Z: 51 26.132 1.949 0.704 0.419 0.900 0.600 CB 1.345 51 residues pruned to eliminate duplicates Z: 18 18.979 1.971 0.462 0.843 0.941 0.882 CB 1.265 18 residues pruned to eliminate duplicates Z: 15 30.105 1.969 0.992 0.897 1.000 0.857 CB 1.468 15 residues pruned to eliminate duplicates Z: 19 29.861 1.904 1.376 0.878 0.889 0.556 CB 1.270 19 residues pruned to eliminate duplicates Z: 54 34.746 1.973 0.870 0.583 0.906 0.679 CB 1.319 56 residues pruned to eliminate duplicates Z: 13 30.179 2.106 1.014 0.884 1.000 0.833 CB 1.484 13 residues pruned to eliminate duplicates Z: 20 19.202 1.788 0.565 0.696 0.895 0.632 CB 1.471 20 residues pruned to eliminate duplicates Z: 21 31.599 2.022 0.860 0.828 0.950 0.700 CB 1.489 21 residues pruned to eliminate duplicates Z: 20 11.159 1.835 0.571 0.362 0.789 0.474 CB 1.304 20 residues pruned to eliminate duplicates Z: 11 11.658 1.856 0.787 0.436 0.900 0.600 CB 1.319 11 residues pruned to eliminate duplicates Z: 32 24.616 1.982 0.808 0.556 0.871 0.613 CB 1.341 32 residues pruned to eliminate duplicates Z: 21 30.893 1.941 0.853 0.842 0.950 0.900 CB 1.507 21 residues pruned to eliminate duplicates Z: 29 26.208 1.961 0.948 0.505 0.893 0.714 CB 1.444 29 residues pruned to eliminate duplicates Z: 10 22.220 2.094 0.862 0.901 1.000 0.889 CB 1.356 10 residues pruned to eliminate duplicates Z: 11 22.299 1.905 0.869 0.863 1.000 0.800 CB 1.453 11 residues pruned to eliminate duplicates Z: 19 26.283 1.903 0.820 0.895 0.889 0.667 CB 1.443 19 residues pruned to eliminate duplicates Z: 15 6.028 1.496 0.582 0.228 0.857 0.429 CB 1.090 Z: 12 22.434 1.977 0.727 0.809 0.909 0.818 CA 1.664 12 residues pruned to eliminate duplicates Z: 8 13.278 1.932 0.781 0.682 0.857 0.857 CB 1.440 8 residues pruned to eliminate duplicates Z: 16 19.451 1.769 0.579 0.905 0.933 0.667 CB 1.371 16 residues pruned to eliminate duplicates Z: 23 30.100 1.938 1.054 0.773 0.909 0.545 CB 1.393 23 residues pruned to eliminate duplicates Z: 6 9.764 2.070 0.751 0.462 0.800 0.800 CB 1.565 6 residues pruned to eliminate duplicates Z: 10 23.903 1.968 0.643 0.911 1.000 0.778 CB 1.747 10 residues pruned to eliminate duplicates Z: 20 20.472 1.807 1.087 0.820 0.895 0.263 CB 1.054 20 residues pruned to eliminate duplicates Z: 12 23.042 1.877 0.917 0.910 1.000 0.636 CB 1.370 12 residues pruned to eliminate duplicates Z: 35 33.968 1.945 1.007 0.673 0.912 0.588 CB 1.395 34 residues pruned to eliminate duplicates Z: 19 22.983 1.822 0.819 0.773 0.944 0.500 CB 1.359 19 residues pruned to eliminate duplicates Z: 9 5.096 1.817 0.665 0.366 0.750 0.625 CB 0.917 Z: 7 4.205 1.638 0.325 0.250 0.833 0.333 CB 1.266 Z: 14 21.804 1.882 1.259 0.902 0.923 0.769 CB 1.099 14 residues pruned to eliminate duplicates Z: 44 29.912 1.993 0.793 0.521 0.930 0.674 CB 1.344 44 residues pruned to eliminate duplicates Z: 7 9.555 1.696 0.602 0.655 1.000 0.333 CA 1.243 Z: 20 23.769 1.823 0.689 0.716 0.947 0.474 CB 1.536 20 residues pruned to eliminate duplicates Z: 17 25.816 1.698 0.922 0.855 1.000 0.562 N 1.460 17 residues pruned to eliminate duplicates Z: 15 24.809 1.912 0.704 0.886 1.000 0.786 CB 1.469 15 residues pruned to eliminate duplicates Z: 6 2.406 1.560 0.783 0.291 0.600 0.400 CB 0.815 6 residues pruned to eliminate duplicates Z: 12 16.102 1.761 0.634 0.806 1.000 0.909 CB 1.292 12 residues pruned to eliminate duplicates Z: 14 17.299 2.017 0.883 0.577 0.769 0.692 CB 1.524 14 residues pruned to eliminate duplicates Z: 7 14.265 1.817 0.579 0.771 1.000 0.667 CB 1.597 7 residues pruned to eliminate duplicates Z: 23 11.282 1.753 0.556 0.309 0.909 0.591 CB 1.200 23 residues pruned to eliminate duplicates Z: 7 4.525 1.731 0.719 0.577 0.833 0.833 CB 0.692 Z: 6 11.234 1.845 1.355 0.555 0.800 0.800 CB 1.369 5 residues pruned to eliminate duplicates Z: 16 29.376 2.154 0.960 0.652 0.867 0.733 CB 1.799 17 residues pruned to eliminate duplicates Z: 9 9.635 1.900 0.749 0.648 0.750 0.500 CB 1.191 9 residues pruned to eliminate duplicates Z: 13 6.519 1.583 0.845 0.414 0.833 0.500 CB 0.846 13 residues pruned to eliminate duplicates Z: 41 25.125 1.948 0.987 0.524 0.825 0.600 CB 1.215 41 residues pruned to eliminate duplicates Z: 13 20.137 1.929 0.559 0.915 1.000 0.917 CB 1.366 13 residues pruned to eliminate duplicates Z: 20 23.455 2.013 0.568 0.817 1.000 0.789 CB 1.294 20 residues pruned to eliminate duplicates Z: 7 13.818 1.846 0.651 0.717 1.000 1.000 O 1.521 Z: 10 24.630 1.925 0.811 0.896 1.000 1.000 CB 1.686 10 residues pruned to eliminate duplicates Z: 28 21.295 1.872 1.026 0.592 0.815 0.519 CB 1.215 28 residues pruned to eliminate duplicates Z: 11 20.714 1.937 0.648 0.905 1.000 0.900 CB 1.460 17 residues pruned to eliminate duplicates Z: 66 38.730 2.006 0.927 0.514 0.892 0.631 CB 1.374 66 residues pruned to eliminate duplicates Z: 7 7.083 1.660 0.438 0.679 0.833 0.667 N 1.233 7 residues pruned to eliminate duplicates Z: 14 33.025 2.091 1.161 0.918 1.000 0.692 CB 1.429 14 residues pruned to eliminate duplicates Z: 20 22.843 2.005 0.611 0.815 0.947 0.789 CB 1.303 20 residues pruned to eliminate duplicates Z: 14 17.769 1.806 0.926 0.892 1.000 0.615 CB 1.018 14 residues pruned to eliminate duplicates Z: 12 13.708 1.877 0.554 0.817 0.909 0.727 CB 1.184 12 residues pruned to eliminate duplicates Z: 19 26.513 1.983 0.816 0.728 0.944 0.778 CB 1.497 19 residues pruned to eliminate duplicates Z: 21 21.596 1.999 0.679 0.797 0.900 0.750 CB 1.233 21 residues pruned to eliminate duplicates Z: 30 23.266 1.914 0.756 0.609 0.862 0.655 CB 1.346 31 residues pruned to eliminate duplicates Z: 9 2.944 1.630 0.587 0.411 0.750 0.750 CB 0.589 Z: 6 7.650 1.558 0.800 0.716 0.800 0.400 O 1.254 6 residues pruned to eliminate duplicates Z: 17 24.687 1.830 1.004 0.824 0.938 0.500 CB 1.356 17 residues pruned to eliminate duplicates Z: 23 12.567 1.806 0.763 0.335 0.727 0.318 CB 1.387 21 residues pruned to eliminate duplicates Z: 42 21.918 1.891 0.878 0.407 0.829 0.585 CB 1.281 42 residues pruned to eliminate duplicates Z: 6 5.845 1.573 0.758 0.480 1.000 0.600 CB 0.964 Z: 30 22.055 1.942 0.825 0.503 0.862 0.724 CB 1.336 30 residues pruned to eliminate duplicates Z: 6 10.443 1.767 0.835 0.861 1.000 1.000 CB 1.059 6 residues pruned to eliminate duplicates Z: 12 20.954 1.899 1.033 0.831 1.000 0.636 CB 1.229 12 residues pruned to eliminate duplicates Z: 20 31.217 1.960 1.131 0.735 0.895 0.526 CA 1.552 19 residues pruned to eliminate duplicates Z: 31 24.236 1.857 0.760 0.586 1.000 0.633 CB 1.247 34 residues pruned to eliminate duplicates Z: 9 6.962 1.588 0.284 0.745 0.875 0.500 CB 1.109 9 residues pruned to eliminate duplicates Z: 19 15.038 1.830 0.747 0.470 0.944 0.611 CB 1.209 19 residues pruned to eliminate duplicates Z: 14 18.793 1.825 0.863 0.856 0.923 0.769 CB 1.225 14 residues pruned to eliminate duplicates Z: 24 24.255 1.842 0.867 0.729 0.826 0.652 CB 1.449 24 residues pruned to eliminate duplicates Z: 16 19.417 1.896 0.458 0.711 1.000 0.667 CB 1.497 16 residues pruned to eliminate duplicates Z: 8 2.974 1.706 0.442 0.324 0.714 0.571 CB 0.776 8 residues pruned to eliminate duplicates Z: 42 27.556 1.933 0.919 0.450 0.976 0.707 CB 1.252 42 residues pruned to eliminate duplicates Z: 12 15.717 2.055 0.939 0.668 0.636 0.455 CB 1.600 12 residues pruned to eliminate duplicates Z: 18 25.935 1.994 1.082 0.643 0.882 0.765 CB 1.503 18 residues pruned to eliminate duplicates Z: 20 23.017 1.815 0.708 0.704 1.000 0.737 CB 1.415 20 residues pruned to eliminate duplicates Z: 12 17.373 1.723 0.719 0.830 0.909 0.636 N 1.463 12 residues pruned to eliminate duplicates Z: 11 22.614 2.004 0.989 0.717 1.000 0.600 CA 1.475 11 residues pruned to eliminate duplicates Z: 13 7.599 1.941 0.461 0.420 0.583 0.417 CB 1.441 13 residues pruned to eliminate duplicates Z: 9 10.291 1.774 0.454 0.633 0.875 0.750 CB 1.423 9 residues pruned to eliminate duplicates Z: 19 22.122 1.823 0.772 0.709 0.889 0.556 CB 1.503 19 residues pruned to eliminate duplicates Z: 8 4.032 1.607 0.651 0.283 0.714 0.429 CB 1.028 Z: 37 31.832 1.958 0.907 0.587 0.944 0.722 CB 1.384 56 residues pruned to eliminate duplicates Z: 53 39.954 1.890 0.831 0.688 0.962 0.654 CB 1.401 60 residues pruned to eliminate duplicates Z: 6 4.323 1.953 0.479 0.393 0.600 0.600 CB 1.249 Z: 19 25.315 1.844 1.031 0.745 0.889 0.611 CB 1.439 19 residues pruned to eliminate duplicates Z: 53 36.855 1.983 0.805 0.655 0.942 0.615 CB 1.312 44 residues pruned to eliminate duplicates Z: 31 22.702 1.952 0.704 0.636 0.933 0.733 CB 1.176 31 residues pruned to eliminate duplicates Z: 14 15.498 1.726 0.714 0.828 0.846 0.615 CB 1.293 14 residues pruned to eliminate duplicates Z: 8 11.005 1.749 0.795 0.673 0.857 0.571 CB 1.318 8 residues pruned to eliminate duplicates Z: 20 31.232 1.906 1.179 0.907 0.947 0.842 CB 1.294 20 residues pruned to eliminate duplicates Z: 39 29.566 1.911 0.762 0.654 0.921 0.711 CB 1.340 39 residues pruned to eliminate duplicates Z: 9 8.222 1.663 0.847 0.630 0.875 0.750 CB 0.957 9 residues pruned to eliminate duplicates Z: 7 4.705 1.636 0.299 0.680 0.833 0.833 CB 0.919 7 residues pruned to eliminate duplicates Z: 18 12.520 1.774 0.739 0.640 0.824 0.294 CB 1.048 18 residues pruned to eliminate duplicates Z: 18 20.772 1.916 0.668 0.874 0.941 0.765 CB 1.219 18 residues pruned to eliminate duplicates Z: 12 13.213 1.800 0.653 0.853 0.909 0.727 CB 1.089 12 residues pruned to eliminate duplicates Z: 25 14.305 1.860 0.537 0.438 0.875 0.708 CB 1.245 25 residues pruned to eliminate duplicates Z: 12 12.647 1.860 0.459 0.830 1.000 0.727 CB 1.056 12 residues pruned to eliminate duplicates Z: 31 24.037 1.921 0.965 0.548 0.867 0.567 CB 1.280 37 residues pruned to eliminate duplicates Z: 13 23.158 1.944 0.860 0.892 1.000 0.833 CB 1.328 13 residues pruned to eliminate duplicates Z: 46 33.523 1.874 0.953 0.642 0.911 0.622 CB 1.312 46 residues pruned to eliminate duplicates Z: 9 10.732 1.634 0.637 0.668 0.875 0.500 CB 1.388 9 residues pruned to eliminate duplicates Z: 12 12.715 1.766 0.579 0.811 0.909 0.727 CB 1.154 12 residues pruned to eliminate duplicates Z: 27 16.615 1.878 0.794 0.341 0.846 0.538 CB 1.359 27 residues pruned to eliminate duplicates Z: 22 30.841 1.987 1.122 0.757 0.905 0.619 CB 1.403 22 residues pruned to eliminate duplicates Z: 15 26.270 1.985 0.854 0.884 1.000 0.929 CB 1.379 15 residues pruned to eliminate duplicates Z: 8 7.649 1.920 0.455 0.704 0.857 0.571 CB 1.002 8 residues pruned to eliminate duplicates Z: 30 22.140 1.876 0.870 0.482 0.862 0.552 CB 1.384 30 residues pruned to eliminate duplicates Z: 16 9.493 1.707 0.684 0.457 0.800 0.533 CB 1.113 16 residues pruned to eliminate duplicates Z: 6 2.238 1.360 1.022 0.271 0.600 0.400 N 0.787 Z: 8 3.807 1.798 0.429 0.303 0.571 0.429 CB 1.221 8 residues pruned to eliminate duplicates Z: 8 2.531 1.554 0.369 0.173 0.714 0.429 CB 0.936 8 residues pruned to eliminate duplicates Z: 15 14.479 1.807 0.651 0.868 0.929 0.571 CB 1.021 15 residues pruned to eliminate duplicates Z: 9 10.939 1.618 0.662 0.810 1.000 0.875 CB 1.097 9 residues pruned to eliminate duplicates Z: 6 9.442 1.595 1.010 0.769 0.800 0.800 CB 1.297 6 residues pruned to eliminate duplicates Z: 25 20.289 1.860 0.792 0.617 0.875 0.750 CB 1.271 25 residues pruned to eliminate duplicates Z: 10 24.821 2.109 0.938 0.881 1.000 0.889 CB 1.466 10 residues pruned to eliminate duplicates Z: 12 24.980 1.993 0.767 0.930 1.000 1.000 CB 1.495 12 residues pruned to eliminate duplicates Z: 10 8.001 1.561 0.575 0.692 0.889 0.444 CA 1.024 10 residues pruned to eliminate duplicates Z: 54 41.159 1.982 0.908 0.672 0.943 0.660 CB 1.352 52 residues pruned to eliminate duplicates Z: 17 22.685 1.859 1.097 0.702 0.875 0.688 CB 1.384 17 residues pruned to eliminate duplicates Z: 13 14.617 1.854 0.708 0.759 0.833 0.667 CB 1.270 13 residues pruned to eliminate duplicates Z: 16 20.671 1.784 0.775 0.865 0.933 0.800 CB 1.323 16 residues pruned to eliminate duplicates Z: 57 45.428 2.042 1.077 0.638 0.911 0.714 CB 1.381 57 residues pruned to eliminate duplicates Z: 12 19.174 1.752 1.050 0.808 0.909 0.636 CB 1.354 12 residues pruned to eliminate duplicates Z: 59 27.269 1.934 0.777 0.503 0.810 0.500 CB 1.282 59 residues pruned to eliminate duplicates Z: 15 21.252 1.815 0.922 0.907 0.929 0.786 CB 1.246 15 residues pruned to eliminate duplicates Z: 12 26.133 1.998 1.057 0.889 1.000 0.818 CB 1.380 12 residues pruned to eliminate duplicates Z: 12 12.502 1.833 0.467 0.771 1.000 0.545 CB 1.103 12 residues pruned to eliminate duplicates Z: 9 2.339 1.649 0.133 0.329 0.750 0.250 CB 0.712 9 residues pruned to eliminate duplicates Z: 21 14.651 1.769 0.622 0.583 0.750 0.600 CB 1.406 21 residues pruned to eliminate duplicates Z: 12 12.559 1.687 0.770 0.807 0.818 0.818 CB 1.186 12 residues pruned to eliminate duplicates Z: 6 3.698 1.523 0.366 0.420 0.800 0.200 O 1.080 Z: 86 37.063 1.888 0.805 0.522 0.906 0.565 CB 1.274 86 residues pruned to eliminate duplicates Z: 10 14.819 1.914 0.431 0.868 1.000 0.778 CB 1.319 10 residues pruned to eliminate duplicates Z: 18 22.247 1.862 0.773 0.784 0.882 0.765 CB 1.441 18 residues pruned to eliminate duplicates Z: 37 16.019 1.821 0.647 0.370 0.750 0.611 CB 1.365 37 residues pruned to eliminate duplicates Z: 8 9.511 1.555 0.660 0.786 0.857 0.571 N 1.263 8 residues pruned to eliminate duplicates Z: 9 8.179 1.620 0.516 0.728 1.000 0.625 CB 0.959 9 residues pruned to eliminate duplicates Z: 24 29.020 2.075 0.807 0.628 0.957 0.783 CB 1.495 24 residues pruned to eliminate duplicates Z: 12 17.818 1.803 0.687 0.866 0.909 0.818 N 1.422 12 residues pruned to eliminate duplicates Z: 6 7.575 1.514 0.951 0.684 1.000 1.000 N 0.969 Z: 11 8.957 1.785 0.700 0.489 0.700 0.500 CB 1.348 11 residues pruned to eliminate duplicates Z: 11 11.738 1.740 1.147 0.809 0.800 0.400 CB 0.948 11 residues pruned to eliminate duplicates Z: 9 4.995 1.712 0.778 0.696 0.875 0.500 CB 0.554 Z: 9 15.387 1.968 0.419 0.855 1.000 0.875 CB 1.438 9 residues pruned to eliminate duplicates Z: 19 31.573 1.879 0.891 0.922 1.000 0.667 CB 1.473 19 residues pruned to eliminate duplicates Z: 6 7.603 1.772 0.542 0.616 0.800 0.600 CB 1.394 6 residues pruned to eliminate duplicates Z: 14 22.555 1.908 0.819 0.892 0.923 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 41 22.455 1.944 0.752 0.572 0.775 0.475 CB 1.255 41 residues pruned to eliminate duplicates Z: 12 20.148 1.822 1.259 0.881 1.000 0.636 CB 1.069 12 residues pruned to eliminate duplicates Z: 8 6.152 1.869 0.515 0.555 0.857 0.571 CB 0.908 8 residues pruned to eliminate duplicates Z: 11 18.363 1.790 0.876 0.857 0.900 0.700 CB 1.416 11 residues pruned to eliminate duplicates Z: 7 7.190 1.701 1.047 0.529 0.833 0.833 CB 0.983 Z: 6 4.032 1.343 0.478 0.701 0.800 0.600 CB 0.945 Z: 9 9.599 1.732 0.665 0.744 0.875 0.500 CB 1.081 9 residues pruned to eliminate duplicates Z: 12 19.148 1.771 0.880 0.830 0.909 0.818 CB 1.434 12 residues pruned to eliminate duplicates Z: 19 30.358 1.931 1.171 0.907 0.889 0.667 CB 1.365 19 residues pruned to eliminate duplicates Z: 51 37.619 1.904 0.834 0.671 0.940 0.620 CB 1.384 51 residues pruned to eliminate duplicates Z: 10 4.264 1.713 0.558 0.272 0.778 0.444 CB 0.886 10 residues pruned to eliminate duplicates Z: 14 17.348 1.912 0.496 0.837 0.923 0.769 CB 1.362 14 residues pruned to eliminate duplicates Z: 29 18.860 1.945 0.775 0.299 0.929 0.571 CB 1.391 29 residues pruned to eliminate duplicates Z: 7 4.413 1.433 0.376 0.566 1.000 0.500 N 0.857 Z: 11 8.029 1.227 0.699 0.763 1.000 0.600 N 0.964 Z: 24 16.662 1.766 0.743 0.620 0.739 0.609 CB 1.363 24 residues pruned to eliminate duplicates Z: 16 17.473 1.899 0.869 0.530 0.867 0.667 CB 1.424 16 residues pruned to eliminate duplicates Z: 7 4.266 1.507 0.393 0.357 0.833 0.167 N 1.162 Z: 18 29.304 1.951 0.894 0.901 1.000 0.824 CB 1.373 18 residues pruned to eliminate duplicates Z: 19 16.674 1.704 0.573 0.693 0.944 0.556 CB 1.302 19 residues pruned to eliminate duplicates Z: 14 20.591 1.812 0.931 0.873 1.000 0.769 CB 1.188 14 residues pruned to eliminate duplicates Z: 6 8.451 1.834 0.454 0.518 1.000 0.800 CB 1.393 Z: 6 12.373 1.527 1.157 0.868 1.000 1.000 CB 1.228 6 residues pruned to eliminate duplicates Z: 42 24.292 1.909 0.769 0.457 0.878 0.585 CB 1.337 49 residues pruned to eliminate duplicates Z: 11 13.733 1.831 0.738 0.771 0.700 0.500 CB 1.534 11 residues pruned to eliminate duplicates Z: 6 4.612 1.587 1.161 0.325 0.600 0.400 CA 1.216 Z: 15 21.880 1.716 0.913 0.916 0.929 0.857 CB 1.355 15 residues pruned to eliminate duplicates Z: 14 15.211 1.942 0.750 0.564 1.000 0.846 CB 1.167 14 residues pruned to eliminate duplicates Z: 7 5.208 1.414 0.518 0.374 1.000 0.500 CB 1.135 Z: 14 20.010 1.892 0.766 0.639 1.000 0.769 CA 1.459 14 residues pruned to eliminate duplicates Z: 9 3.459 1.571 0.219 0.405 0.750 0.500 CB 0.940 Z: 12 17.974 1.744 0.897 0.867 1.000 0.818 CB 1.198 12 residues pruned to eliminate duplicates Z: 6 10.914 1.749 1.026 0.767 0.800 0.600 CA 1.359 6 residues pruned to eliminate duplicates Z: 10 4.396 1.590 0.389 0.255 0.778 0.556 CB 1.130 Z: 9 17.415 1.840 0.863 0.655 1.000 0.750 N 1.555 11 residues pruned to eliminate duplicates Z: 9 3.094 1.439 0.665 0.242 0.750 0.500 CB 0.820 Z: 6 9.387 1.468 0.888 0.832 1.000 1.000 N 1.137 6 residues pruned to eliminate duplicates Z: 7 11.907 1.773 0.810 0.797 0.833 0.500 CB 1.402 7 residues pruned to eliminate duplicates Z: 21 23.784 1.950 1.141 0.634 0.900 0.700 CB 1.248 21 residues pruned to eliminate duplicates Z: 9 7.588 1.761 0.792 0.873 1.000 1.000 CB 0.619 Z: 14 11.757 1.829 0.809 0.385 0.769 0.615 CB 1.447 14 residues pruned to eliminate duplicates Z: 7 2.082 1.521 0.553 0.247 0.667 0.500 CB 0.723 7 residues pruned to eliminate duplicates Z: 10 3.875 1.352 0.693 0.513 0.778 0.667 N 0.716 10 residues pruned to eliminate duplicates Z: 12 20.927 1.781 0.986 0.833 1.000 0.636 CB 1.338 14 residues pruned to eliminate duplicates Z: 8 7.071 1.720 0.576 0.638 0.714 0.429 CB 1.214 8 residues pruned to eliminate duplicates 8 0.253 1.747 0.083 0.766 1.000 1.000 CB 0.040 ? Z: 6 3.438 1.702 1.028 0.576 0.600 0.600 CB 0.690 Z: 13 18.109 1.854 0.767 0.914 0.917 0.750 CA 1.231 13 residues pruned to eliminate duplicates Z: 13 5.709 1.803 0.377 0.289 0.750 0.417 CB 1.121 13 residues pruned to eliminate duplicates Z: 8 9.970 1.614 0.910 0.617 1.000 0.857 N 1.095 4 residues pruned to eliminate duplicates Z: 52 42.147 1.930 0.925 0.678 0.941 0.647 CB 1.432 53 residues pruned to eliminate duplicates Z: 13 18.404 1.807 0.872 0.893 0.917 0.750 CA 1.230 13 residues pruned to eliminate duplicates Z: 9 13.845 1.882 0.812 0.697 0.875 0.625 CB 1.371 9 residues pruned to eliminate duplicates Z: 6 2.244 1.803 1.018 0.847 1.000 1.000 CB 0.205 Z: 16 15.221 1.951 1.054 0.356 0.733 0.600 CB 1.561 16 residues pruned to eliminate duplicates Z: 22 14.237 1.809 0.564 0.463 0.857 0.762 CB 1.330 22 residues pruned to eliminate duplicates Z: 9 11.597 1.798 0.723 0.720 0.875 0.500 CB 1.240 9 residues pruned to eliminate duplicates Z: 13 21.742 1.840 1.222 0.899 0.917 0.833 CB 1.197 13 residues pruned to eliminate duplicates Z: 22 16.617 1.831 0.761 0.469 0.857 0.619 CB 1.354 22 residues pruned to eliminate duplicates Z: 58 32.340 1.924 0.916 0.531 0.877 0.596 CB 1.285 58 residues pruned to eliminate duplicates Z: 18 10.709 1.808 0.480 0.466 0.765 0.529 CB 1.314 18 residues pruned to eliminate duplicates Z: 13 20.912 1.862 1.012 0.901 1.000 0.750 CB 1.150 13 residues pruned to eliminate duplicates Z: 20 8.546 1.684 0.590 0.319 0.684 0.421 CB 1.306 20 residues pruned to eliminate duplicates Z: 27 20.875 1.909 0.774 0.531 0.808 0.654 CB 1.453 27 residues pruned to eliminate duplicates Z: 6 4.542 1.825 0.386 0.258 0.800 0.400 CB 1.323 Z: 22 19.522 1.820 0.694 0.699 0.905 0.667 CB 1.274 22 residues pruned to eliminate duplicates Z: 13 17.801 1.632 0.803 0.854 1.000 0.917 O 1.290 13 residues pruned to eliminate duplicates Z: 11 17.134 1.789 0.883 0.850 1.000 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 20 26.106 1.885 1.105 0.873 0.947 0.684 CB 1.161 20 residues pruned to eliminate duplicates Z: 6 3.673 1.524 0.562 0.432 0.800 0.600 N 0.926 6 residues pruned to eliminate duplicates Z: 8 9.115 1.737 0.807 0.602 0.857 0.714 N 1.162 8 residues pruned to eliminate duplicates Z: 20 25.896 1.884 0.937 0.808 0.842 0.421 CB 1.477 20 residues pruned to eliminate duplicates Z: 13 6.147 1.591 0.443 0.355 0.833 0.250 CB 1.085 Z: 23 21.909 1.925 0.915 0.591 0.864 0.500 CB 1.345 25 residues pruned to eliminate duplicates 482 residues left after pruning, divided into chains as follows: A: 189 B: 190 C: 51 D: 52 CC for partial structure against native data = 44.52 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.686, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.806, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.958, Connect. = 0.804 for dens.mod. cycle 3 = 0.300, Contrast = 0.988, Connect. = 0.804 for dens.mod. cycle 4 = 0.300, Contrast = 1.008, Connect. = 0.805 for dens.mod. cycle 5 = 0.300, Contrast = 1.014, Connect. = 0.805 for dens.mod. cycle 6 = 0.300, Contrast = 1.019, Connect. = 0.806 for dens.mod. cycle 7 = 0.300, Contrast = 1.019, Connect. = 0.806 for dens.mod. cycle 8 = 0.300, Contrast = 1.018, Connect. = 0.806 for dens.mod. cycle 9 = 0.300, Contrast = 1.015, Connect. = 0.807 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2294 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 510 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 23.354 2.157 0.829 0.738 0.900 0.700 CA 1.680 B: 14 22.495 1.994 0.732 0.907 0.846 0.769 CA 1.517 C: 19 26.256 1.986 0.741 0.850 0.944 0.722 CB 1.404 D: 14 16.227 2.035 0.806 0.452 0.846 0.462 CB 1.521 E: 12 23.538 2.070 0.958 0.808 0.909 0.727 CB 1.473 F: 14 20.741 1.802 0.794 0.837 0.923 0.769 CA 1.442 G: 10 28.742 2.264 0.887 0.795 1.000 1.000 CA 1.731 10 residues pruned to eliminate duplicates H: 12 24.308 1.990 0.825 0.763 1.000 0.636 CB 1.598 13 residues pruned to eliminate duplicates I: 11 16.412 1.940 0.290 0.871 0.900 0.800 CB 1.681 J: 13 34.232 2.066 1.093 0.920 1.000 0.833 N 1.609 K: 37 30.558 2.103 0.763 0.487 0.833 0.583 CB 1.671 28 residues pruned to eliminate duplicates L: 22 29.014 2.019 0.942 0.785 0.905 0.667 CB 1.388 M: 11 22.821 2.106 0.822 0.786 0.900 0.700 CA 1.625 11 residues pruned to eliminate duplicates N: 11 26.632 2.209 0.836 0.802 0.900 0.700 CB 1.772 12 residues pruned to eliminate duplicates O: 12 36.767 2.276 1.055 0.922 1.000 1.000 CB 1.667 12 residues pruned to eliminate duplicates P: 12 21.839 1.925 0.642 0.834 1.000 0.636 CA 1.562 12 residues pruned to eliminate duplicates Q: 20 18.684 2.000 0.470 0.686 1.000 0.947 CB 1.229 R: 12 29.232 2.125 0.942 0.794 1.000 0.455 CB 1.650 12 residues pruned to eliminate duplicates S: 12 24.331 1.997 0.758 0.832 1.000 0.818 N 1.569 12 residues pruned to eliminate duplicates T: 21 27.373 1.933 0.701 0.881 0.950 0.900 CB 1.419 U: 36 17.956 1.903 0.698 0.425 0.886 0.486 CB 1.147 25 residues pruned to eliminate duplicates V: 20 28.575 2.075 0.915 0.728 0.947 0.789 CB 1.418 W: 43 21.102 2.011 0.571 0.450 0.881 0.667 CB 1.232 16 residues pruned to eliminate duplicates X: 12 20.335 1.864 0.616 0.887 1.000 0.909 CB 1.467 11 residues pruned to eliminate duplicates Y: 28 19.711 1.959 0.791 0.331 0.926 0.667 CB 1.405 27 residues pruned to eliminate duplicates Z: 59 33.733 1.936 0.744 0.588 0.931 0.741 CB 1.295 21 residues pruned to eliminate duplicates Z: 13 30.818 2.061 1.102 0.879 0.917 0.750 CB 1.624 13 residues pruned to eliminate duplicates Z: 16 19.822 1.829 0.534 0.874 1.000 0.867 CB 1.328 15 residues pruned to eliminate duplicates Z: 22 25.066 2.051 0.747 0.803 0.952 0.810 CB 1.230 Z: 11 21.570 1.934 0.580 0.913 1.000 1.000 CB 1.580 Z: 22 16.414 1.985 0.538 0.607 0.857 0.762 CB 1.237 22 residues pruned to eliminate duplicates Z: 14 24.698 1.976 0.702 0.914 1.000 0.923 CB 1.440 14 residues pruned to eliminate duplicates Z: 32 15.306 1.940 0.785 0.285 0.806 0.387 CB 1.254 Z: 9 22.555 2.163 0.888 0.758 1.000 0.875 CB 1.551 Z: 16 25.088 2.057 1.018 0.821 0.867 0.800 CB 1.363 16 residues pruned to eliminate duplicates Z: 12 19.411 1.813 0.601 0.856 1.000 0.727 O 1.487 11 residues pruned to eliminate duplicates Z: 12 29.292 2.144 0.909 0.780 1.000 0.727 N 1.685 10 residues pruned to eliminate duplicates Z: 19 24.299 1.964 0.517 0.907 1.000 0.944 CB 1.366 19 residues pruned to eliminate duplicates Z: 20 13.159 1.879 0.676 0.406 0.842 0.526 CB 1.256 10 residues pruned to eliminate duplicates Z: 13 27.134 2.035 1.111 0.882 1.000 0.833 CB 1.319 14 residues pruned to eliminate duplicates Z: 19 20.194 1.882 0.854 0.551 0.944 0.722 CB 1.374 20 residues pruned to eliminate duplicates Z: 38 16.910 1.884 0.663 0.363 0.757 0.351 CB 1.359 25 residues pruned to eliminate duplicates Z: 12 27.663 2.072 1.170 0.924 0.909 0.727 CA 1.433 12 residues pruned to eliminate duplicates Z: 13 5.677 1.717 0.240 0.380 0.833 0.333 CB 1.050 Z: 18 25.733 2.012 0.677 0.894 0.882 0.882 CB 1.503 18 residues pruned to eliminate duplicates Z: 16 20.880 1.932 0.685 0.833 0.933 0.667 CB 1.331 16 residues pruned to eliminate duplicates Z: 13 26.729 2.018 0.917 0.891 0.917 0.833 CA 1.564 13 residues pruned to eliminate duplicates Z: 7 11.680 1.859 0.462 0.855 1.000 0.833 CB 1.295 Z: 13 17.102 1.900 0.637 0.859 0.917 0.833 CB 1.274 14 residues pruned to eliminate duplicates Z: 9 14.643 1.852 1.143 0.604 0.875 0.625 CB 1.350 Z: 11 15.107 1.926 0.664 0.801 0.900 0.800 CB 1.273 12 residues pruned to eliminate duplicates Z: 15 23.391 1.924 0.543 0.905 1.000 0.857 CB 1.498 15 residues pruned to eliminate duplicates Z: 21 28.206 1.929 0.604 0.943 1.000 0.850 CB 1.413 19 residues pruned to eliminate duplicates Z: 14 26.815 2.182 0.537 0.929 1.000 1.000 CB 1.552 15 residues pruned to eliminate duplicates Z: 42 30.687 2.023 0.427 0.643 0.951 0.634 CB 1.527 50 residues pruned to eliminate duplicates Z: 13 29.159 2.018 1.141 0.904 1.000 0.833 CB 1.388 13 residues pruned to eliminate duplicates Z: 15 13.210 1.777 0.354 0.846 0.929 0.786 CB 1.174 15 residues pruned to eliminate duplicates Z: 19 37.324 2.038 1.161 0.904 0.944 0.722 CB 1.506 21 residues pruned to eliminate duplicates Z: 13 17.561 1.728 0.354 0.910 1.000 0.917 O 1.536 12 residues pruned to eliminate duplicates Z: 13 22.802 2.034 1.123 0.795 1.000 0.500 CB 1.177 13 residues pruned to eliminate duplicates Z: 19 31.077 2.012 0.935 0.832 1.000 0.778 CB 1.412 19 residues pruned to eliminate duplicates Z: 16 25.069 1.962 0.739 0.909 1.000 0.800 CB 1.346 16 residues pruned to eliminate duplicates Z: 19 19.584 1.900 0.736 0.555 0.889 0.667 CB 1.493 26 residues pruned to eliminate duplicates Z: 12 29.777 2.202 0.966 0.868 1.000 0.727 CB 1.516 12 residues pruned to eliminate duplicates Z: 21 26.476 2.089 0.750 0.809 0.950 0.750 CB 1.302 20 residues pruned to eliminate duplicates Z: 116 54.266 2.092 0.725 0.532 0.904 0.670 CB 1.502 103 residues pruned to eliminate duplicates Z: 19 25.383 2.009 0.528 0.821 1.000 0.889 CB 1.475 19 residues pruned to eliminate duplicates Z: 12 27.690 2.127 1.015 0.810 0.909 0.545 CB 1.636 12 residues pruned to eliminate duplicates Z: 14 28.331 1.993 1.113 0.842 0.923 0.769 CB 1.506 14 residues pruned to eliminate duplicates Z: 20 30.125 2.011 0.974 0.798 0.947 0.789 CB 1.415 20 residues pruned to eliminate duplicates Z: 13 22.796 1.724 0.747 0.909 1.000 0.750 CB 1.551 11 residues pruned to eliminate duplicates Z: 21 25.218 1.892 0.435 0.890 1.000 0.850 CB 1.495 21 residues pruned to eliminate duplicates Z: 22 25.555 2.043 0.661 0.824 0.905 0.714 CB 1.373 22 residues pruned to eliminate duplicates Z: 13 15.268 1.779 0.615 0.788 1.000 0.583 CA 1.191 13 residues pruned to eliminate duplicates Z: 17 25.794 1.949 0.846 0.811 0.938 0.938 CB 1.459 17 residues pruned to eliminate duplicates Z: 13 14.474 2.028 0.817 0.577 0.750 0.667 CB 1.405 13 residues pruned to eliminate duplicates Z: 8 12.915 1.698 0.686 0.816 1.000 0.857 N 1.296 Z: 19 29.519 2.054 0.723 0.924 0.944 0.833 CB 1.462 19 residues pruned to eliminate duplicates Z: 17 26.808 1.781 0.963 0.878 1.000 0.750 CB 1.390 17 residues pruned to eliminate duplicates Z: 52 23.670 1.992 0.591 0.457 0.922 0.608 CB 1.186 57 residues pruned to eliminate duplicates Z: 15 23.835 1.953 0.974 0.884 0.857 0.786 CB 1.393 15 residues pruned to eliminate duplicates Z: 16 20.945 1.813 0.722 0.834 1.000 0.800 CB 1.298 16 residues pruned to eliminate duplicates Z: 55 37.348 2.056 0.815 0.559 0.944 0.593 CB 1.361 40 residues pruned to eliminate duplicates Z: 51 38.327 2.066 0.883 0.581 0.920 0.680 CB 1.401 36 residues pruned to eliminate duplicates Z: 19 23.986 2.105 0.557 0.799 0.944 0.889 CB 1.407 19 residues pruned to eliminate duplicates Z: 7 11.888 1.559 0.850 0.823 1.000 0.833 O 1.272 7 residues pruned to eliminate duplicates Z: 7 3.484 1.722 0.678 0.477 0.833 0.500 CB 0.605 Z: 21 28.035 2.115 0.607 0.785 1.000 0.800 CB 1.435 21 residues pruned to eliminate duplicates Z: 11 4.901 1.827 0.594 0.247 0.800 0.600 CB 0.891 Z: 17 10.040 1.843 0.489 0.458 0.812 0.562 CB 1.175 17 residues pruned to eliminate duplicates Z: 13 9.985 1.877 0.440 0.517 0.750 0.500 CB 1.397 Z: 34 26.480 1.954 0.775 0.579 0.879 0.545 CB 1.400 27 residues pruned to eliminate duplicates Z: 31 21.486 1.957 0.645 0.518 0.900 0.567 CB 1.330 31 residues pruned to eliminate duplicates Z: 10 6.129 1.608 0.898 0.346 0.667 0.444 CB 1.187 Z: 17 25.201 1.994 0.716 0.839 0.938 0.812 CB 1.467 17 residues pruned to eliminate duplicates Z: 22 24.067 2.057 0.575 0.756 0.905 0.619 CB 1.426 22 residues pruned to eliminate duplicates Z: 10 12.249 1.618 0.890 0.707 0.889 0.778 N 1.245 10 residues pruned to eliminate duplicates Z: 11 15.156 2.125 0.581 0.556 1.000 0.900 CB 1.351 9 residues pruned to eliminate duplicates Z: 22 26.487 2.050 0.624 0.805 0.952 0.714 CB 1.397 22 residues pruned to eliminate duplicates Z: 16 20.520 1.851 0.733 0.812 0.867 0.867 CB 1.452 16 residues pruned to eliminate duplicates Z: 21 28.367 2.019 0.916 0.785 0.950 0.650 CB 1.343 21 residues pruned to eliminate duplicates Z: 19 31.479 2.023 0.949 0.927 1.000 0.889 CB 1.319 19 residues pruned to eliminate duplicates Z: 20 31.937 1.964 0.793 0.933 1.000 0.842 CB 1.452 21 residues pruned to eliminate duplicates Z: 13 19.670 1.926 0.739 0.756 0.917 0.833 CB 1.473 13 residues pruned to eliminate duplicates Z: 20 22.656 1.991 0.806 0.796 0.947 0.789 CB 1.178 20 residues pruned to eliminate duplicates Z: 12 21.153 1.891 0.805 0.920 1.000 0.818 CB 1.316 12 residues pruned to eliminate duplicates Z: 16 22.486 1.884 0.819 0.889 1.000 0.733 CB 1.220 Z: 9 10.874 1.811 0.924 0.517 1.000 0.750 CB 1.085 Z: 52 23.929 1.975 0.634 0.448 0.902 0.647 CB 1.214 52 residues pruned to eliminate duplicates Z: 18 12.335 1.920 0.566 0.374 0.824 0.412 CB 1.383 18 residues pruned to eliminate duplicates Z: 6 6.260 1.801 0.770 0.612 0.800 0.600 CB 0.988 Z: 21 26.556 2.060 0.702 0.799 0.950 0.800 CB 1.373 21 residues pruned to eliminate duplicates Z: 55 31.665 1.940 0.754 0.593 0.889 0.704 CB 1.304 63 residues pruned to eliminate duplicates Z: 6 8.849 1.914 0.255 0.859 1.000 0.800 CA 1.212 Z: 7 5.839 1.929 0.063 0.537 1.000 1.000 CB 1.121 7 residues pruned to eliminate duplicates Z: 13 24.168 2.077 0.707 0.886 1.000 0.833 CB 1.421 13 residues pruned to eliminate duplicates Z: 53 30.184 2.019 0.769 0.552 0.885 0.673 CB 1.260 53 residues pruned to eliminate duplicates Z: 14 28.502 2.007 0.894 0.883 0.923 0.692 CB 1.629 14 residues pruned to eliminate duplicates Z: 12 20.799 2.033 0.693 0.841 0.909 0.636 CB 1.495 12 residues pruned to eliminate duplicates Z: 18 20.733 1.759 0.880 0.800 0.941 0.588 CB 1.243 18 residues pruned to eliminate duplicates Z: 17 21.637 1.914 0.491 0.857 1.000 0.875 CB 1.397 17 residues pruned to eliminate duplicates Z: 21 22.438 2.045 0.362 0.836 0.950 0.850 CB 1.420 21 residues pruned to eliminate duplicates Z: 14 19.218 1.968 0.635 0.885 0.846 0.769 CB 1.413 14 residues pruned to eliminate duplicates Z: 15 21.654 1.953 0.805 0.886 1.000 0.857 CB 1.184 31 residues pruned to eliminate duplicates Z: 13 16.532 1.959 0.549 0.869 1.000 0.917 CB 1.148 Z: 15 31.855 2.065 0.869 0.940 1.000 0.929 CB 1.531 15 residues pruned to eliminate duplicates Z: 14 25.842 1.977 0.935 0.896 0.923 0.769 CB 1.454 14 residues pruned to eliminate duplicates Z: 16 29.418 1.966 0.788 0.911 1.000 0.867 CB 1.531 16 residues pruned to eliminate duplicates Z: 40 18.399 1.894 0.689 0.461 0.769 0.564 CB 1.247 40 residues pruned to eliminate duplicates Z: 8 11.380 1.859 0.703 0.469 1.000 0.571 CB 1.401 Z: 12 22.526 2.113 0.732 0.818 0.909 0.727 CB 1.549 12 residues pruned to eliminate duplicates Z: 6 3.274 1.416 0.432 0.468 0.800 0.400 N 0.933 Z: 17 20.766 2.018 0.344 0.927 1.000 0.938 CB 1.341 17 residues pruned to eliminate duplicates Z: 18 31.550 2.036 0.825 0.930 1.000 1.000 CB 1.440 18 residues pruned to eliminate duplicates Z: 14 19.419 1.868 0.740 0.926 1.000 0.923 CB 1.162 13 residues pruned to eliminate duplicates Z: 66 36.250 2.088 0.813 0.507 0.877 0.692 CB 1.345 65 residues pruned to eliminate duplicates Z: 7 7.424 1.680 0.708 0.489 0.833 0.667 O 1.281 Z: 8 16.336 1.722 1.054 0.681 1.000 0.714 N 1.478 Z: 9 9.710 1.643 0.974 0.862 1.000 0.625 N 0.777 9 residues pruned to eliminate duplicates Z: 57 34.591 2.086 0.682 0.554 0.875 0.732 CB 1.428 57 residues pruned to eliminate duplicates Z: 8 7.842 1.826 1.239 0.506 0.714 0.714 N 1.009 Z: 45 24.804 2.032 0.654 0.461 0.909 0.659 CB 1.273 45 residues pruned to eliminate duplicates Z: 12 17.430 1.781 0.660 0.785 0.909 0.545 CB 1.521 12 residues pruned to eliminate duplicates Z: 23 14.020 1.887 0.773 0.454 0.818 0.591 CB 1.144 23 residues pruned to eliminate duplicates Z: 8 16.044 1.814 0.837 0.831 1.000 0.714 CB 1.368 8 residues pruned to eliminate duplicates Z: 44 43.406 2.112 0.801 0.721 0.907 0.698 CB 1.572 42 residues pruned to eliminate duplicates Z: 14 25.533 1.960 0.949 0.781 1.000 0.692 CB 1.447 14 residues pruned to eliminate duplicates Z: 22 31.293 2.000 0.923 0.779 0.952 0.571 CB 1.458 22 residues pruned to eliminate duplicates Z: 14 18.855 1.941 0.754 0.909 1.000 0.923 CB 1.091 13 residues pruned to eliminate duplicates Z: 52 36.962 1.981 0.864 0.631 0.922 0.686 CB 1.345 60 residues pruned to eliminate duplicates Z: 14 11.692 1.727 0.790 0.555 0.923 0.538 CB 1.077 14 residues pruned to eliminate duplicates Z: 15 16.370 1.870 0.400 0.882 0.929 0.857 CB 1.302 15 residues pruned to eliminate duplicates Z: 40 36.157 2.085 0.780 0.644 0.872 0.769 CB 1.564 40 residues pruned to eliminate duplicates Z: 16 24.596 1.879 0.877 0.860 0.933 0.933 CB 1.418 16 residues pruned to eliminate duplicates Z: 86 46.460 2.105 0.723 0.540 0.929 0.694 CB 1.437 86 residues pruned to eliminate duplicates Z: 10 8.973 1.825 0.745 0.470 0.667 0.556 N 1.452 9 residues pruned to eliminate duplicates Z: 49 31.427 1.942 0.763 0.635 0.938 0.521 CB 1.245 27 residues pruned to eliminate duplicates Z: 12 22.733 1.902 0.711 0.896 1.000 1.000 CB 1.509 12 residues pruned to eliminate duplicates Z: 9 16.584 1.630 0.834 0.860 1.000 0.875 N 1.441 9 residues pruned to eliminate duplicates Z: 11 12.228 1.997 0.680 0.417 0.900 0.700 CB 1.397 6 residues pruned to eliminate duplicates Z: 22 20.798 2.062 0.566 0.736 0.857 0.619 CB 1.327 22 residues pruned to eliminate duplicates Z: 15 22.517 1.940 0.512 0.864 1.000 0.857 CB 1.504 15 residues pruned to eliminate duplicates Z: 8 12.120 1.890 0.572 0.687 1.000 0.571 CB 1.299 8 residues pruned to eliminate duplicates Z: 8 14.015 1.793 0.575 0.766 1.000 0.571 CB 1.481 8 residues pruned to eliminate duplicates Z: 24 18.793 2.024 0.427 0.660 0.870 0.826 CB 1.346 26 residues pruned to eliminate duplicates Z: 22 25.285 2.042 0.660 0.822 0.952 0.714 CB 1.293 22 residues pruned to eliminate duplicates Z: 16 25.414 1.831 1.025 0.912 1.000 0.667 CB 1.253 16 residues pruned to eliminate duplicates Z: 21 23.961 2.037 0.877 0.665 0.900 0.800 CB 1.337 21 residues pruned to eliminate duplicates Z: 40 22.982 1.994 0.763 0.359 0.872 0.641 CB 1.398 40 residues pruned to eliminate duplicates Z: 35 24.591 2.016 0.858 0.460 0.824 0.588 CB 1.425 35 residues pruned to eliminate duplicates Z: 21 23.591 2.062 0.810 0.762 0.850 0.600 CB 1.317 21 residues pruned to eliminate duplicates Z: 12 7.217 1.838 0.313 0.365 0.909 0.545 CB 1.147 12 residues pruned to eliminate duplicates Z: 9 4.952 1.853 0.363 0.418 0.750 0.500 CB 1.006 9 residues pruned to eliminate duplicates Z: 22 16.196 1.945 0.580 0.636 0.905 0.857 CB 1.119 22 residues pruned to eliminate duplicates Z: 18 18.783 1.820 0.621 0.759 0.941 0.824 CB 1.303 20 residues pruned to eliminate duplicates Z: 39 38.750 2.108 0.774 0.716 0.947 0.789 CB 1.459 39 residues pruned to eliminate duplicates Z: 6 4.589 1.558 0.704 0.310 1.000 0.600 CB 0.955 Z: 7 9.106 1.694 0.526 0.716 0.833 0.667 CB 1.419 Z: 12 4.874 1.686 0.698 0.261 0.636 0.364 N 1.059 Z: 19 26.950 2.011 0.504 0.946 1.000 1.000 CB 1.452 19 residues pruned to eliminate duplicates Z: 38 38.472 2.025 0.912 0.662 0.973 0.784 CB 1.445 29 residues pruned to eliminate duplicates Z: 8 13.008 1.849 0.426 0.795 1.000 0.857 N 1.440 8 residues pruned to eliminate duplicates Z: 20 16.580 1.786 0.453 0.758 0.895 0.474 CB 1.302 20 residues pruned to eliminate duplicates Z: 7 4.873 1.581 0.769 0.661 0.833 0.833 CB 0.735 7 residues pruned to eliminate duplicates Z: 12 21.498 2.011 0.617 0.827 1.000 0.727 CB 1.502 12 residues pruned to eliminate duplicates Z: 10 23.000 2.088 0.480 0.908 1.000 0.889 CB 1.762 11 residues pruned to eliminate duplicates Z: 55 36.042 2.052 0.716 0.596 0.926 0.611 CB 1.373 62 residues pruned to eliminate duplicates Z: 7 5.445 1.807 0.555 0.255 0.833 0.333 CB 1.257 Z: 14 16.712 1.779 0.630 0.784 0.923 0.615 CB 1.349 14 residues pruned to eliminate duplicates Z: 13 22.117 2.006 1.005 0.875 0.833 0.833 CB 1.385 13 residues pruned to eliminate duplicates Z: 18 33.668 2.046 1.035 0.941 1.000 0.706 CB 1.361 18 residues pruned to eliminate duplicates Z: 51 49.413 2.118 0.959 0.686 0.960 0.680 CB 1.480 51 residues pruned to eliminate duplicates Z: 13 16.091 1.905 0.808 0.755 0.750 0.417 N 1.432 13 residues pruned to eliminate duplicates Z: 17 19.900 1.885 0.659 0.850 0.938 0.812 CB 1.257 17 residues pruned to eliminate duplicates Z: 12 24.297 2.102 0.974 0.872 0.909 0.909 CB 1.416 12 residues pruned to eliminate duplicates Z: 8 7.362 1.887 0.409 0.821 0.714 0.571 CB 1.109 8 residues pruned to eliminate duplicates Z: 12 13.893 2.097 0.788 0.371 0.909 0.727 CB 1.411 12 residues pruned to eliminate duplicates Z: 41 23.313 1.981 0.666 0.578 0.875 0.575 CB 1.184 41 residues pruned to eliminate duplicates Z: 12 19.633 1.898 0.755 0.810 1.000 0.727 CB 1.356 12 residues pruned to eliminate duplicates Z: 10 7.474 1.801 0.629 0.377 0.889 0.667 CB 1.090 10 residues pruned to eliminate duplicates Z: 69 31.819 2.005 0.670 0.481 0.926 0.735 CB 1.267 70 residues pruned to eliminate duplicates Z: 11 16.568 2.014 0.919 0.644 1.000 0.800 CB 1.185 11 residues pruned to eliminate duplicates Z: 21 16.726 1.979 0.627 0.518 0.850 0.600 CB 1.342 21 residues pruned to eliminate duplicates Z: 8 10.032 1.748 0.476 0.684 0.857 0.714 N 1.449 8 residues pruned to eliminate duplicates Z: 12 18.858 1.818 0.662 0.926 1.000 0.909 CB 1.320 12 residues pruned to eliminate duplicates Z: 17 8.937 1.750 0.973 0.272 0.688 0.438 CB 1.219 11 residues pruned to eliminate duplicates Z: 44 13.589 1.888 0.519 0.290 0.814 0.581 CB 1.125 44 residues pruned to eliminate duplicates Z: 53 38.207 2.046 0.930 0.574 0.904 0.596 CB 1.382 52 residues pruned to eliminate duplicates Z: 10 15.327 1.945 0.555 0.861 1.000 0.778 CB 1.241 10 residues pruned to eliminate duplicates Z: 23 30.304 1.988 1.003 0.774 0.909 0.500 CB 1.401 23 residues pruned to eliminate duplicates Z: 13 24.381 2.017 1.000 0.906 0.917 0.833 CB 1.353 13 residues pruned to eliminate duplicates Z: 17 12.409 1.917 0.636 0.392 0.812 0.312 CB 1.364 17 residues pruned to eliminate duplicates Z: 7 9.892 1.744 0.354 0.875 1.000 0.833 CA 1.243 7 residues pruned to eliminate duplicates Z: 34 22.773 2.019 0.706 0.529 0.848 0.697 CB 1.318 34 residues pruned to eliminate duplicates Z: 19 28.766 2.179 0.976 0.690 0.833 0.611 CB 1.588 19 residues pruned to eliminate duplicates Z: 11 24.249 2.124 1.079 0.667 0.900 0.600 CB 1.653 11 residues pruned to eliminate duplicates Z: 18 17.072 1.956 0.751 0.869 0.941 0.824 CB 0.938 18 residues pruned to eliminate duplicates Z: 13 16.120 1.829 0.497 0.909 1.000 0.750 CB 1.206 Z: 11 16.728 1.991 0.518 0.892 0.900 0.700 CB 1.397 11 residues pruned to eliminate duplicates Z: 28 15.338 1.879 0.767 0.437 0.852 0.444 CB 1.115 28 residues pruned to eliminate duplicates Z: 6 2.508 1.598 0.080 0.559 0.800 0.600 CB 0.766 Z: 18 27.963 1.962 1.120 0.869 0.941 0.353 CB 1.265 18 residues pruned to eliminate duplicates Z: 19 32.116 2.002 1.059 0.933 0.944 0.667 CB 1.356 19 residues pruned to eliminate duplicates Z: 14 11.485 1.820 0.250 0.723 0.923 0.692 CB 1.241 14 residues pruned to eliminate duplicates Z: 15 21.878 1.893 0.713 0.901 1.000 0.857 CB 1.288 30 residues pruned to eliminate duplicates Z: 9 8.492 1.635 0.013 0.838 1.000 0.750 CA 1.356 9 residues pruned to eliminate duplicates Z: 11 18.500 2.201 0.841 0.789 0.700 0.700 CB 1.601 11 residues pruned to eliminate duplicates Z: 6 14.487 1.871 0.907 0.796 1.000 0.800 CB 1.401 6 residues pruned to eliminate duplicates Z: 14 24.994 1.960 0.642 0.881 1.000 0.923 CB 1.560 14 residues pruned to eliminate duplicates Z: 17 30.293 2.074 0.938 0.771 0.938 0.938 CB 1.581 17 residues pruned to eliminate duplicates Z: 26 17.353 2.018 0.716 0.296 0.920 0.680 CB 1.369 26 residues pruned to eliminate duplicates Z: 15 20.135 1.873 0.864 0.853 0.929 0.714 CB 1.226 15 residues pruned to eliminate duplicates Z: 13 9.536 1.825 0.664 0.271 0.833 0.250 CB 1.410 13 residues pruned to eliminate duplicates Z: 13 21.373 1.996 0.780 0.867 0.917 0.667 CB 1.386 13 residues pruned to eliminate duplicates Z: 17 19.795 1.715 0.840 0.837 0.938 0.750 CB 1.252 15 residues pruned to eliminate duplicates Z: 11 16.989 1.918 0.334 0.818 1.000 0.700 O 1.594 11 residues pruned to eliminate duplicates Z: 14 9.450 2.007 0.528 0.392 0.769 0.462 CB 1.246 14 residues pruned to eliminate duplicates Z: 21 13.617 1.735 0.498 0.744 0.750 0.600 CB 1.256 21 residues pruned to eliminate duplicates Z: 6 5.691 1.841 0.705 0.330 0.800 0.400 CB 1.221 Z: 43 15.261 1.875 0.571 0.304 0.857 0.619 CB 1.160 43 residues pruned to eliminate duplicates Z: 19 15.265 1.976 0.560 0.472 0.778 0.667 CB 1.544 19 residues pruned to eliminate duplicates Z: 59 36.653 2.006 0.777 0.567 0.914 0.638 CB 1.385 56 residues pruned to eliminate duplicates Z: 9 13.928 1.908 0.827 0.751 0.875 0.625 CB 1.290 9 residues pruned to eliminate duplicates Z: 8 6.228 1.894 0.717 0.396 0.714 0.429 CB 1.132 7 residues pruned to eliminate duplicates Z: 11 15.810 1.923 0.522 0.809 1.000 0.800 CB 1.305 11 residues pruned to eliminate duplicates Z: 10 5.977 1.644 0.332 0.600 0.889 0.667 CB 0.931 10 residues pruned to eliminate duplicates Z: 43 26.846 1.965 0.683 0.495 0.881 0.571 CB 1.430 43 residues pruned to eliminate duplicates Z: 6 8.525 1.877 0.601 0.508 0.800 0.600 CB 1.574 11 residues pruned to eliminate duplicates Z: 15 13.278 1.849 0.654 0.723 0.786 0.571 CB 1.207 15 residues pruned to eliminate duplicates Z: 14 16.641 1.941 0.512 0.890 1.000 0.923 CB 1.132 14 residues pruned to eliminate duplicates Z: 38 22.710 1.964 0.728 0.422 0.892 0.703 CB 1.338 38 residues pruned to eliminate duplicates Z: 11 33.470 2.153 0.991 0.898 1.000 0.800 CB 1.767 11 residues pruned to eliminate duplicates Z: 22 25.429 1.822 1.105 0.815 0.952 0.429 CB 1.155 22 residues pruned to eliminate duplicates Z: 14 15.415 1.974 0.652 0.535 0.923 0.615 CB 1.373 14 residues pruned to eliminate duplicates Z: 11 25.019 1.962 0.811 0.894 1.000 0.900 CB 1.598 10 residues pruned to eliminate duplicates Z: 7 3.022 1.747 0.592 0.315 0.667 0.500 CB 0.816 Z: 7 7.309 1.737 0.542 0.727 0.833 0.667 CB 1.090 7 residues pruned to eliminate duplicates Z: 12 13.819 1.889 0.338 0.776 1.000 0.727 CB 1.292 12 residues pruned to eliminate duplicates Z: 14 12.043 1.829 0.629 0.420 0.923 0.538 CB 1.320 14 residues pruned to eliminate duplicates Z: 14 26.791 2.003 1.075 0.899 0.923 0.846 CB 1.384 14 residues pruned to eliminate duplicates Z: 6 8.437 1.950 0.012 0.853 1.000 1.000 CB 1.413 6 residues pruned to eliminate duplicates Z: 56 38.796 2.099 0.871 0.517 0.873 0.564 CB 1.501 56 residues pruned to eliminate duplicates Z: 13 29.982 2.036 1.112 0.918 1.000 0.750 CB 1.420 13 residues pruned to eliminate duplicates Z: 14 10.135 1.726 0.938 0.348 0.769 0.538 CA 1.289 7 residues pruned to eliminate duplicates Z: 7 3.434 1.649 0.521 0.249 0.833 0.500 CB 0.895 Z: 22 26.757 2.097 0.811 0.647 0.952 0.905 CB 1.408 24 residues pruned to eliminate duplicates Z: 7 7.603 1.585 1.042 0.405 1.000 0.500 CB 1.060 7 residues pruned to eliminate duplicates Z: 14 5.886 1.737 0.382 0.259 0.769 0.308 CB 1.165 6 residues pruned to eliminate duplicates Z: 21 32.189 1.894 1.045 0.923 1.000 0.900 CB 1.306 21 residues pruned to eliminate duplicates Z: 25 13.204 1.852 0.597 0.349 0.792 0.458 CB 1.356 25 residues pruned to eliminate duplicates Z: 26 12.698 1.841 0.733 0.436 0.840 0.520 CB 1.012 26 residues pruned to eliminate duplicates Z: 20 17.150 1.920 0.654 0.735 0.789 0.526 CB 1.271 20 residues pruned to eliminate duplicates Z: 19 29.687 2.185 0.862 0.681 0.944 0.778 CB 1.542 19 residues pruned to eliminate duplicates Z: 15 24.929 2.002 0.548 0.930 1.000 1.000 CB 1.503 15 residues pruned to eliminate duplicates Z: 10 5.957 1.775 0.309 0.488 0.889 0.667 CB 0.973 10 residues pruned to eliminate duplicates Z: 11 18.072 2.046 0.877 0.744 0.900 0.700 CB 1.330 11 residues pruned to eliminate duplicates Z: 12 20.987 2.141 0.898 0.742 0.727 0.636 CB 1.725 12 residues pruned to eliminate duplicates Z: 12 10.173 1.759 0.305 0.737 1.000 0.545 CB 1.080 12 residues pruned to eliminate duplicates Z: 10 5.779 1.731 0.765 0.861 1.000 0.889 CB 0.463 Z: 13 20.945 1.752 0.799 0.876 1.000 0.833 CB 1.394 13 residues pruned to eliminate duplicates Z: 25 14.134 1.813 0.493 0.504 0.833 0.667 CB 1.273 25 residues pruned to eliminate duplicates Z: 20 12.430 1.760 0.877 0.416 0.842 0.526 CB 1.120 16 residues pruned to eliminate duplicates Z: 12 11.058 1.842 0.568 0.440 0.818 0.545 CB 1.501 12 residues pruned to eliminate duplicates Z: 11 25.583 2.189 0.877 0.781 0.900 0.500 CB 1.708 11 residues pruned to eliminate duplicates Z: 8 5.188 1.977 0.401 0.830 1.000 0.714 CB 0.532 Z: 7 4.808 1.692 0.650 0.324 0.833 0.333 CB 1.024 Z: 39 34.069 1.965 0.921 0.628 0.974 0.632 CB 1.333 39 residues pruned to eliminate duplicates Z: 10 15.654 1.782 0.937 0.767 0.889 0.778 CA 1.342 10 residues pruned to eliminate duplicates Z: 11 14.905 2.087 0.670 0.367 0.900 0.600 CB 1.732 16 residues pruned to eliminate duplicates Z: 12 16.986 1.839 0.630 0.901 0.909 0.636 CA 1.341 12 residues pruned to eliminate duplicates Z: 24 18.710 1.989 0.746 0.602 0.957 0.739 CB 1.065 24 residues pruned to eliminate duplicates Z: 13 18.907 1.752 0.883 0.859 1.000 0.750 CA 1.217 13 residues pruned to eliminate duplicates Z: 14 18.275 1.842 0.732 0.602 1.000 0.692 N 1.442 14 residues pruned to eliminate duplicates Z: 28 15.657 1.952 0.529 0.308 0.926 0.556 CB 1.349 28 residues pruned to eliminate duplicates Z: 11 31.856 2.147 1.032 0.910 1.000 0.800 CB 1.637 11 residues pruned to eliminate duplicates Z: 14 9.612 1.775 0.589 0.413 0.846 0.385 CB 1.223 14 residues pruned to eliminate duplicates Z: 14 26.734 1.973 1.199 0.918 0.923 0.846 CB 1.306 14 residues pruned to eliminate duplicates Z: 6 11.291 1.802 0.606 0.715 1.000 0.600 O 1.436 7 residues pruned to eliminate duplicates Z: 7 6.876 1.691 0.783 0.389 0.833 0.667 CB 1.257 7 residues pruned to eliminate duplicates Z: 12 22.721 1.937 0.783 0.914 1.000 0.909 CB 1.403 12 residues pruned to eliminate duplicates Z: 8 12.036 1.738 0.741 0.595 1.000 0.714 N 1.373 8 residues pruned to eliminate duplicates Z: 6 6.637 1.758 0.631 0.299 1.000 0.400 O 1.296 6 residues pruned to eliminate duplicates Z: 44 29.456 2.013 0.722 0.604 0.930 0.651 CB 1.261 44 residues pruned to eliminate duplicates Z: 19 31.799 1.951 1.131 0.891 1.000 0.389 CB 1.296 19 residues pruned to eliminate duplicates Z: 11 17.920 1.948 0.699 0.827 1.000 0.600 CB 1.290 11 residues pruned to eliminate duplicates Z: 14 16.995 1.906 0.722 0.805 0.923 0.615 CB 1.192 14 residues pruned to eliminate duplicates Z: 6 4.698 1.524 0.481 0.614 0.800 0.800 CB 1.044 Z: 11 12.444 1.792 0.570 0.835 0.900 0.800 CB 1.164 11 residues pruned to eliminate duplicates Z: 6 5.600 1.704 0.428 0.553 1.000 0.400 CB 0.977 Z: 9 7.177 1.813 0.887 0.363 0.875 0.625 CB 0.982 7 residues pruned to eliminate duplicates Z: 11 8.199 1.842 0.112 0.552 0.900 0.700 CB 1.337 11 residues pruned to eliminate duplicates Z: 6 2.507 1.420 0.800 0.448 0.800 0.400 CB 0.578 Z: 55 33.892 2.074 0.744 0.558 0.889 0.667 CB 1.356 55 residues pruned to eliminate duplicates Z: 14 12.481 1.767 0.859 0.612 0.846 0.615 CB 1.120 14 residues pruned to eliminate duplicates Z: 12 22.434 1.838 0.812 0.890 1.000 0.636 CB 1.461 12 residues pruned to eliminate duplicates Z: 12 7.002 1.788 0.430 0.433 0.727 0.545 CB 1.217 12 residues pruned to eliminate duplicates Z: 9 2.806 1.635 0.036 0.449 0.750 0.500 CB 0.823 9 residues pruned to eliminate duplicates Z: 6 12.021 1.743 0.599 0.795 1.000 0.200 N 1.490 Z: 6 5.451 1.482 0.744 0.742 0.800 0.800 N 0.949 Z: 6 2.434 1.663 0.179 0.456 0.600 0.600 CB 0.968 Z: 9 2.310 1.577 0.511 0.312 0.625 0.500 CB 0.675 Z: 13 17.006 1.986 0.737 0.508 1.000 0.583 CB 1.412 13 residues pruned to eliminate duplicates Z: 7 2.499 1.643 0.473 0.241 0.500 0.333 CB 1.138 Z: 8 5.356 1.683 0.599 0.473 0.857 0.714 CB 0.902 Z: 16 14.894 1.880 0.487 0.618 0.933 0.600 CB 1.319 13 residues pruned to eliminate duplicates Z: 20 17.363 1.781 0.538 0.719 0.947 0.526 CB 1.260 20 residues pruned to eliminate duplicates Z: 8 8.568 1.787 0.529 0.673 0.857 0.571 CB 1.178 Z: 8 4.924 1.790 0.754 0.760 0.857 0.571 CB 0.549 Z: 8 12.744 1.948 0.445 0.750 0.857 0.571 N 1.597 8 residues pruned to eliminate duplicates Z: 11 15.817 1.947 0.415 0.850 1.000 0.800 CB 1.346 11 residues pruned to eliminate duplicates Z: 21 26.733 2.079 0.775 0.794 0.950 0.550 CB 1.318 21 residues pruned to eliminate duplicates Z: 9 8.827 1.453 1.143 0.704 0.750 0.500 O 1.110 Z: 10 11.511 1.660 0.585 0.761 1.000 0.444 CB 1.156 10 residues pruned to eliminate duplicates Z: 14 32.665 2.018 0.997 0.811 1.000 0.846 CB 1.714 14 residues pruned to eliminate duplicates Z: 12 18.817 1.829 0.546 0.852 1.000 0.727 CB 1.484 12 residues pruned to eliminate duplicates Z: 27 12.662 1.897 0.672 0.339 0.769 0.462 CB 1.214 27 residues pruned to eliminate duplicates Z: 7 5.126 1.992 0.951 0.880 1.000 1.000 CB 0.390 Z: 25 18.798 1.899 0.515 0.711 0.875 0.708 CB 1.259 25 residues pruned to eliminate duplicates Z: 13 21.541 1.931 0.686 0.911 1.000 0.750 CB 1.354 13 residues pruned to eliminate duplicates Z: 6 6.757 1.568 0.769 0.663 0.800 0.600 O 1.171 6 residues pruned to eliminate duplicates Z: 11 7.183 1.838 0.532 0.353 0.700 0.500 CB 1.351 11 residues pruned to eliminate duplicates Z: 34 16.009 1.939 0.682 0.340 0.818 0.455 CB 1.244 34 residues pruned to eliminate duplicates Z: 14 15.738 1.908 0.413 0.876 1.000 0.769 CB 1.177 14 residues pruned to eliminate duplicates Z: 12 23.093 1.839 1.153 0.915 1.000 0.727 CB 1.243 12 residues pruned to eliminate duplicates Z: 6 4.623 1.715 0.881 0.365 0.800 0.800 CB 0.926 Z: 7 2.681 1.479 0.526 0.245 0.667 0.500 CB 0.977 Z: 11 18.137 1.954 0.728 0.893 1.000 0.800 CB 1.220 Z: 11 13.430 1.857 0.349 0.867 1.000 0.700 CB 1.241 11 residues pruned to eliminate duplicates Z: 11 4.261 1.646 0.146 0.366 0.700 0.300 CB 1.178 11 residues pruned to eliminate duplicates Z: 12 2.752 1.770 0.067 0.563 0.818 0.727 CB 0.505 Z: 9 9.642 1.619 0.529 0.816 0.875 0.625 N 1.196 9 residues pruned to eliminate duplicates Z: 9 6.055 1.780 0.449 0.453 0.750 0.500 CB 1.161 Z: 10 13.843 1.917 0.467 0.852 1.000 0.778 CB 1.214 10 residues pruned to eliminate duplicates Z: 12 11.243 1.849 0.770 0.734 0.818 0.364 CB 1.026 12 residues pruned to eliminate duplicates Z: 19 13.329 1.826 0.999 0.854 0.667 0.278 CB 0.954 19 residues pruned to eliminate duplicates Z: 7 8.773 1.793 0.112 0.842 1.000 1.000 N 1.339 7 residues pruned to eliminate duplicates Z: 6 4.813 1.355 0.597 0.627 0.800 0.600 CB 1.104 6 residues pruned to eliminate duplicates Z: 8 11.372 1.669 0.327 0.825 1.000 0.571 C 1.464 8 residues pruned to eliminate duplicates Z: 13 4.563 1.614 0.160 0.242 0.833 0.500 CB 1.137 13 residues pruned to eliminate duplicates Z: 17 35.672 2.035 1.227 0.932 1.000 0.750 CB 1.374 17 residues pruned to eliminate duplicates Z: 56 30.272 2.017 0.831 0.484 0.891 0.709 CB 1.261 56 residues pruned to eliminate duplicates Z: 9 14.984 1.945 0.676 0.723 1.000 0.625 CB 1.329 9 residues pruned to eliminate duplicates Z: 8 3.553 1.646 0.128 0.341 0.714 0.429 CB 1.205 Z: 19 37.863 2.042 1.186 0.925 0.944 0.778 CB 1.486 19 residues pruned to eliminate duplicates Z: 9 3.649 1.603 0.485 0.753 0.750 0.500 CB 0.576 Z: 7 7.632 1.696 0.840 0.662 1.000 1.000 CB 0.859 7 residues pruned to eliminate duplicates Z: 11 7.705 1.769 0.826 0.529 0.900 0.600 CB 0.814 10 residues pruned to eliminate duplicates Z: 15 13.348 1.947 0.754 0.265 0.857 0.429 O 1.594 15 residues pruned to eliminate duplicates Z: 9 9.912 2.014 0.316 0.666 0.875 0.875 CB 1.295 9 residues pruned to eliminate duplicates Z: 25 11.674 1.855 0.694 0.393 0.750 0.458 CB 1.132 25 residues pruned to eliminate duplicates Z: 35 42.746 2.132 1.117 0.696 0.941 0.676 CB 1.443 41 residues pruned to eliminate duplicates Z: 14 21.153 1.952 0.707 0.844 0.923 0.692 CB 1.419 14 residues pruned to eliminate duplicates Z: 7 5.446 1.570 0.634 0.339 0.833 0.500 N 1.239 Z: 37 33.652 2.069 0.744 0.647 0.944 0.611 CB 1.435 37 residues pruned to eliminate duplicates Z: 12 5.946 1.784 0.191 0.409 0.909 0.636 CB 1.021 12 residues pruned to eliminate duplicates Z: 12 8.120 1.951 0.268 0.577 0.818 0.727 CB 1.124 12 residues pruned to eliminate duplicates Z: 19 20.783 1.830 0.571 0.766 1.000 0.667 CB 1.346 19 residues pruned to eliminate duplicates Z: 13 8.894 1.732 0.465 0.325 0.917 0.417 CB 1.337 Z: 11 4.573 1.494 0.494 0.286 0.800 0.200 CB 1.030 Z: 10 19.127 1.895 0.785 0.908 1.000 0.778 CB 1.339 21 residues pruned to eliminate duplicates Z: 45 24.498 1.905 0.633 0.609 0.864 0.614 CB 1.239 45 residues pruned to eliminate duplicates Z: 13 21.973 1.782 0.817 0.879 0.917 0.833 CB 1.549 13 residues pruned to eliminate duplicates Z: 18 15.241 1.941 0.780 0.530 0.706 0.412 CB 1.472 18 residues pruned to eliminate duplicates Z: 40 24.531 1.938 0.875 0.494 0.846 0.744 CB 1.285 41 residues pruned to eliminate duplicates Z: 20 36.326 2.062 1.034 0.845 0.947 0.842 CB 1.559 20 residues pruned to eliminate duplicates Z: 9 4.048 1.450 0.613 0.433 0.625 0.375 N 1.050 Z: 7 9.369 1.745 0.664 0.803 1.000 0.833 CB 1.011 Z: 14 11.242 2.037 0.485 0.389 0.846 0.615 CB 1.370 14 residues pruned to eliminate duplicates Z: 7 3.702 1.576 0.794 0.317 0.667 0.333 N 0.982 7 residues pruned to eliminate duplicates Z: 47 22.363 1.816 0.729 0.585 0.739 0.391 CB 1.310 42 residues pruned to eliminate duplicates Z: 82 49.708 2.122 0.685 0.576 0.926 0.691 CB 1.550 82 residues pruned to eliminate duplicates Z: 7 7.576 1.753 0.563 0.698 0.667 0.667 N 1.413 7 residues pruned to eliminate duplicates Z: 24 24.150 2.032 0.913 0.544 0.826 0.696 CB 1.502 24 residues pruned to eliminate duplicates Z: 39 37.928 2.026 0.812 0.716 0.974 0.842 CB 1.416 39 residues pruned to eliminate duplicates Z: 8 3.502 1.800 0.387 0.249 0.571 0.286 CB 1.238 Z: 31 23.081 2.050 0.586 0.469 0.833 0.533 CB 1.604 31 residues pruned to eliminate duplicates Z: 12 5.716 1.534 0.394 0.369 0.818 0.636 CB 1.134 Z: 16 6.054 1.550 0.320 0.255 0.800 0.333 CB 1.266 16 residues pruned to eliminate duplicates Z: 25 16.466 1.980 0.746 0.318 0.875 0.542 CB 1.358 25 residues pruned to eliminate duplicates Z: 7 3.188 1.521 0.393 0.351 0.667 0.333 CB 1.083 7 residues pruned to eliminate duplicates Z: 6 2.793 1.749 -0.127 0.473 0.800 0.600 CB 1.050 Z: 22 22.421 2.064 0.683 0.619 0.905 0.905 CB 1.391 22 residues pruned to eliminate duplicates Z: 12 5.191 1.516 0.844 0.360 0.727 0.545 CB 0.895 Z: 8 7.619 1.796 0.459 0.441 0.857 0.714 CA 1.362 8 residues pruned to eliminate duplicates Z: 20 8.892 1.739 0.592 0.378 0.737 0.579 CB 1.139 16 residues pruned to eliminate duplicates Z: 23 20.226 2.011 0.526 0.765 0.909 0.636 CB 1.221 23 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 65 47.445 2.038 0.877 0.658 0.953 0.703 CB 1.405 66 residues pruned to eliminate duplicates Z: 10 22.811 2.051 0.578 0.875 1.000 0.778 CB 1.709 10 residues pruned to eliminate duplicates Z: 72 46.130 2.048 0.821 0.621 0.930 0.620 CB 1.408 100 residues pruned to eliminate duplicates Z: 12 20.954 1.867 0.689 0.847 1.000 0.818 CB 1.487 Z: 11 15.713 1.948 0.422 0.797 0.900 0.800 CB 1.537 11 residues pruned to eliminate duplicates Z: 13 22.151 1.804 0.896 0.889 1.000 0.750 CB 1.346 12 residues pruned to eliminate duplicates Z: 13 24.402 1.758 0.863 0.897 1.000 0.833 N 1.540 12 residues pruned to eliminate duplicates Z: 12 15.939 1.759 0.942 0.718 0.818 0.455 N 1.413 12 residues pruned to eliminate duplicates Z: 13 19.038 1.864 1.132 0.678 0.833 0.667 CB 1.409 14 residues pruned to eliminate duplicates Z: 7 7.233 1.415 1.072 0.430 1.000 0.333 CB 1.083 7 residues pruned to eliminate duplicates Z: 20 13.116 1.952 0.506 0.499 0.947 0.684 CB 1.081 20 residues pruned to eliminate duplicates Z: 66 34.237 2.062 0.665 0.501 0.923 0.631 CB 1.339 66 residues pruned to eliminate duplicates Z: 47 26.890 1.980 0.807 0.494 0.913 0.609 CB 1.221 60 residues pruned to eliminate duplicates Z: 44 27.418 2.035 0.808 0.447 0.930 0.721 CB 1.290 44 residues pruned to eliminate duplicates Z: 21 17.792 2.058 0.604 0.629 0.950 0.800 CB 1.123 21 residues pruned to eliminate duplicates Z: 127 51.775 2.085 0.692 0.530 0.881 0.651 CB 1.441 147 residues pruned to eliminate duplicates Z: 21 18.857 2.016 0.876 0.651 0.900 0.800 CB 1.076 21 residues pruned to eliminate duplicates Z: 21 19.593 2.059 0.756 0.625 0.900 0.750 CB 1.197 21 residues pruned to eliminate duplicates Z: 45 23.137 2.028 0.634 0.460 0.932 0.705 CB 1.177 45 residues pruned to eliminate duplicates Z: 89 41.457 2.085 0.627 0.548 0.909 0.659 CB 1.368 89 residues pruned to eliminate duplicates Z: 26 18.614 2.014 0.789 0.597 0.880 0.680 CB 1.070 26 residues pruned to eliminate duplicates Z: 36 22.977 2.015 0.736 0.463 0.857 0.600 CB 1.345 36 residues pruned to eliminate duplicates Z: 37 24.423 2.014 0.762 0.458 0.889 0.611 CB 1.347 37 residues pruned to eliminate duplicates Z: 72 40.659 2.094 0.759 0.518 0.901 0.676 CB 1.427 72 residues pruned to eliminate duplicates Z: 32 26.731 2.111 0.866 0.501 0.935 0.710 CB 1.302 32 residues pruned to eliminate duplicates Z: 49 26.626 1.982 0.779 0.403 0.917 0.646 CB 1.316 49 residues pruned to eliminate duplicates Z: 48 21.309 1.981 0.589 0.385 0.872 0.596 CB 1.279 48 residues pruned to eliminate duplicates Z: 44 26.053 2.031 0.708 0.435 0.907 0.698 CB 1.351 44 residues pruned to eliminate duplicates Z: 28 13.715 1.953 0.629 0.268 0.778 0.481 CB 1.389 28 residues pruned to eliminate duplicates Z: 117 54.823 2.102 0.785 0.552 0.922 0.612 CB 1.398 117 residues pruned to eliminate duplicates Z: 34 24.130 2.010 0.821 0.477 0.939 0.545 CB 1.250 34 residues pruned to eliminate duplicates Z: 56 30.696 2.045 0.759 0.446 0.891 0.655 CB 1.365 56 residues pruned to eliminate duplicates Z: 33 19.157 1.994 0.784 0.301 0.844 0.531 CB 1.410 33 residues pruned to eliminate duplicates Z: 118 55.904 2.110 0.766 0.557 0.915 0.684 CB 1.436 118 residues pruned to eliminate duplicates Z: 18 18.676 2.103 0.711 0.325 0.941 0.529 CB 1.622 18 residues pruned to eliminate duplicates Z: 29 20.268 2.040 0.943 0.325 0.893 0.643 CB 1.312 29 residues pruned to eliminate duplicates Z: 29 19.733 2.023 0.796 0.285 0.893 0.500 CB 1.464 29 residues pruned to eliminate duplicates Z: 55 29.918 2.023 0.773 0.456 0.889 0.519 CB 1.335 55 residues pruned to eliminate duplicates Z: 42 29.527 2.068 0.755 0.445 0.976 0.585 CB 1.378 42 residues pruned to eliminate duplicates Z: 44 26.929 2.062 0.786 0.449 0.884 0.628 CB 1.330 44 residues pruned to eliminate duplicates Z: 50 25.663 2.027 0.780 0.381 0.918 0.551 CB 1.256 50 residues pruned to eliminate duplicates Z: 27 26.787 1.985 1.026 0.578 0.923 0.577 CB 1.313 27 residues pruned to eliminate duplicates Z: 64 38.233 2.094 0.777 0.504 0.921 0.587 CB 1.400 64 residues pruned to eliminate duplicates Z: 35 25.611 2.039 0.834 0.462 0.853 0.588 CB 1.431 35 residues pruned to eliminate duplicates Z: 47 24.034 2.025 0.685 0.386 0.913 0.587 CB 1.283 47 residues pruned to eliminate duplicates Z: 40 17.987 2.009 0.605 0.359 0.846 0.513 CB 1.230 40 residues pruned to eliminate duplicates Z: 31 30.622 2.063 0.758 0.575 0.967 0.700 CB 1.484 31 residues pruned to eliminate duplicates Z: 116 65.402 2.086 0.864 0.642 0.896 0.670 CB 1.534 115 residues pruned to eliminate duplicates Z: 9 11.351 1.976 0.598 0.540 0.875 0.375 CB 1.396 9 residues pruned to eliminate duplicates Z: 88 49.087 2.106 0.784 0.552 0.966 0.713 CB 1.380 88 residues pruned to eliminate duplicates Z: 94 47.924 2.111 0.727 0.546 0.925 0.688 CB 1.409 94 residues pruned to eliminate duplicates Z: 22 26.752 2.183 0.644 0.629 0.857 0.857 CB 1.682 22 residues pruned to eliminate duplicates Z: 53 32.233 2.093 0.674 0.590 0.885 0.692 CB 1.323 53 residues pruned to eliminate duplicates Z: 28 23.060 2.083 0.694 0.482 0.889 0.556 CB 1.441 28 residues pruned to eliminate duplicates Z: 76 36.544 2.059 0.709 0.507 0.920 0.693 CB 1.294 76 residues pruned to eliminate duplicates Z: 69 47.425 2.142 0.740 0.590 0.926 0.765 CB 1.528 69 residues pruned to eliminate duplicates Z: 85 40.372 2.099 0.652 0.543 0.917 0.667 CB 1.328 85 residues pruned to eliminate duplicates Z: 103 47.628 2.112 0.699 0.519 0.882 0.608 CB 1.462 103 residues pruned to eliminate duplicates Z: 66 38.504 2.101 0.768 0.499 0.938 0.600 CB 1.372 66 residues pruned to eliminate duplicates Z: 85 44.411 2.093 0.723 0.560 0.857 0.607 CB 1.480 85 residues pruned to eliminate duplicates Z: 30 20.413 1.945 0.814 0.472 0.862 0.621 CB 1.282 30 residues pruned to eliminate duplicates Z: 22 30.009 2.209 0.773 0.637 0.905 0.857 CB 1.625 22 residues pruned to eliminate duplicates Z: 46 39.727 2.149 0.749 0.647 0.933 0.689 CB 1.472 46 residues pruned to eliminate duplicates Z: 45 38.140 2.123 0.704 0.655 0.955 0.750 CB 1.442 45 residues pruned to eliminate duplicates Z: 37 26.194 2.102 0.646 0.498 0.917 0.750 CB 1.380 37 residues pruned to eliminate duplicates Z: 88 45.034 2.105 0.780 0.545 0.920 0.632 CB 1.341 88 residues pruned to eliminate duplicates Z: 73 40.891 2.110 0.700 0.579 0.903 0.722 CB 1.379 73 residues pruned to eliminate duplicates Z: 70 33.020 2.069 0.697 0.485 0.870 0.652 CB 1.321 70 residues pruned to eliminate duplicates Z: 132 45.473 2.043 0.650 0.512 0.855 0.611 CB 1.362 132 residues pruned to eliminate duplicates Z: 102 44.090 2.070 0.716 0.535 0.891 0.634 CB 1.339 102 residues pruned to eliminate duplicates Z: 69 47.227 2.157 0.766 0.604 0.912 0.647 CB 1.493 69 residues pruned to eliminate duplicates Z: 99 45.360 2.094 0.766 0.530 0.898 0.643 CB 1.339 99 residues pruned to eliminate duplicates Z: 48 40.823 2.109 0.837 0.623 0.936 0.723 CB 1.462 48 residues pruned to eliminate duplicates Z: 79 42.982 2.104 0.805 0.512 0.897 0.615 CB 1.412 79 residues pruned to eliminate duplicates Z: 102 50.631 2.124 0.726 0.532 0.901 0.683 CB 1.478 102 residues pruned to eliminate duplicates Z: 100 45.060 2.082 0.701 0.538 0.929 0.667 CB 1.325 100 residues pruned to eliminate duplicates Z: 20 31.189 2.169 0.903 0.733 0.947 0.789 CB 1.484 20 residues pruned to eliminate duplicates Z: 21 31.788 2.131 1.144 0.694 0.950 0.750 CB 1.372 21 residues pruned to eliminate duplicates Z: 58 37.118 2.105 0.819 0.544 0.895 0.614 CB 1.374 58 residues pruned to eliminate duplicates Z: 74 40.856 2.041 0.841 0.518 0.904 0.685 CB 1.383 74 residues pruned to eliminate duplicates Z: 22 27.991 2.158 1.098 0.661 0.810 0.619 CB 1.435 22 residues pruned to eliminate duplicates Z: 110 50.585 2.096 0.825 0.492 0.899 0.642 CB 1.421 110 residues pruned to eliminate duplicates Z: 57 40.354 2.121 0.933 0.526 0.875 0.679 CB 1.466 57 residues pruned to eliminate duplicates Z: 110 53.024 2.105 0.844 0.513 0.908 0.633 CB 1.423 110 residues pruned to eliminate duplicates Z: 43 49.140 2.183 0.917 0.693 1.000 0.786 CB 1.519 43 residues pruned to eliminate duplicates Z: 95 42.633 2.073 0.802 0.487 0.872 0.628 CB 1.368 95 residues pruned to eliminate duplicates Z: 51 40.872 2.142 0.907 0.607 0.880 0.660 CB 1.452 51 residues pruned to eliminate duplicates Z: 46 39.278 2.130 0.891 0.607 0.933 0.800 CB 1.407 46 residues pruned to eliminate duplicates Z: 75 36.893 2.058 0.876 0.466 0.865 0.608 CB 1.330 75 residues pruned to eliminate duplicates Z: 47 43.547 2.147 0.885 0.573 0.891 0.652 CB 1.658 47 residues pruned to eliminate duplicates Z: 20 25.103 2.059 0.881 0.604 0.842 0.632 CB 1.599 20 residues pruned to eliminate duplicates Z: 78 48.685 2.103 0.874 0.546 0.883 0.610 CB 1.525 78 residues pruned to eliminate duplicates Z: 21 28.208 2.022 0.879 0.601 0.900 0.500 CB 1.675 21 residues pruned to eliminate duplicates Z: 31 30.281 2.173 0.771 0.517 0.900 0.633 CB 1.569 31 residues pruned to eliminate duplicates Z: 37 36.465 2.099 1.086 0.564 0.917 0.556 CB 1.423 37 residues pruned to eliminate duplicates Z: 72 43.408 2.122 0.849 0.559 0.887 0.662 CB 1.396 72 residues pruned to eliminate duplicates Z: 36 35.296 2.142 0.968 0.622 0.857 0.600 CB 1.471 36 residues pruned to eliminate duplicates Z: 61 40.251 2.099 0.846 0.518 0.867 0.550 CB 1.519 61 residues pruned to eliminate duplicates Z: 40 28.855 2.060 0.703 0.465 0.897 0.538 CB 1.521 40 residues pruned to eliminate duplicates Z: 20 24.838 2.016 0.931 0.592 0.947 0.474 CA 1.415 20 residues pruned to eliminate duplicates Z: 37 29.047 1.972 0.796 0.540 0.833 0.500 CB 1.577 37 residues pruned to eliminate duplicates Z: 107 44.632 2.082 0.734 0.452 0.877 0.594 CB 1.437 107 residues pruned to eliminate duplicates Z: 24 25.585 2.086 0.918 0.526 0.870 0.565 CB 1.495 24 residues pruned to eliminate duplicates Z: 83 46.631 2.125 0.839 0.514 0.890 0.646 CB 1.460 83 residues pruned to eliminate duplicates Z: 89 49.344 2.115 0.889 0.548 0.864 0.580 CB 1.454 89 residues pruned to eliminate duplicates Z: 42 31.522 2.020 0.891 0.466 0.902 0.512 CB 1.478 42 residues pruned to eliminate duplicates Z: 77 50.445 2.097 0.930 0.569 0.908 0.605 CB 1.472 77 residues pruned to eliminate duplicates Z: 35 34.197 2.145 0.749 0.560 0.882 0.500 CB 1.672 35 residues pruned to eliminate duplicates Z: 100 52.880 2.128 0.852 0.532 0.889 0.657 CB 1.470 100 residues pruned to eliminate duplicates Z: 124 54.624 2.092 0.763 0.514 0.911 0.650 CB 1.446 124 residues pruned to eliminate duplicates Z: 22 16.332 1.990 0.425 0.393 0.905 0.524 CB 1.556 22 residues pruned to eliminate duplicates Z: 94 47.699 2.120 0.770 0.545 0.871 0.634 CB 1.447 94 residues pruned to eliminate duplicates Z: 127 56.101 2.111 0.839 0.511 0.905 0.651 CB 1.407 127 residues pruned to eliminate duplicates Z: 23 18.197 1.975 0.645 0.402 0.864 0.545 CB 1.533 23 residues pruned to eliminate duplicates Z: 51 41.715 2.115 0.863 0.541 0.900 0.520 CB 1.599 51 residues pruned to eliminate duplicates Z: 25 17.270 2.025 0.817 0.389 0.792 0.583 CB 1.361 25 residues pruned to eliminate duplicates Z: 87 46.726 2.083 0.833 0.538 0.895 0.686 CB 1.420 87 residues pruned to eliminate duplicates Z: 15 12.629 2.046 0.506 0.441 0.786 0.500 CB 1.482 15 residues pruned to eliminate duplicates Z: 37 32.371 2.112 0.808 0.546 0.917 0.528 CB 1.474 37 residues pruned to eliminate duplicates Z: 28 18.389 1.993 0.709 0.349 0.852 0.556 CB 1.438 28 residues pruned to eliminate duplicates Z: 12 5.987 1.883 0.382 0.316 0.636 0.364 CB 1.336 12 residues pruned to eliminate duplicates Z: 21 11.849 1.836 0.511 0.393 0.800 0.450 CB 1.337 21 residues pruned to eliminate duplicates Z: 22 14.375 1.955 0.630 0.435 0.762 0.571 CB 1.381 22 residues pruned to eliminate duplicates Z: 38 17.053 1.835 0.759 0.345 0.838 0.432 CB 1.228 38 residues pruned to eliminate duplicates Z: 37 20.352 1.935 0.601 0.387 0.889 0.528 CB 1.389 37 residues pruned to eliminate duplicates Z: 53 29.014 2.029 0.782 0.472 0.827 0.577 CB 1.385 53 residues pruned to eliminate duplicates Z: 16 8.671 1.702 0.673 0.354 0.800 0.467 CB 1.150 16 residues pruned to eliminate duplicates Z: 15 14.693 2.023 0.844 0.481 0.929 0.714 CB 1.156 15 residues pruned to eliminate duplicates Z: 18 12.296 1.879 0.679 0.444 0.882 0.647 CB 1.134 18 residues pruned to eliminate duplicates Z: 10 12.751 1.942 0.956 0.506 0.889 0.556 CB 1.251 10 residues pruned to eliminate duplicates Z: 54 31.027 2.064 0.798 0.478 0.868 0.604 CB 1.352 54 residues pruned to eliminate duplicates Z: 21 11.081 1.889 0.757 0.332 0.850 0.400 CB 1.055 21 residues pruned to eliminate duplicates Z: 19 13.405 1.930 0.672 0.397 0.944 0.556 CB 1.156 19 residues pruned to eliminate duplicates Z: 22 11.853 1.951 0.761 0.271 0.857 0.524 CB 1.140 22 residues pruned to eliminate duplicates Z: 19 12.106 1.965 0.536 0.384 0.944 0.556 CB 1.132 19 residues pruned to eliminate duplicates Z: 25 15.898 1.943 0.712 0.338 0.917 0.458 CB 1.270 25 residues pruned to eliminate duplicates Z: 21 10.688 1.874 0.768 0.279 0.750 0.500 CB 1.235 21 residues pruned to eliminate duplicates Z: 17 15.204 1.951 0.904 0.404 0.875 0.688 CB 1.293 17 residues pruned to eliminate duplicates Z: 42 27.318 2.038 0.736 0.532 0.902 0.659 CB 1.295 42 residues pruned to eliminate duplicates Z: 22 14.590 1.958 0.866 0.362 0.905 0.476 CB 1.116 22 residues pruned to eliminate duplicates Z: 23 17.183 1.961 1.012 0.397 0.864 0.545 CB 1.198 23 residues pruned to eliminate duplicates Z: 66 36.550 2.026 0.910 0.444 0.892 0.477 CB 1.391 66 residues pruned to eliminate duplicates Z: 51 32.409 2.070 0.734 0.558 0.900 0.720 CB 1.341 51 residues pruned to eliminate duplicates Z: 51 35.803 2.080 0.785 0.574 0.940 0.740 CB 1.351 51 residues pruned to eliminate duplicates Z: 52 33.769 2.067 0.704 0.570 0.902 0.667 CB 1.392 52 residues pruned to eliminate duplicates Z: 55 35.184 2.052 0.765 0.592 0.944 0.667 CB 1.282 55 residues pruned to eliminate duplicates Z: 67 29.294 2.000 0.586 0.466 0.879 0.561 CB 1.338 67 residues pruned to eliminate duplicates Z: 53 32.480 2.088 0.777 0.552 0.846 0.654 CB 1.363 53 residues pruned to eliminate duplicates Z: 52 34.396 2.060 0.804 0.562 0.902 0.627 CB 1.353 52 residues pruned to eliminate duplicates Z: 41 26.427 2.047 0.698 0.529 0.875 0.575 CB 1.336 41 residues pruned to eliminate duplicates Z: 43 30.420 2.047 0.809 0.573 0.905 0.667 CB 1.305 43 residues pruned to eliminate duplicates Z: 56 32.818 2.050 0.731 0.542 0.891 0.527 CB 1.343 56 residues pruned to eliminate duplicates Z: 54 32.807 2.029 0.753 0.532 0.943 0.585 CB 1.301 54 residues pruned to eliminate duplicates Z: 77 44.886 2.065 0.802 0.559 0.882 0.645 CB 1.481 77 residues pruned to eliminate duplicates Z: 55 36.401 2.066 0.775 0.607 0.944 0.722 CB 1.292 55 residues pruned to eliminate duplicates Z: 52 30.416 2.018 0.780 0.516 0.922 0.647 CB 1.267 52 residues pruned to eliminate duplicates Z: 38 32.080 2.073 0.863 0.603 0.919 0.676 CB 1.348 38 residues pruned to eliminate duplicates Z: 50 34.999 2.079 0.851 0.570 0.918 0.714 CB 1.323 50 residues pruned to eliminate duplicates Z: 50 29.578 2.028 0.768 0.487 0.898 0.592 CB 1.330 50 residues pruned to eliminate duplicates Z: 91 46.982 2.065 0.840 0.554 0.878 0.600 CB 1.409 91 residues pruned to eliminate duplicates Z: 31 26.822 1.958 0.745 0.755 0.967 0.800 CB 1.181 31 residues pruned to eliminate duplicates Z: 56 34.967 2.056 0.850 0.539 0.909 0.564 CB 1.313 56 residues pruned to eliminate duplicates Z: 51 33.713 2.054 0.726 0.538 0.940 0.660 CB 1.380 51 residues pruned to eliminate duplicates Z: 52 38.576 2.071 0.892 0.578 0.941 0.647 CB 1.358 52 residues pruned to eliminate duplicates Z: 55 32.236 2.054 0.796 0.564 0.852 0.667 CB 1.311 55 residues pruned to eliminate duplicates Z: 55 36.263 2.073 0.787 0.566 0.944 0.630 CB 1.324 56 residues pruned to eliminate duplicates Z: 6 3.425 1.914 0.484 0.390 0.400 0.200 CB 1.515 6 residues pruned to eliminate duplicates Z: 55 31.360 2.035 0.666 0.523 0.926 0.574 CB 1.329 55 residues pruned to eliminate duplicates Z: 56 32.750 2.060 0.708 0.557 0.855 0.600 CB 1.390 56 residues pruned to eliminate duplicates Z: 56 35.973 2.044 0.844 0.554 0.909 0.636 CB 1.344 56 residues pruned to eliminate duplicates Z: 56 34.874 2.036 0.763 0.547 0.945 0.564 CB 1.324 56 residues pruned to eliminate duplicates Z: 57 31.355 2.027 0.735 0.516 0.857 0.518 CB 1.368 57 residues pruned to eliminate duplicates Z: 40 32.240 2.065 0.754 0.622 0.897 0.564 CB 1.415 40 residues pruned to eliminate duplicates Z: 60 33.388 2.003 0.679 0.536 0.966 0.627 CB 1.291 60 residues pruned to eliminate duplicates Z: 76 39.142 2.017 0.797 0.504 0.920 0.533 CB 1.351 76 residues pruned to eliminate duplicates Z: 55 33.478 2.078 0.741 0.553 0.870 0.593 CB 1.373 55 residues pruned to eliminate duplicates Z: 58 35.470 2.026 0.779 0.567 0.930 0.632 CB 1.314 58 residues pruned to eliminate duplicates Z: 57 34.260 2.027 0.763 0.551 0.893 0.679 CB 1.365 57 residues pruned to eliminate duplicates Z: 56 36.536 2.050 0.741 0.595 0.945 0.655 CB 1.334 56 residues pruned to eliminate duplicates Z: 15 12.124 1.738 0.709 0.588 0.929 0.571 CB 1.079 12 residues pruned to eliminate duplicates Z: 11 17.539 1.958 0.536 0.873 0.900 0.600 CB 1.492 11 residues pruned to eliminate duplicates Z: 11 16.286 2.081 0.582 0.766 0.900 0.700 CB 1.373 15 residues pruned to eliminate duplicates Z: 12 13.582 1.779 0.736 0.770 0.818 0.636 CB 1.275 12 residues pruned to eliminate duplicates Z: 14 17.390 2.064 0.626 0.711 0.923 0.692 CB 1.286 14 residues pruned to eliminate duplicates Z: 12 17.942 1.796 0.874 0.777 1.000 0.636 CB 1.258 12 residues pruned to eliminate duplicates Z: 33 22.158 1.995 0.595 0.666 0.906 0.688 CB 1.165 33 residues pruned to eliminate duplicates Z: 15 19.645 2.033 0.697 0.670 1.000 0.714 CB 1.301 15 residues pruned to eliminate duplicates Z: 12 14.081 2.024 0.498 0.718 0.909 0.727 CB 1.265 12 residues pruned to eliminate duplicates Z: 40 17.930 1.935 0.475 0.433 0.846 0.667 CB 1.275 40 residues pruned to eliminate duplicates Z: 14 12.039 2.022 0.405 0.693 0.846 0.615 CB 1.164 14 residues pruned to eliminate duplicates Z: 33 21.456 2.001 0.544 0.596 0.906 0.750 CB 1.236 33 residues pruned to eliminate duplicates Z: 24 17.610 1.927 0.516 0.533 0.913 0.652 CB 1.333 24 residues pruned to eliminate duplicates Z: 18 19.551 2.046 0.613 0.692 1.000 0.706 CB 1.205 18 residues pruned to eliminate duplicates Z: 21 17.348 2.018 0.534 0.647 1.000 0.700 CB 1.092 21 residues pruned to eliminate duplicates Z: 29 25.340 2.040 0.682 0.702 0.964 0.821 CB 1.204 27 residues pruned to eliminate duplicates Z: 6 6.815 1.839 0.601 0.351 1.000 1.000 CB 1.216 6 residues pruned to eliminate duplicates Z: 31 28.253 2.024 0.785 0.658 1.000 0.733 CB 1.233 30 residues pruned to eliminate duplicates Z: 13 19.174 1.966 0.610 0.765 1.000 1.000 CB 1.382 13 residues pruned to eliminate duplicates Z: 64 29.027 1.991 0.593 0.507 0.921 0.698 CB 1.244 64 residues pruned to eliminate duplicates Z: 25 15.580 1.989 0.623 0.581 0.875 0.792 CB 1.041 25 residues pruned to eliminate duplicates Z: 19 20.007 2.031 0.720 0.702 1.000 0.944 CB 1.123 19 residues pruned to eliminate duplicates Z: 31 23.294 2.008 0.695 0.677 0.933 0.733 CB 1.138 32 residues pruned to eliminate duplicates Z: 9 8.582 1.851 0.989 0.834 0.625 0.625 CB 0.988 9 residues pruned to eliminate duplicates Z: 21 14.893 1.829 0.864 0.519 0.900 0.650 CB 1.065 21 residues pruned to eliminate duplicates Z: 43 22.300 2.014 0.809 0.390 0.857 0.548 CB 1.238 43 residues pruned to eliminate duplicates Z: 21 12.195 1.931 0.673 0.244 0.850 0.550 CB 1.335 21 residues pruned to eliminate duplicates Z: 31 17.802 1.923 0.670 0.278 0.933 0.600 CB 1.394 31 residues pruned to eliminate duplicates Z: 29 17.694 1.951 0.770 0.331 0.857 0.536 CB 1.360 29 residues pruned to eliminate duplicates Z: 32 14.927 1.927 0.770 0.297 0.806 0.516 CB 1.223 32 residues pruned to eliminate duplicates Z: 43 28.558 2.000 0.833 0.469 0.952 0.667 CB 1.302 43 residues pruned to eliminate duplicates Z: 34 17.177 1.897 0.622 0.305 0.909 0.515 CB 1.328 34 residues pruned to eliminate duplicates Z: 51 26.426 1.977 0.799 0.413 0.920 0.580 CB 1.251 51 residues pruned to eliminate duplicates Z: 49 22.950 1.943 0.732 0.422 0.875 0.500 CB 1.220 49 residues pruned to eliminate duplicates Z: 21 15.362 1.888 0.829 0.287 0.850 0.550 CB 1.487 21 residues pruned to eliminate duplicates Z: 75 35.593 2.034 0.672 0.510 0.932 0.689 CB 1.292 75 residues pruned to eliminate duplicates Z: 6 3.415 1.747 0.320 0.413 0.800 0.800 CB 0.907 6 residues pruned to eliminate duplicates Z: 25 16.616 1.999 0.624 0.341 0.917 0.625 CB 1.355 25 residues pruned to eliminate duplicates Z: 65 31.759 2.027 0.687 0.507 0.938 0.688 CB 1.230 65 residues pruned to eliminate duplicates Z: 40 22.480 2.021 0.733 0.346 0.897 0.564 CB 1.354 40 residues pruned to eliminate duplicates Z: 55 28.302 2.003 0.841 0.456 0.870 0.611 CB 1.256 55 residues pruned to eliminate duplicates Z: 34 14.298 1.858 0.748 0.303 0.758 0.515 CB 1.260 34 residues pruned to eliminate duplicates Z: 42 21.733 1.979 0.742 0.397 0.927 0.634 CB 1.185 42 residues pruned to eliminate duplicates Z: 48 22.904 1.934 0.826 0.399 0.894 0.532 CB 1.177 48 residues pruned to eliminate duplicates Z: 28 16.515 1.974 0.705 0.282 0.889 0.556 CB 1.358 28 residues pruned to eliminate duplicates Z: 49 19.187 1.972 0.608 0.357 0.833 0.479 CB 1.222 49 residues pruned to eliminate duplicates Z: 42 24.904 2.011 0.873 0.400 0.878 0.659 CB 1.307 42 residues pruned to eliminate duplicates Z: 31 26.442 2.060 0.798 0.554 0.967 0.867 CB 1.280 31 residues pruned to eliminate duplicates Z: 6 6.355 1.534 1.149 0.300 0.800 0.600 N 1.348 6 residues pruned to eliminate duplicates Z: 6 2.769 1.745 0.459 0.218 0.600 0.400 O 1.129 6 residues pruned to eliminate duplicates Z: 66 31.392 1.993 0.768 0.460 0.908 0.738 CB 1.268 66 residues pruned to eliminate duplicates Z: 30 23.797 2.077 0.649 0.533 0.966 0.862 CB 1.294 30 residues pruned to eliminate duplicates Z: 67 30.585 2.015 0.709 0.483 0.909 0.636 CB 1.224 67 residues pruned to eliminate duplicates Z: 74 33.180 1.987 0.682 0.453 0.932 0.644 CB 1.308 74 residues pruned to eliminate duplicates Z: 87 37.428 2.015 0.645 0.514 0.919 0.663 CB 1.308 85 residues pruned to eliminate duplicates Z: 6 13.486 1.974 0.578 0.817 1.000 0.600 CB 1.470 6 residues pruned to eliminate duplicates Z: 33 22.170 2.043 0.502 0.508 0.969 0.719 CB 1.308 33 residues pruned to eliminate duplicates Z: 24 25.329 2.052 0.762 0.597 0.957 0.913 CB 1.392 24 residues pruned to eliminate duplicates Z: 89 32.773 1.989 0.676 0.478 0.852 0.648 CB 1.257 89 residues pruned to eliminate duplicates Z: 21 24.573 2.082 0.706 0.630 1.000 0.850 CB 1.369 21 residues pruned to eliminate duplicates Z: 24 18.444 2.042 0.462 0.589 0.913 0.739 CB 1.296 24 residues pruned to eliminate duplicates Z: 24 18.826 1.974 0.540 0.559 0.957 0.652 CB 1.275 24 residues pruned to eliminate duplicates Z: 72 34.359 2.023 0.729 0.472 0.901 0.775 CB 1.331 72 residues pruned to eliminate duplicates Z: 52 29.797 2.015 0.758 0.464 0.922 0.647 CB 1.326 52 residues pruned to eliminate duplicates Z: 56 29.982 2.037 0.608 0.557 0.927 0.727 CB 1.259 56 residues pruned to eliminate duplicates Z: 108 40.475 1.961 0.733 0.532 0.897 0.533 CB 1.244 131 residues pruned to eliminate duplicates Z: 17 17.346 1.739 0.777 0.844 0.938 0.688 CB 1.114 17 residues pruned to eliminate duplicates Z: 30 28.476 2.048 0.763 0.578 0.966 0.793 CB 1.408 30 residues pruned to eliminate duplicates Z: 65 33.825 2.034 0.744 0.479 0.969 0.641 CB 1.256 65 residues pruned to eliminate duplicates Z: 63 29.935 2.037 0.629 0.450 0.903 0.613 CB 1.335 63 residues pruned to eliminate duplicates Z: 23 23.433 2.074 0.575 0.640 0.955 0.727 CB 1.405 23 residues pruned to eliminate duplicates Z: 21 26.978 2.089 0.667 0.672 1.000 0.900 CB 1.477 21 residues pruned to eliminate duplicates Z: 87 32.038 1.976 0.595 0.452 0.907 0.663 CB 1.270 87 residues pruned to eliminate duplicates Z: 44 34.116 2.051 0.672 0.623 0.977 0.674 CB 1.383 44 residues pruned to eliminate duplicates Z: 38 25.495 2.009 0.762 0.507 0.892 0.649 CB 1.318 38 residues pruned to eliminate duplicates Z: 85 39.038 2.025 0.667 0.535 0.929 0.655 CB 1.313 85 residues pruned to eliminate duplicates Z: 15 12.625 1.953 0.656 0.572 0.929 0.571 CB 1.048 15 residues pruned to eliminate duplicates Z: 38 27.466 1.952 0.735 0.642 0.973 0.703 CB 1.200 38 residues pruned to eliminate duplicates Z: 98 38.196 1.991 0.686 0.529 0.897 0.660 CB 1.251 98 residues pruned to eliminate duplicates Z: 14 17.735 2.048 0.633 0.571 0.923 0.769 CB 1.488 14 residues pruned to eliminate duplicates Z: 55 29.330 1.938 0.634 0.571 0.889 0.648 CB 1.324 55 residues pruned to eliminate duplicates Z: 15 23.099 1.938 1.078 0.654 1.000 0.786 CB 1.329 15 residues pruned to eliminate duplicates Z: 37 32.119 2.034 0.616 0.677 0.972 0.722 CB 1.423 37 residues pruned to eliminate duplicates Z: 22 22.681 1.996 0.828 0.726 0.905 0.762 CB 1.223 22 residues pruned to eliminate duplicates Z: 36 29.446 1.957 0.893 0.693 0.886 0.657 CB 1.272 36 residues pruned to eliminate duplicates Z: 77 34.777 1.951 0.675 0.519 0.908 0.605 CB 1.319 77 residues pruned to eliminate duplicates Z: 20 30.153 2.088 1.104 0.733 0.947 0.737 CB 1.348 20 residues pruned to eliminate duplicates Z: 21 24.753 2.059 1.073 0.642 0.900 0.650 CB 1.261 21 residues pruned to eliminate duplicates Z: 22 24.217 2.003 0.987 0.680 0.952 0.667 CB 1.181 22 residues pruned to eliminate duplicates Z: 23 20.049 1.959 1.076 0.595 0.864 0.727 CB 1.111 23 residues pruned to eliminate duplicates Z: 38 27.419 1.964 0.740 0.629 0.919 0.649 CB 1.271 38 residues pruned to eliminate duplicates Z: 72 46.956 2.075 0.860 0.625 0.944 0.620 CB 1.360 55 residues pruned to eliminate duplicates Z: 14 25.219 1.970 1.122 0.901 0.923 0.692 CB 1.294 14 residues pruned to eliminate duplicates Z: 14 25.276 1.896 1.265 0.884 0.923 0.385 CB 1.278 14 residues pruned to eliminate duplicates Z: 45 25.685 1.908 0.851 0.535 0.909 0.523 CB 1.165 21 residues pruned to eliminate duplicates Z: 14 23.847 2.026 1.023 0.829 0.846 0.538 CB 1.435 14 residues pruned to eliminate duplicates Z: 38 26.514 1.938 0.794 0.583 0.865 0.595 CB 1.338 38 residues pruned to eliminate duplicates Z: 57 33.192 2.002 0.709 0.630 0.911 0.696 CB 1.259 57 residues pruned to eliminate duplicates Z: 39 28.055 1.977 0.730 0.642 0.947 0.789 CB 1.230 47 residues pruned to eliminate duplicates Z: 12 12.386 1.871 0.637 0.784 0.909 0.545 CB 1.044 12 residues pruned to eliminate duplicates Z: 39 26.666 1.960 0.762 0.634 0.895 0.737 CB 1.234 39 residues pruned to eliminate duplicates Z: 37 34.969 2.030 0.822 0.665 0.944 0.694 CB 1.431 37 residues pruned to eliminate duplicates Z: 11 12.052 1.884 0.658 0.791 0.800 0.600 CB 1.181 11 residues pruned to eliminate duplicates Z: 55 34.344 1.988 0.789 0.600 0.907 0.630 CB 1.316 44 residues pruned to eliminate duplicates Z: 14 13.341 1.673 0.616 0.699 0.923 0.769 CB 1.236 14 residues pruned to eliminate duplicates Z: 62 31.436 1.932 0.700 0.496 0.902 0.607 CB 1.364 53 residues pruned to eliminate duplicates Z: 11 14.618 1.957 0.407 0.854 1.000 0.900 CB 1.240 11 residues pruned to eliminate duplicates Z: 38 30.732 1.988 0.719 0.651 0.946 0.757 CB 1.358 38 residues pruned to eliminate duplicates Z: 90 47.479 2.030 0.723 0.614 0.955 0.663 CB 1.353 90 residues pruned to eliminate duplicates Z: 105 48.343 2.012 0.757 0.560 0.904 0.625 CB 1.400 105 residues pruned to eliminate duplicates Z: 61 35.264 1.977 0.737 0.634 0.917 0.717 CB 1.276 61 residues pruned to eliminate duplicates Z: 109 47.060 2.007 0.786 0.567 0.880 0.667 CB 1.346 109 residues pruned to eliminate duplicates Z: 57 32.165 1.938 0.746 0.561 0.911 0.625 CB 1.314 57 residues pruned to eliminate duplicates Z: 55 29.646 1.953 0.623 0.601 0.926 0.611 CB 1.248 55 residues pruned to eliminate duplicates Z: 55 29.363 1.949 0.708 0.599 0.889 0.648 CB 1.229 55 residues pruned to eliminate duplicates Z: 59 29.909 1.943 0.726 0.570 0.810 0.690 CB 1.350 59 residues pruned to eliminate duplicates Z: 17 15.565 1.938 0.708 0.564 0.812 0.625 CB 1.360 17 residues pruned to eliminate duplicates Z: 15 13.662 1.864 0.699 0.521 0.857 0.643 CB 1.317 15 residues pruned to eliminate duplicates Z: 25 13.495 1.833 0.660 0.386 0.875 0.542 CB 1.168 25 residues pruned to eliminate duplicates Z: 16 13.400 1.854 0.506 0.398 0.933 0.400 CB 1.479 16 residues pruned to eliminate duplicates Z: 17 13.092 1.938 0.474 0.454 0.875 0.500 CB 1.373 17 residues pruned to eliminate duplicates Z: 27 13.016 1.826 0.723 0.342 0.808 0.423 CB 1.193 27 residues pruned to eliminate duplicates Z: 18 13.026 1.925 0.553 0.415 0.882 0.412 CB 1.309 18 residues pruned to eliminate duplicates Z: 25 12.158 1.834 0.596 0.282 0.833 0.375 CB 1.302 25 residues pruned to eliminate duplicates Z: 56 31.007 1.972 0.789 0.546 0.836 0.618 CB 1.355 56 residues pruned to eliminate duplicates Z: 16 15.221 1.943 0.607 0.417 0.867 0.333 CB 1.584 24 residues pruned to eliminate duplicates Z: 7 14.726 1.921 0.417 0.833 1.000 0.500 CB 1.657 8 residues pruned to eliminate duplicates Z: 7 14.340 1.821 0.756 0.834 1.000 0.833 CB 1.372 6 residues pruned to eliminate duplicates Z: 6 9.085 2.018 0.381 0.616 0.800 0.600 CB 1.633 6 residues pruned to eliminate duplicates Z: 20 12.873 1.935 0.427 0.399 0.789 0.526 CB 1.507 20 residues pruned to eliminate duplicates Z: 57 30.636 1.961 0.680 0.551 0.911 0.554 CB 1.298 57 residues pruned to eliminate duplicates Z: 46 19.991 1.915 0.523 0.372 0.867 0.556 CB 1.352 20 residues pruned to eliminate duplicates Z: 6 4.484 1.525 0.660 0.434 1.000 0.600 N 0.848 6 residues pruned to eliminate duplicates Z: 50 35.802 2.054 0.790 0.584 0.939 0.612 CB 1.367 50 residues pruned to eliminate duplicates Z: 41 24.012 2.025 0.490 0.562 0.875 0.575 CB 1.355 41 residues pruned to eliminate duplicates Z: 27 14.319 1.912 0.687 0.425 0.808 0.577 CB 1.165 27 residues pruned to eliminate duplicates Z: 31 21.479 1.905 0.807 0.462 0.900 0.567 CB 1.315 31 residues pruned to eliminate duplicates Z: 41 23.911 1.950 0.670 0.429 0.900 0.575 CB 1.389 41 residues pruned to eliminate duplicates Z: 41 23.443 1.970 0.639 0.476 0.875 0.725 CB 1.344 41 residues pruned to eliminate duplicates Z: 44 22.100 1.869 0.798 0.423 0.837 0.628 CB 1.297 44 residues pruned to eliminate duplicates Z: 23 16.718 1.982 0.665 0.504 0.909 0.591 CB 1.183 23 residues pruned to eliminate duplicates Z: 28 16.949 1.941 0.775 0.404 0.852 0.630 CB 1.229 28 residues pruned to eliminate duplicates Z: 26 18.982 1.959 0.704 0.438 0.840 0.600 CB 1.444 26 residues pruned to eliminate duplicates Z: 24 20.728 1.974 0.759 0.490 0.913 0.652 CB 1.378 24 residues pruned to eliminate duplicates Z: 23 20.045 2.017 0.864 0.476 0.864 0.636 CB 1.349 23 residues pruned to eliminate duplicates Z: 46 20.677 1.916 0.672 0.362 0.822 0.467 CB 1.357 46 residues pruned to eliminate duplicates Z: 20 14.432 1.997 0.632 0.475 0.789 0.632 CB 1.319 20 residues pruned to eliminate duplicates Z: 84 33.957 1.962 0.614 0.498 0.855 0.627 CB 1.378 84 residues pruned to eliminate duplicates Z: 52 30.787 1.998 0.720 0.529 0.843 0.686 CB 1.446 52 residues pruned to eliminate duplicates Z: 40 28.420 2.061 0.627 0.601 0.923 0.667 CB 1.334 40 residues pruned to eliminate duplicates Z: 98 46.001 1.998 0.755 0.568 0.897 0.639 CB 1.390 82 residues pruned to eliminate duplicates Z: 23 29.698 2.024 0.694 0.814 0.955 0.818 CB 1.472 23 residues pruned to eliminate duplicates Z: 76 35.073 1.984 0.693 0.485 0.880 0.600 CB 1.391 76 residues pruned to eliminate duplicates Z: 60 34.957 2.020 0.836 0.526 0.898 0.559 CB 1.331 60 residues pruned to eliminate duplicates Z: 23 30.775 2.021 0.855 0.800 0.955 0.636 CB 1.410 23 residues pruned to eliminate duplicates Z: 55 34.198 2.042 0.804 0.541 0.870 0.630 CB 1.394 55 residues pruned to eliminate duplicates Z: 39 30.825 2.054 0.778 0.596 0.947 0.684 CB 1.319 39 residues pruned to eliminate duplicates Z: 50 35.687 2.053 0.807 0.582 0.918 0.673 CB 1.384 50 residues pruned to eliminate duplicates Z: 41 32.865 2.047 0.833 0.601 0.950 0.675 CB 1.323 41 residues pruned to eliminate duplicates Z: 43 31.227 2.015 0.811 0.552 0.952 0.524 CB 1.318 43 residues pruned to eliminate duplicates Z: 49 32.287 2.019 0.772 0.534 0.938 0.708 CB 1.344 49 residues pruned to eliminate duplicates Z: 42 29.201 2.011 0.879 0.579 0.927 0.561 CB 1.207 42 residues pruned to eliminate duplicates Z: 50 30.425 2.004 0.724 0.522 0.898 0.490 CB 1.371 50 residues pruned to eliminate duplicates Z: 42 31.188 2.039 0.794 0.574 0.951 0.585 CB 1.303 42 residues pruned to eliminate duplicates Z: 54 37.168 2.026 0.934 0.562 0.943 0.585 CB 1.301 54 residues pruned to eliminate duplicates Z: 54 32.386 2.043 0.816 0.526 0.887 0.528 CB 1.318 54 residues pruned to eliminate duplicates Z: 55 36.350 2.042 0.908 0.540 0.907 0.611 CB 1.346 46 residues pruned to eliminate duplicates Z: 10 13.637 1.843 0.808 0.707 0.778 0.556 CA 1.453 10 residues pruned to eliminate duplicates Z: 108 46.710 2.014 0.759 0.558 0.888 0.654 CB 1.356 108 residues pruned to eliminate duplicates Z: 9 17.215 1.936 0.836 0.776 1.000 0.625 CB 1.342 9 residues pruned to eliminate duplicates Z: 55 41.452 2.049 0.856 0.583 0.944 0.630 CB 1.450 51 residues pruned to eliminate duplicates Z: 10 4.442 1.877 0.597 0.252 0.556 0.333 CB 1.183 10 residues pruned to eliminate duplicates Z: 54 36.705 2.040 0.845 0.574 0.925 0.547 CB 1.349 54 residues pruned to eliminate duplicates Z: 53 36.445 2.075 0.760 0.587 0.885 0.558 CB 1.439 53 residues pruned to eliminate duplicates Z: 73 40.743 2.027 0.776 0.560 0.889 0.556 CB 1.415 73 residues pruned to eliminate duplicates Z: 58 39.691 2.022 0.828 0.582 0.930 0.596 CB 1.414 58 residues pruned to eliminate duplicates Z: 6 6.367 1.481 0.927 0.377 1.000 0.600 CA 1.138 6 residues pruned to eliminate duplicates Z: 54 38.489 2.048 0.850 0.598 0.925 0.642 CB 1.375 54 residues pruned to eliminate duplicates Z: 8 14.982 1.859 0.599 0.782 1.000 1.000 N 1.486 8 residues pruned to eliminate duplicates Z: 55 38.306 2.038 0.811 0.593 0.926 0.667 CB 1.396 55 residues pruned to eliminate duplicates Z: 56 34.187 1.987 0.734 0.559 0.945 0.618 CB 1.337 56 residues pruned to eliminate duplicates Z: 7 5.074 1.673 0.487 0.340 0.833 0.500 CB 1.190 13 residues pruned to eliminate duplicates Z: 17 16.250 1.823 0.709 0.618 0.938 0.375 CB 1.245 17 residues pruned to eliminate duplicates Z: 19 17.582 1.835 0.653 0.620 0.889 0.667 CB 1.373 19 residues pruned to eliminate duplicates Z: 19 17.570 1.887 0.727 0.519 0.944 0.556 CB 1.321 19 residues pruned to eliminate duplicates Z: 19 17.573 1.907 0.575 0.664 0.944 0.667 CB 1.255 29 residues pruned to eliminate duplicates Z: 19 12.134 1.812 0.537 0.708 0.778 0.444 CB 1.093 19 residues pruned to eliminate duplicates Z: 37 27.845 1.926 0.686 0.696 0.889 0.583 CB 1.344 35 residues pruned to eliminate duplicates Z: 19 21.429 1.844 0.629 0.792 0.944 0.722 CB 1.377 19 residues pruned to eliminate duplicates Z: 17 14.265 1.893 0.613 0.592 0.938 0.562 CB 1.141 17 residues pruned to eliminate duplicates Z: 23 19.812 1.872 0.730 0.630 0.909 0.636 CB 1.270 23 residues pruned to eliminate duplicates Z: 21 19.801 1.830 0.654 0.766 0.900 0.500 CB 1.284 21 residues pruned to eliminate duplicates Z: 34 17.295 1.798 0.413 0.512 0.818 0.515 CB 1.431 34 residues pruned to eliminate duplicates Z: 43 31.581 1.931 0.571 0.711 0.976 0.571 CB 1.359 43 residues pruned to eliminate duplicates Z: 22 18.490 1.832 0.642 0.626 0.952 0.619 CB 1.251 22 residues pruned to eliminate duplicates Z: 36 25.999 1.918 0.491 0.685 0.971 0.686 CB 1.335 36 residues pruned to eliminate duplicates Z: 38 28.658 1.938 0.591 0.688 0.973 0.703 CB 1.323 38 residues pruned to eliminate duplicates Z: 36 29.081 1.926 0.679 0.690 0.971 0.714 CB 1.315 36 residues pruned to eliminate duplicates Z: 24 21.065 1.923 0.566 0.699 0.957 0.696 CB 1.271 24 residues pruned to eliminate duplicates Z: 42 26.427 1.917 0.584 0.644 0.902 0.659 CB 1.316 42 residues pruned to eliminate duplicates Z: 29 20.959 1.824 0.633 0.635 0.821 0.607 CB 1.427 29 residues pruned to eliminate duplicates Z: 49 31.286 1.961 0.711 0.618 0.896 0.521 CB 1.345 49 residues pruned to eliminate duplicates Z: 53 31.893 1.898 0.737 0.629 0.923 0.558 CB 1.287 53 residues pruned to eliminate duplicates Z: 19 28.856 2.026 0.694 0.891 1.000 0.889 CB 1.424 19 residues pruned to eliminate duplicates Z: 28 25.351 1.948 0.696 0.717 0.926 0.704 CB 1.311 28 residues pruned to eliminate duplicates Z: 35 27.599 1.950 0.698 0.686 0.912 0.559 CB 1.321 35 residues pruned to eliminate duplicates Z: 52 33.801 1.944 0.667 0.615 0.961 0.608 CB 1.363 52 residues pruned to eliminate duplicates Z: 41 32.742 1.926 0.757 0.717 0.950 0.625 CB 1.323 41 residues pruned to eliminate duplicates Z: 40 36.094 1.943 0.817 0.767 0.974 0.641 CB 1.326 40 residues pruned to eliminate duplicates Z: 42 30.867 1.940 0.710 0.690 0.976 0.707 CB 1.252 42 residues pruned to eliminate duplicates Z: 42 33.667 1.928 0.734 0.704 0.976 0.488 CB 1.339 42 residues pruned to eliminate duplicates Z: 41 31.068 1.930 0.778 0.675 0.950 0.650 CB 1.283 41 residues pruned to eliminate duplicates Z: 29 25.835 1.922 0.812 0.719 0.964 0.714 CB 1.193 29 residues pruned to eliminate duplicates Z: 32 30.189 1.973 1.048 0.660 0.871 0.581 CB 1.328 32 residues pruned to eliminate duplicates Z: 43 35.083 1.943 0.833 0.726 0.929 0.500 CB 1.335 43 residues pruned to eliminate duplicates Z: 49 31.740 1.948 0.787 0.645 0.896 0.604 CB 1.283 49 residues pruned to eliminate duplicates Z: 93 43.223 1.953 0.745 0.604 0.913 0.696 CB 1.312 93 residues pruned to eliminate duplicates Z: 52 30.173 1.889 0.824 0.599 0.941 0.608 CB 1.186 52 residues pruned to eliminate duplicates Z: 51 37.835 1.965 0.920 0.671 0.940 0.580 CB 1.289 62 residues pruned to eliminate duplicates Z: 20 32.968 2.008 1.183 0.824 0.947 0.421 CB 1.375 20 residues pruned to eliminate duplicates Z: 48 34.059 1.962 0.773 0.672 0.957 0.681 CB 1.274 49 residues pruned to eliminate duplicates Z: 22 32.041 2.031 1.012 0.808 0.952 0.762 CB 1.373 22 residues pruned to eliminate duplicates Z: 50 34.015 1.934 0.750 0.672 0.918 0.551 CB 1.334 50 residues pruned to eliminate duplicates Z: 34 30.732 1.963 0.959 0.628 0.939 0.636 CB 1.312 34 residues pruned to eliminate duplicates Z: 51 38.459 1.949 0.811 0.681 0.980 0.640 CB 1.331 51 residues pruned to eliminate duplicates Z: 34 36.382 2.014 1.003 0.690 0.970 0.515 CB 1.361 34 residues pruned to eliminate duplicates Z: 51 36.622 1.980 0.837 0.699 0.940 0.720 CB 1.264 51 residues pruned to eliminate duplicates Z: 49 33.874 1.962 0.784 0.644 0.917 0.521 CB 1.332 49 residues pruned to eliminate duplicates Z: 18 22.001 2.160 0.821 0.621 0.824 0.588 CB 1.470 18 residues pruned to eliminate duplicates Z: 21 21.484 2.149 0.762 0.557 0.850 0.600 CB 1.411 21 residues pruned to eliminate duplicates Z: 44 47.307 2.103 0.850 0.723 0.977 0.721 CB 1.552 44 residues pruned to eliminate duplicates Z: 6 3.680 1.676 0.856 0.232 0.800 0.600 CA 0.904 6 residues pruned to eliminate duplicates Z: 37 37.729 2.142 0.723 0.713 0.972 0.694 CB 1.445 37 residues pruned to eliminate duplicates Z: 17 26.700 2.091 1.006 0.587 0.875 0.688 CB 1.673 16 residues pruned to eliminate duplicates Z: 14 18.758 2.013 0.935 0.671 0.769 0.538 CB 1.482 14 residues pruned to eliminate duplicates Z: 53 45.398 2.086 0.935 0.679 0.923 0.712 CB 1.433 53 residues pruned to eliminate duplicates Z: 18 24.599 2.183 0.827 0.610 0.882 0.529 CB 1.528 18 residues pruned to eliminate duplicates Z: 19 29.223 2.222 0.909 0.608 0.889 0.611 CB 1.648 20 residues pruned to eliminate duplicates Z: 9 22.462 2.357 0.802 0.775 0.875 0.250 CB 1.677 9 residues pruned to eliminate duplicates Z: 19 26.793 2.217 0.824 0.576 0.889 0.556 CB 1.632 19 residues pruned to eliminate duplicates Z: 36 41.147 2.170 0.790 0.678 0.971 0.657 CB 1.565 36 residues pruned to eliminate duplicates Z: 38 30.060 2.002 0.714 0.677 0.865 0.622 CB 1.415 38 residues pruned to eliminate duplicates Z: 20 27.419 2.152 0.826 0.624 0.947 0.474 CB 1.503 20 residues pruned to eliminate duplicates Z: 41 35.672 2.075 0.656 0.649 0.950 0.700 CB 1.504 41 residues pruned to eliminate duplicates Z: 42 34.866 2.046 0.781 0.576 0.902 0.585 CB 1.539 42 residues pruned to eliminate duplicates Z: 38 41.352 2.123 0.847 0.691 0.946 0.730 CB 1.539 38 residues pruned to eliminate duplicates Z: 10 14.179 1.797 0.972 0.610 0.889 0.556 CB 1.352 10 residues pruned to eliminate duplicates Z: 53 36.373 2.034 0.780 0.594 0.904 0.788 CB 1.409 53 residues pruned to eliminate duplicates Z: 51 44.751 2.109 0.788 0.659 0.940 0.620 CB 1.542 51 residues pruned to eliminate duplicates Z: 46 41.267 2.064 0.862 0.681 1.000 0.756 CB 1.356 46 residues pruned to eliminate duplicates Z: 32 28.280 1.975 0.824 0.583 0.935 0.548 CB 1.392 32 residues pruned to eliminate duplicates Z: 36 44.249 2.174 0.984 0.694 0.943 0.686 CB 1.541 36 residues pruned to eliminate duplicates Z: 20 25.089 1.987 0.618 0.865 0.947 0.789 CB 1.385 20 residues pruned to eliminate duplicates Z: 21 28.669 2.011 0.980 0.724 0.900 0.700 CB 1.462 21 residues pruned to eliminate duplicates Z: 53 39.949 2.050 0.861 0.608 0.904 0.577 CB 1.450 53 residues pruned to eliminate duplicates Z: 54 46.022 2.046 0.804 0.672 0.981 0.642 CB 1.490 54 residues pruned to eliminate duplicates Z: 50 40.786 2.097 0.841 0.656 0.898 0.755 CB 1.454 50 residues pruned to eliminate duplicates Z: 53 47.543 2.090 0.899 0.690 0.962 0.750 CB 1.452 53 residues pruned to eliminate duplicates Z: 87 59.505 2.088 0.857 0.629 0.988 0.698 CB 1.484 87 residues pruned to eliminate duplicates Z: 52 47.163 2.093 0.942 0.663 0.961 0.647 CB 1.455 52 residues pruned to eliminate duplicates Z: 28 34.519 2.052 0.830 0.741 0.963 0.667 CB 1.480 28 residues pruned to eliminate duplicates Z: 51 41.862 2.100 0.865 0.663 0.900 0.720 CB 1.444 51 residues pruned to eliminate duplicates Z: 35 31.995 2.049 0.874 0.649 0.882 0.735 CB 1.410 35 residues pruned to eliminate duplicates Z: 37 35.286 2.024 0.966 0.669 0.917 0.639 CB 1.379 37 residues pruned to eliminate duplicates Z: 51 47.280 2.120 0.946 0.668 0.940 0.660 CB 1.476 51 residues pruned to eliminate duplicates Z: 45 48.717 2.065 0.974 0.702 0.955 0.705 CB 1.570 45 residues pruned to eliminate duplicates Z: 37 36.345 2.045 0.857 0.662 0.972 0.667 CB 1.412 37 residues pruned to eliminate duplicates Z: 57 42.384 2.037 0.872 0.624 0.946 0.625 CB 1.395 57 residues pruned to eliminate duplicates Z: 37 33.556 1.982 0.915 0.668 0.944 0.722 CB 1.336 37 residues pruned to eliminate duplicates Z: 44 35.692 1.984 0.919 0.598 0.930 0.558 CB 1.400 44 residues pruned to eliminate duplicates Z: 52 50.576 2.115 1.036 0.687 0.961 0.647 CB 1.442 52 residues pruned to eliminate duplicates Z: 52 49.123 2.126 0.984 0.692 0.961 0.706 CB 1.423 52 residues pruned to eliminate duplicates 461 residues left after pruning, divided into chains as follows: A: 6 B: 9 C: 219 D: 227 CC for partial structure against native data = 40.60 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.676, Connect. = 0.751 for dens.mod. cycle 1 = 0.300, Contrast = 0.788, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.932, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.960, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.978, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.983, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.988, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.987, Connect. = 0.803 for dens.mod. cycle 8 = 0.300, Contrast = 0.987, Connect. = 0.804 for dens.mod. cycle 9 = 0.300, Contrast = 0.985, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2375 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 499 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 41 29.472 2.006 0.861 0.495 0.875 0.575 CB 1.433 B: 33 16.351 1.924 0.762 0.435 0.781 0.594 CB 1.168 24 residues pruned to eliminate duplicates C: 8 6.856 1.998 0.449 0.491 0.714 0.571 CA 1.265 D: 12 22.158 2.159 0.589 0.782 0.818 0.636 CB 1.857 E: 13 26.903 2.216 0.771 0.769 0.917 0.667 CB 1.701 12 residues pruned to eliminate duplicates F: 18 32.395 2.054 0.621 0.926 1.000 0.824 CB 1.655 G: 12 23.279 1.995 0.820 0.810 1.000 0.727 CA 1.475 12 residues pruned to eliminate duplicates H: 12 35.414 2.200 1.066 0.932 1.000 1.000 CB 1.640 I: 14 35.269 2.190 0.916 0.903 1.000 0.769 CB 1.662 J: 14 20.146 1.959 0.523 0.884 1.000 0.769 CB 1.354 K: 42 23.143 2.043 0.638 0.422 0.927 0.683 CB 1.264 L: 16 26.926 2.033 0.802 0.893 1.000 0.867 CB 1.363 M: 35 33.827 2.149 0.757 0.656 0.941 0.676 CB 1.412 16 residues pruned to eliminate duplicates N: 19 29.591 2.003 0.696 0.934 1.000 1.000 CB 1.432 17 residues pruned to eliminate duplicates O: 11 34.258 2.251 1.176 0.924 1.000 0.900 CB 1.553 11 residues pruned to eliminate duplicates P: 17 19.586 1.918 0.579 0.822 0.938 0.875 CB 1.304 14 residues pruned to eliminate duplicates Q: 12 19.998 1.919 0.635 0.822 1.000 0.818 CB 1.454 R: 12 21.604 2.067 0.899 0.837 0.909 0.636 CB 1.366 12 residues pruned to eliminate duplicates S: 11 28.919 2.173 1.015 0.824 1.000 0.700 CB 1.578 13 residues pruned to eliminate duplicates T: 11 30.137 2.365 0.634 0.780 1.000 0.900 CA 1.928 13 residues pruned to eliminate duplicates U: 42 25.120 2.065 0.849 0.449 0.878 0.634 CB 1.233 12 residues pruned to eliminate duplicates V: 21 24.908 1.883 0.717 0.859 0.950 0.750 CB 1.334 17 residues pruned to eliminate duplicates W: 12 12.784 2.079 0.147 0.888 0.909 0.909 CB 1.281 11 residues pruned to eliminate duplicates X: 21 25.245 1.900 0.758 0.865 0.950 0.750 CB 1.303 22 residues pruned to eliminate duplicates Y: 14 25.885 2.017 0.727 0.931 1.000 0.769 CA 1.441 Z: 20 30.477 1.954 0.859 0.913 0.947 0.842 CB 1.438 21 residues pruned to eliminate duplicates Z: 21 25.973 2.084 0.720 0.810 0.950 0.750 CB 1.303 19 residues pruned to eliminate duplicates Z: 19 27.827 2.123 0.898 0.717 0.889 0.500 CB 1.505 11 residues pruned to eliminate duplicates Z: 13 24.898 2.066 0.747 0.857 1.000 0.833 CB 1.467 13 residues pruned to eliminate duplicates Z: 11 17.269 1.814 0.440 0.882 1.000 1.000 CB 1.512 Z: 22 19.314 2.011 0.705 0.639 0.857 0.714 CB 1.259 Z: 16 25.023 1.861 0.897 0.876 1.000 0.733 CB 1.331 14 residues pruned to eliminate duplicates Z: 7 3.970 1.818 0.726 0.355 0.500 0.333 CB 1.208 Z: 16 8.473 1.814 0.655 0.486 0.800 0.600 CB 0.923 7 residues pruned to eliminate duplicates Z: 11 16.505 1.721 0.513 0.883 1.000 0.800 CB 1.450 10 residues pruned to eliminate duplicates Z: 9 5.977 1.726 0.866 0.378 0.625 0.500 CB 1.195 Z: 12 6.466 1.782 0.768 0.291 0.727 0.545 CB 1.075 Z: 10 18.630 1.991 0.470 0.892 1.000 0.778 CB 1.524 10 residues pruned to eliminate duplicates Z: 12 28.331 2.119 1.051 0.868 0.909 0.818 CA 1.580 12 residues pruned to eliminate duplicates Z: 13 29.860 2.048 1.082 0.913 1.000 0.833 CB 1.430 13 residues pruned to eliminate duplicates Z: 34 29.682 2.065 0.888 0.549 0.848 0.545 CB 1.489 32 residues pruned to eliminate duplicates Z: 14 18.371 1.957 0.656 0.905 0.923 0.923 CB 1.212 14 residues pruned to eliminate duplicates Z: 103 49.706 2.101 0.749 0.545 0.902 0.608 CB 1.421 96 residues pruned to eliminate duplicates Z: 18 35.686 2.071 0.949 0.888 1.000 0.824 CB 1.544 18 residues pruned to eliminate duplicates Z: 10 14.816 2.033 0.596 0.821 0.778 0.778 CA 1.481 10 residues pruned to eliminate duplicates Z: 20 18.595 1.949 0.783 0.552 0.895 0.632 CB 1.304 Z: 10 23.890 2.087 0.944 0.866 0.889 0.778 CB 1.616 10 residues pruned to eliminate duplicates Z: 7 8.742 1.750 0.625 0.821 0.833 0.667 CA 1.140 Z: 12 30.043 2.266 0.886 0.854 0.909 0.909 CB 1.722 12 residues pruned to eliminate duplicates Z: 15 26.539 1.915 0.700 0.928 1.000 1.000 CB 1.525 15 residues pruned to eliminate duplicates Z: 13 28.743 2.130 0.724 0.893 1.000 0.750 CB 1.621 13 residues pruned to eliminate duplicates Z: 55 28.439 1.921 0.625 0.532 0.889 0.593 CB 1.353 22 residues pruned to eliminate duplicates Z: 7 16.612 1.968 1.153 0.787 0.833 0.833 N 1.492 7 residues pruned to eliminate duplicates Z: 21 12.927 1.928 0.496 0.586 0.800 0.700 CB 1.154 21 residues pruned to eliminate duplicates Z: 19 34.964 2.037 0.876 0.912 1.000 0.944 CB 1.527 19 residues pruned to eliminate duplicates Z: 19 12.465 1.832 0.539 0.451 0.778 0.611 CB 1.410 18 residues pruned to eliminate duplicates Z: 14 19.095 1.935 0.548 0.867 0.923 0.846 CB 1.401 14 residues pruned to eliminate duplicates Z: 75 32.163 1.996 0.722 0.508 0.838 0.581 CB 1.288 110 residues pruned to eliminate duplicates Z: 15 30.782 2.079 0.650 0.931 1.000 1.000 CB 1.676 15 residues pruned to eliminate duplicates Z: 14 24.196 1.953 0.862 0.862 1.000 0.692 CB 1.355 14 residues pruned to eliminate duplicates Z: 6 6.780 1.603 0.444 0.735 1.000 0.800 N 1.061 6 residues pruned to eliminate duplicates Z: 14 19.510 1.977 0.721 0.819 0.923 0.615 CB 1.307 14 residues pruned to eliminate duplicates Z: 13 14.679 1.622 0.432 0.877 1.000 0.750 CA 1.325 Z: 9 19.047 2.228 0.550 0.734 1.000 0.875 CB 1.580 9 residues pruned to eliminate duplicates Z: 17 33.626 2.072 0.979 0.927 1.000 0.938 CB 1.437 17 residues pruned to eliminate duplicates Z: 15 24.433 2.100 0.594 0.866 1.000 0.929 CB 1.428 15 residues pruned to eliminate duplicates Z: 10 11.029 2.014 0.667 0.460 0.889 0.889 CB 1.283 10 residues pruned to eliminate duplicates Z: 15 28.298 1.939 1.030 0.893 0.929 0.786 CB 1.485 15 residues pruned to eliminate duplicates Z: 7 3.206 1.732 0.460 0.399 0.667 0.667 CB 0.863 7 residues pruned to eliminate duplicates Z: 17 40.991 2.094 1.197 0.932 1.000 0.750 CB 1.555 18 residues pruned to eliminate duplicates Z: 38 25.696 2.033 0.753 0.441 0.946 0.730 CB 1.332 38 residues pruned to eliminate duplicates Z: 88 34.600 1.968 0.681 0.514 0.885 0.598 CB 1.249 57 residues pruned to eliminate duplicates Z: 20 20.495 2.045 0.375 0.828 0.947 0.895 CB 1.329 20 residues pruned to eliminate duplicates Z: 14 8.013 1.719 0.527 0.311 0.846 0.385 CB 1.234 Z: 17 9.282 1.752 0.467 0.497 0.812 0.625 CB 1.115 17 residues pruned to eliminate duplicates Z: 25 22.152 2.089 0.818 0.398 0.833 0.542 CB 1.591 25 residues pruned to eliminate duplicates Z: 56 35.513 2.062 0.790 0.587 0.855 0.673 CB 1.397 Z: 19 12.987 1.998 0.624 0.517 0.778 0.611 CB 1.192 19 residues pruned to eliminate duplicates Z: 18 15.020 2.021 0.401 0.640 0.941 0.765 CB 1.200 18 residues pruned to eliminate duplicates Z: 13 12.602 1.670 0.514 0.831 1.000 0.833 CB 1.080 13 residues pruned to eliminate duplicates Z: 41 36.019 2.106 0.719 0.656 0.950 0.775 CB 1.432 41 residues pruned to eliminate duplicates Z: 7 4.170 1.667 0.475 0.393 0.833 0.833 CB 0.930 Z: 16 18.947 1.688 0.743 0.744 0.933 0.667 CB 1.432 16 residues pruned to eliminate duplicates Z: 20 35.871 2.025 1.019 0.828 1.000 0.842 CB 1.515 20 residues pruned to eliminate duplicates Z: 23 21.479 1.870 0.655 0.808 0.955 0.818 CB 1.184 21 residues pruned to eliminate duplicates Z: 18 18.600 2.086 0.551 0.697 0.941 0.824 CB 1.238 18 residues pruned to eliminate duplicates Z: 18 36.725 2.066 1.030 0.945 0.941 0.941 CB 1.562 18 residues pruned to eliminate duplicates Z: 52 35.494 2.087 0.801 0.553 0.902 0.667 CB 1.393 49 residues pruned to eliminate duplicates Z: 17 27.857 2.031 0.597 0.934 1.000 0.938 CB 1.497 17 residues pruned to eliminate duplicates Z: 16 18.838 1.818 0.519 0.836 1.000 0.667 CB 1.318 16 residues pruned to eliminate duplicates Z: 11 15.705 2.008 0.493 0.863 0.900 0.800 CB 1.350 11 residues pruned to eliminate duplicates Z: 11 31.130 2.268 1.121 0.912 1.000 0.700 CB 1.449 11 residues pruned to eliminate duplicates Z: 12 26.116 2.042 0.840 0.801 1.000 0.636 CA 1.612 12 residues pruned to eliminate duplicates Z: 13 29.141 1.995 0.984 0.883 1.000 0.667 CA 1.536 13 residues pruned to eliminate duplicates Z: 11 28.743 2.146 0.857 0.875 1.000 0.600 CB 1.659 11 residues pruned to eliminate duplicates Z: 22 25.749 1.977 0.805 0.813 0.905 0.524 CB 1.325 22 residues pruned to eliminate duplicates Z: 52 26.894 2.081 0.729 0.428 0.863 0.608 CB 1.307 52 residues pruned to eliminate duplicates Z: 32 13.148 1.935 0.457 0.256 0.871 0.548 CB 1.271 32 residues pruned to eliminate duplicates Z: 43 23.060 1.996 0.693 0.449 0.952 0.690 CB 1.165 43 residues pruned to eliminate duplicates Z: 18 36.057 2.263 0.946 0.742 1.000 0.706 CB 1.598 19 residues pruned to eliminate duplicates Z: 12 20.048 2.111 0.984 0.895 0.909 0.636 CB 1.138 12 residues pruned to eliminate duplicates Z: 20 29.346 1.989 0.577 0.879 1.000 0.895 CB 1.557 20 residues pruned to eliminate duplicates Z: 97 48.423 2.084 0.697 0.547 0.906 0.688 CB 1.473 97 residues pruned to eliminate duplicates Z: 6 6.850 1.978 0.069 0.489 1.000 0.400 CB 1.464 Z: 17 13.995 1.829 0.708 0.511 0.812 0.562 CB 1.363 19 residues pruned to eliminate duplicates Z: 15 24.187 2.132 1.061 0.847 0.857 0.786 CB 1.274 15 residues pruned to eliminate duplicates Z: 7 3.506 1.864 0.006 0.497 0.667 0.333 CB 1.148 7 residues pruned to eliminate duplicates Z: 44 40.425 2.090 0.747 0.701 0.930 0.698 CB 1.511 55 residues pruned to eliminate duplicates Z: 19 27.877 2.003 0.843 0.865 1.000 0.722 CB 1.303 19 residues pruned to eliminate duplicates Z: 13 25.337 1.894 0.810 0.909 1.000 0.833 CA 1.515 13 residues pruned to eliminate duplicates Z: 15 15.602 1.905 0.413 0.883 1.000 0.786 CB 1.120 15 residues pruned to eliminate duplicates Z: 17 21.635 1.956 0.884 0.662 0.875 0.500 CB 1.443 17 residues pruned to eliminate duplicates Z: 18 37.041 2.070 1.180 0.886 1.000 0.647 CB 1.436 17 residues pruned to eliminate duplicates Z: 22 16.578 1.801 0.494 0.823 0.952 0.714 CB 1.067 22 residues pruned to eliminate duplicates Z: 7 12.368 1.777 0.798 0.807 1.000 0.833 CB 1.210 Z: 21 25.126 2.083 0.602 0.827 0.950 0.800 CB 1.335 21 residues pruned to eliminate duplicates Z: 13 16.873 2.034 0.711 0.482 1.000 0.583 CB 1.425 13 residues pruned to eliminate duplicates Z: 10 19.357 2.046 0.596 0.835 1.000 0.778 CB 1.480 10 residues pruned to eliminate duplicates Z: 8 12.212 2.025 0.629 0.491 0.857 0.857 O 1.648 Z: 53 28.405 1.927 0.697 0.567 0.885 0.558 CB 1.276 53 residues pruned to eliminate duplicates Z: 103 56.787 2.133 0.790 0.521 0.961 0.608 CB 1.501 103 residues pruned to eliminate duplicates Z: 15 29.341 2.084 0.816 0.933 1.000 1.000 CB 1.446 15 residues pruned to eliminate duplicates Z: 22 34.468 2.037 0.964 0.855 0.952 0.619 CB 1.457 22 residues pruned to eliminate duplicates Z: 12 7.605 1.777 0.441 0.550 0.909 0.818 CB 0.938 12 residues pruned to eliminate duplicates Z: 60 29.102 2.057 0.731 0.475 0.847 0.576 CB 1.288 60 residues pruned to eliminate duplicates Z: 14 17.032 1.930 0.762 0.724 0.923 0.615 CB 1.229 14 residues pruned to eliminate duplicates Z: 12 5.149 1.805 0.718 0.209 0.909 0.364 CB 0.777 12 residues pruned to eliminate duplicates Z: 17 33.841 2.071 0.896 0.922 1.000 0.875 CB 1.515 17 residues pruned to eliminate duplicates Z: 13 11.189 1.945 0.237 0.831 0.917 0.667 CB 1.101 13 residues pruned to eliminate duplicates Z: 15 25.156 1.930 0.919 0.914 1.000 0.786 CB 1.284 15 residues pruned to eliminate duplicates Z: 7 5.982 1.337 0.608 0.831 0.833 0.500 O 1.024 7 residues pruned to eliminate duplicates Z: 20 28.735 2.070 0.783 0.755 0.895 0.579 CB 1.590 20 residues pruned to eliminate duplicates Z: 22 22.402 1.929 0.970 0.650 0.810 0.667 CB 1.382 22 residues pruned to eliminate duplicates Z: 15 16.940 1.985 0.267 0.907 1.000 0.857 CB 1.280 15 residues pruned to eliminate duplicates Z: 23 17.791 1.904 0.350 0.774 0.909 0.818 CB 1.274 23 residues pruned to eliminate duplicates Z: 24 28.564 1.987 0.748 0.780 0.957 0.609 CB 1.400 24 residues pruned to eliminate duplicates Z: 53 30.104 2.046 0.748 0.588 0.827 0.654 CB 1.298 53 residues pruned to eliminate duplicates Z: 14 20.433 2.016 0.668 0.901 0.923 0.846 CB 1.303 14 residues pruned to eliminate duplicates Z: 82 33.324 1.976 0.758 0.449 0.864 0.654 CB 1.301 82 residues pruned to eliminate duplicates Z: 23 23.360 1.935 0.744 0.787 0.909 0.682 CB 1.261 23 residues pruned to eliminate duplicates Z: 15 29.870 2.041 0.970 0.883 1.000 0.857 CB 1.436 15 residues pruned to eliminate duplicates Z: 8 14.715 1.942 0.577 0.781 1.000 0.857 O 1.418 5 residues pruned to eliminate duplicates Z: 14 29.523 2.033 0.880 0.934 1.000 0.462 CB 1.494 14 residues pruned to eliminate duplicates Z: 16 22.109 1.855 0.930 0.889 1.000 0.867 CB 1.148 15 residues pruned to eliminate duplicates Z: 28 30.190 2.114 0.986 0.630 0.926 0.630 CB 1.322 28 residues pruned to eliminate duplicates Z: 22 26.297 1.996 0.647 0.792 1.000 0.714 CB 1.351 22 residues pruned to eliminate duplicates Z: 66 40.912 2.116 0.812 0.496 0.938 0.662 CB 1.415 66 residues pruned to eliminate duplicates Z: 11 26.890 2.169 1.051 0.849 0.900 0.500 CB 1.575 11 residues pruned to eliminate duplicates Z: 7 14.205 1.827 0.806 0.827 0.833 0.667 CA 1.590 8 residues pruned to eliminate duplicates Z: 53 31.378 2.061 0.688 0.567 0.904 0.692 CB 1.298 53 residues pruned to eliminate duplicates Z: 6 7.063 1.880 0.392 0.473 0.800 0.600 N 1.550 6 residues pruned to eliminate duplicates Z: 12 8.913 1.839 1.041 0.413 0.727 0.545 CB 1.078 11 residues pruned to eliminate duplicates Z: 54 33.408 2.038 0.825 0.545 0.887 0.566 CB 1.332 57 residues pruned to eliminate duplicates Z: 11 10.855 1.927 0.723 0.575 0.800 0.600 CB 1.203 13 residues pruned to eliminate duplicates Z: 52 54.661 2.120 0.944 0.700 0.980 0.706 CB 1.578 38 residues pruned to eliminate duplicates Z: 14 19.664 1.728 0.962 0.813 0.923 0.692 CB 1.328 14 residues pruned to eliminate duplicates Z: 9 3.219 1.541 0.922 0.271 0.625 0.250 N 0.797 Z: 11 11.048 1.914 0.467 0.806 0.800 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 17 19.637 1.949 0.480 0.789 0.938 0.625 CB 1.409 17 residues pruned to eliminate duplicates Z: 8 8.063 1.626 0.551 0.728 0.857 0.286 CB 1.147 8 residues pruned to eliminate duplicates Z: 7 3.948 1.706 0.757 0.320 0.667 0.500 CB 0.983 Z: 12 21.210 2.031 0.699 0.818 0.909 0.727 CB 1.547 12 residues pruned to eliminate duplicates Z: 10 8.336 1.822 0.560 0.697 0.778 0.556 CB 1.049 10 residues pruned to eliminate duplicates Z: 9 9.983 1.738 0.587 0.717 0.875 0.750 CB 1.202 9 residues pruned to eliminate duplicates Z: 10 6.661 1.853 0.748 0.774 1.000 0.667 CB 0.538 Z: 22 23.363 1.955 0.709 0.773 0.952 0.714 CB 1.259 22 residues pruned to eliminate duplicates Z: 44 28.540 2.066 0.712 0.496 0.930 0.651 CB 1.328 44 residues pruned to eliminate duplicates Z: 12 17.421 1.952 0.635 0.866 0.818 0.727 CB 1.473 12 residues pruned to eliminate duplicates Z: 42 26.012 2.028 0.705 0.444 0.927 0.683 CB 1.344 42 residues pruned to eliminate duplicates Z: 8 2.142 1.467 0.234 0.255 0.857 0.143 CB 0.691 Z: 13 18.907 1.763 0.609 0.864 0.917 0.833 C 1.539 13 residues pruned to eliminate duplicates Z: 12 11.870 1.765 0.557 0.791 0.818 0.727 CB 1.233 12 residues pruned to eliminate duplicates Z: 13 17.754 1.909 0.599 0.801 0.917 0.667 CB 1.408 13 residues pruned to eliminate duplicates Z: 13 10.835 1.765 0.435 0.638 0.833 0.667 N 1.303 13 residues pruned to eliminate duplicates Z: 13 24.078 2.119 0.633 0.858 0.917 0.667 CB 1.614 13 residues pruned to eliminate duplicates Z: 16 15.893 1.883 0.661 0.544 0.933 0.667 CB 1.347 16 residues pruned to eliminate duplicates Z: 12 17.000 1.887 0.552 0.761 1.000 0.545 CB 1.388 12 residues pruned to eliminate duplicates Z: 8 14.530 1.766 0.615 0.852 1.000 0.857 CA 1.424 8 residues pruned to eliminate duplicates Z: 14 22.573 1.977 0.866 0.874 0.923 0.769 CB 1.338 14 residues pruned to eliminate duplicates 7 1.851 1.536 0.323 0.623 0.667 0.500 CB 0.497 ? Z: 15 29.406 2.065 0.703 0.931 1.000 1.000 CB 1.561 15 residues pruned to eliminate duplicates Z: 13 25.534 2.026 0.762 0.883 1.000 0.750 CA 1.492 13 residues pruned to eliminate duplicates Z: 9 5.622 1.713 0.890 0.373 0.750 0.500 CB 0.938 8 residues pruned to eliminate duplicates Z: 19 32.169 1.978 1.208 0.910 1.000 0.444 CB 1.232 19 residues pruned to eliminate duplicates Z: 9 12.464 1.687 0.750 0.737 1.000 0.875 CB 1.207 9 residues pruned to eliminate duplicates Z: 22 12.040 1.899 0.677 0.375 0.810 0.571 CB 1.164 22 residues pruned to eliminate duplicates Z: 14 17.231 1.912 0.731 0.863 1.000 0.846 CB 1.059 14 residues pruned to eliminate duplicates Z: 23 23.422 2.016 0.666 0.753 0.955 0.545 CB 1.243 23 residues pruned to eliminate duplicates Z: 62 52.255 2.175 0.835 0.640 0.934 0.656 CB 1.573 62 residues pruned to eliminate duplicates Z: 24 19.301 1.986 0.568 0.642 0.957 0.739 CB 1.183 24 residues pruned to eliminate duplicates Z: 14 15.641 1.875 0.819 0.903 1.000 0.769 CB 0.906 14 residues pruned to eliminate duplicates Z: 21 29.190 2.024 0.798 0.849 0.900 0.750 CB 1.477 21 residues pruned to eliminate duplicates Z: 6 2.074 1.402 -0.149 0.628 0.800 0.400 CB 0.861 Z: 13 4.506 1.739 0.321 0.694 0.833 0.583 CB 0.569 Z: 45 29.435 2.059 0.605 0.604 0.932 0.727 CB 1.306 45 residues pruned to eliminate duplicates Z: 37 40.904 2.128 0.892 0.635 1.000 0.667 CB 1.491 37 residues pruned to eliminate duplicates Z: 14 26.549 1.875 0.991 0.764 1.000 0.462 N 1.560 14 residues pruned to eliminate duplicates Z: 15 6.095 1.789 0.455 0.319 0.786 0.429 CB 0.972 15 residues pruned to eliminate duplicates Z: 46 25.430 2.054 0.515 0.468 0.978 0.711 CB 1.288 46 residues pruned to eliminate duplicates Z: 11 15.861 2.130 0.725 0.776 0.800 0.600 CB 1.336 11 residues pruned to eliminate duplicates Z: 40 29.570 2.015 0.821 0.541 0.897 0.744 CB 1.380 40 residues pruned to eliminate duplicates Z: 6 8.163 1.951 0.513 0.673 0.800 0.800 CB 1.317 Z: 9 16.948 2.077 0.617 0.640 1.000 0.625 CB 1.565 9 residues pruned to eliminate duplicates Z: 15 23.868 1.917 0.913 0.900 1.000 0.857 CB 1.243 15 residues pruned to eliminate duplicates Z: 12 3.795 1.664 0.175 0.357 0.818 0.636 CB 0.835 Z: 10 31.681 2.331 0.869 0.809 1.000 0.667 CB 1.852 10 residues pruned to eliminate duplicates Z: 11 10.765 1.836 0.291 0.850 0.900 0.700 CB 1.182 11 residues pruned to eliminate duplicates Z: 11 19.435 2.084 0.451 0.853 0.900 0.600 CB 1.669 11 residues pruned to eliminate duplicates Z: 14 27.665 1.972 1.240 0.841 0.923 0.615 CB 1.403 14 residues pruned to eliminate duplicates Z: 13 15.724 1.928 0.744 0.735 0.750 0.750 CB 1.458 13 residues pruned to eliminate duplicates Z: 12 20.971 1.929 0.821 0.884 0.909 0.636 CB 1.431 12 residues pruned to eliminate duplicates Z: 36 17.051 1.788 0.535 0.495 0.886 0.571 CB 1.192 36 residues pruned to eliminate duplicates Z: 11 23.375 2.089 0.670 0.922 1.000 1.000 CB 1.490 11 residues pruned to eliminate duplicates Z: 15 17.251 1.895 0.396 0.915 1.000 0.857 CB 1.231 15 residues pruned to eliminate duplicates Z: 57 35.833 2.052 0.771 0.567 0.946 0.661 CB 1.305 57 residues pruned to eliminate duplicates Z: 6 6.496 1.851 0.379 0.668 0.800 0.800 CB 1.218 6 residues pruned to eliminate duplicates Z: 53 34.373 2.018 0.858 0.586 0.904 0.500 CB 1.295 53 residues pruned to eliminate duplicates Z: 22 22.929 2.061 0.483 0.857 0.905 0.810 CB 1.333 22 residues pruned to eliminate duplicates Z: 14 13.258 1.819 0.649 0.666 0.846 0.615 CB 1.243 14 residues pruned to eliminate duplicates Z: 24 23.764 2.044 0.522 0.645 1.000 0.826 CB 1.391 24 residues pruned to eliminate duplicates Z: 10 9.048 1.678 0.834 0.626 0.778 0.444 N 1.119 10 residues pruned to eliminate duplicates Z: 50 24.504 2.007 0.479 0.461 0.898 0.612 CB 1.366 50 residues pruned to eliminate duplicates Z: 22 23.897 2.017 0.749 0.800 0.952 0.714 CB 1.194 22 residues pruned to eliminate duplicates Z: 6 11.710 2.005 0.451 0.883 1.000 1.000 CB 1.302 6 residues pruned to eliminate duplicates Z: 10 10.346 1.894 0.652 0.721 0.667 0.444 CB 1.354 10 residues pruned to eliminate duplicates Z: 13 14.847 2.030 0.243 0.862 0.917 0.833 CB 1.361 13 residues pruned to eliminate duplicates Z: 16 13.753 1.886 0.844 0.403 0.800 0.333 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 25.728 1.950 0.815 0.919 1.000 0.933 CB 1.323 16 residues pruned to eliminate duplicates Z: 13 18.432 1.870 0.873 0.900 0.833 0.583 CA 1.302 13 residues pruned to eliminate duplicates Z: 17 29.653 1.913 0.977 0.892 0.938 0.875 CA 1.502 17 residues pruned to eliminate duplicates Z: 13 24.105 2.056 0.683 0.841 1.000 0.833 CB 1.499 13 residues pruned to eliminate duplicates Z: 6 8.828 1.674 0.448 0.816 1.000 1.000 N 1.237 6 residues pruned to eliminate duplicates Z: 20 23.093 2.031 0.655 0.774 0.842 0.632 CB 1.468 20 residues pruned to eliminate duplicates Z: 52 33.753 1.991 0.780 0.609 0.902 0.647 CB 1.333 55 residues pruned to eliminate duplicates Z: 19 24.223 1.964 0.604 0.927 1.000 0.944 CB 1.270 19 residues pruned to eliminate duplicates Z: 15 14.263 1.852 0.617 0.883 0.857 0.786 CB 1.073 15 residues pruned to eliminate duplicates Z: 81 37.700 2.021 0.623 0.543 0.875 0.588 CB 1.409 81 residues pruned to eliminate duplicates Z: 6 12.224 1.909 0.595 0.761 1.000 0.800 CB 1.424 6 residues pruned to eliminate duplicates Z: 13 17.597 1.956 0.667 0.863 0.917 0.833 CB 1.247 13 residues pruned to eliminate duplicates Z: 21 19.210 1.740 0.611 0.802 0.900 0.750 CB 1.307 21 residues pruned to eliminate duplicates Z: 12 14.889 1.988 0.705 0.845 0.909 0.727 CB 1.084 12 residues pruned to eliminate duplicates Z: 7 3.509 1.663 0.607 0.382 0.833 0.333 N 0.729 Z: 15 17.779 1.922 0.773 0.865 0.857 0.857 CB 1.191 15 residues pruned to eliminate duplicates Z: 22 12.553 1.815 0.440 0.466 0.762 0.524 CB 1.424 22 residues pruned to eliminate duplicates Z: 28 22.202 2.037 0.633 0.551 0.889 0.519 CB 1.375 28 residues pruned to eliminate duplicates Z: 11 10.760 1.934 0.237 0.801 0.900 0.500 CB 1.215 11 residues pruned to eliminate duplicates Z: 19 25.369 2.125 0.899 0.670 0.944 0.778 CB 1.341 19 residues pruned to eliminate duplicates Z: 11 11.678 1.728 0.608 0.771 0.900 0.900 CB 1.162 11 residues pruned to eliminate duplicates Z: 14 14.276 1.799 0.720 0.752 0.846 0.615 CB 1.208 14 residues pruned to eliminate duplicates Z: 11 4.017 1.651 0.295 0.336 0.800 0.600 CB 0.888 11 residues pruned to eliminate duplicates Z: 16 16.584 1.883 0.625 0.702 0.867 0.400 CB 1.343 16 residues pruned to eliminate duplicates Z: 59 22.607 1.963 0.578 0.393 0.897 0.603 CB 1.197 59 residues pruned to eliminate duplicates Z: 86 34.936 2.025 0.644 0.513 0.918 0.706 CB 1.225 84 residues pruned to eliminate duplicates Z: 9 15.865 1.926 0.767 0.832 0.875 0.500 CB 1.414 9 residues pruned to eliminate duplicates Z: 12 19.581 1.664 0.928 0.835 1.000 0.636 N 1.379 13 residues pruned to eliminate duplicates Z: 14 22.480 1.954 0.912 0.859 0.923 0.538 CB 1.330 14 residues pruned to eliminate duplicates Z: 19 32.889 2.014 1.079 0.880 0.944 0.722 CB 1.420 19 residues pruned to eliminate duplicates Z: 8 4.533 1.589 0.438 0.487 0.714 0.429 CB 1.064 Z: 13 24.634 2.146 0.673 0.876 1.000 0.833 CB 1.439 13 residues pruned to eliminate duplicates Z: 6 3.640 1.967 0.674 0.774 0.600 0.600 CB 0.647 6 residues pruned to eliminate duplicates Z: 11 8.746 1.629 0.547 0.548 1.000 0.700 CB 1.047 Z: 24 12.316 1.623 0.426 0.688 0.913 0.435 CB 1.022 24 residues pruned to eliminate duplicates Z: 16 10.264 1.642 0.387 0.727 0.867 0.400 CB 1.094 16 residues pruned to eliminate duplicates Z: 19 27.169 1.948 0.935 0.934 0.944 0.722 CB 1.255 19 residues pruned to eliminate duplicates Z: 27 26.522 2.138 0.673 0.585 0.885 0.731 CB 1.515 27 residues pruned to eliminate duplicates Z: 12 3.708 1.863 0.050 0.323 0.818 0.455 CB 0.849 Z: 9 3.969 1.491 0.718 0.310 0.625 0.500 N 1.082 Z: 40 46.698 2.095 0.951 0.716 1.000 0.769 CB 1.505 40 residues pruned to eliminate duplicates Z: 7 2.176 0.872 1.019 0.516 0.833 0.667 CA 0.596 Z: 8 15.596 1.864 0.701 0.816 1.000 0.571 CB 1.412 8 residues pruned to eliminate duplicates Z: 13 19.243 1.985 0.728 0.934 1.000 0.917 CB 1.129 13 residues pruned to eliminate duplicates Z: 41 28.935 1.898 0.950 0.564 0.925 0.475 CB 1.256 41 residues pruned to eliminate duplicates Z: 13 18.160 1.993 0.716 0.788 0.917 0.500 CB 1.298 13 residues pruned to eliminate duplicates Z: 19 17.247 1.918 0.820 0.554 0.889 0.778 CB 1.243 19 residues pruned to eliminate duplicates Z: 34 24.116 2.037 0.748 0.509 0.879 0.667 CB 1.329 34 residues pruned to eliminate duplicates Z: 6 3.095 1.894 0.241 0.250 0.600 0.200 CB 1.309 6 residues pruned to eliminate duplicates Z: 14 27.431 2.098 0.708 0.898 1.000 1.000 CA 1.519 14 residues pruned to eliminate duplicates Z: 16 16.460 1.945 0.461 0.728 0.933 0.800 CB 1.305 16 residues pruned to eliminate duplicates Z: 26 16.477 1.967 0.627 0.444 0.880 0.520 CB 1.240 26 residues pruned to eliminate duplicates Z: 14 34.528 2.150 1.009 0.923 1.000 0.846 CB 1.558 14 residues pruned to eliminate duplicates Z: 12 14.343 1.716 0.513 0.841 1.000 0.727 CB 1.242 12 residues pruned to eliminate duplicates Z: 20 28.041 2.026 0.986 0.836 0.947 0.789 CB 1.263 20 residues pruned to eliminate duplicates Z: 78 33.415 1.987 0.677 0.528 0.870 0.662 CB 1.278 78 residues pruned to eliminate duplicates Z: 22 16.843 1.961 0.757 0.612 0.857 0.619 CB 1.119 22 residues pruned to eliminate duplicates Z: 13 20.591 1.999 0.954 0.855 0.917 0.750 CB 1.225 13 residues pruned to eliminate duplicates Z: 10 7.323 1.745 0.694 0.884 1.000 0.889 CB 0.597 Z: 6 5.610 1.466 1.199 0.614 0.800 0.400 CB 0.873 Z: 6 7.771 1.933 0.729 0.798 1.000 0.800 CB 0.801 Z: 14 22.471 1.822 0.887 0.868 0.923 0.846 CB 1.435 14 residues pruned to eliminate duplicates Z: 6 3.634 1.704 0.270 0.266 0.800 0.400 CB 1.226 Z: 10 10.943 1.818 0.295 0.800 1.000 0.444 CB 1.192 10 residues pruned to eliminate duplicates Z: 14 15.406 2.012 0.840 0.519 0.923 0.923 CB 1.227 14 residues pruned to eliminate duplicates Z: 52 47.579 2.089 0.914 0.674 0.941 0.647 CB 1.507 52 residues pruned to eliminate duplicates Z: 13 9.844 1.804 0.591 0.291 0.833 0.250 CB 1.502 13 residues pruned to eliminate duplicates Z: 8 4.250 1.690 0.525 0.420 0.714 0.429 CB 0.948 Z: 25 20.675 1.955 0.902 0.651 0.917 0.458 CB 1.076 25 residues pruned to eliminate duplicates Z: 16 12.519 1.909 0.660 0.435 0.867 0.533 CB 1.259 17 residues pruned to eliminate duplicates Z: 11 10.845 1.775 0.705 0.479 0.800 0.400 N 1.447 11 residues pruned to eliminate duplicates Z: 53 28.815 2.016 0.720 0.506 0.904 0.558 CB 1.266 53 residues pruned to eliminate duplicates Z: 10 7.586 1.518 0.877 0.688 0.778 0.556 CB 0.960 10 residues pruned to eliminate duplicates Z: 34 19.558 1.870 0.750 0.512 0.879 0.545 CB 1.170 34 residues pruned to eliminate duplicates Z: 62 32.496 1.983 0.718 0.506 0.869 0.590 CB 1.398 62 residues pruned to eliminate duplicates Z: 9 5.815 1.654 0.371 0.455 0.750 0.500 CB 1.266 6 residues pruned to eliminate duplicates Z: 11 3.627 1.820 0.023 0.449 0.800 0.600 CB 0.812 10 residues pruned to eliminate duplicates Z: 20 4.842 1.570 0.231 0.299 0.737 0.474 CB 0.976 20 residues pruned to eliminate duplicates Z: 16 16.273 1.844 0.772 0.620 0.867 0.600 CB 1.325 16 residues pruned to eliminate duplicates Z: 7 3.712 1.514 0.628 0.509 0.667 0.500 N 0.914 7 residues pruned to eliminate duplicates Z: 7 4.142 1.325 0.972 0.326 0.833 0.667 N 0.939 Z: 29 19.376 2.038 0.570 0.447 0.964 0.643 CB 1.254 29 residues pruned to eliminate duplicates Z: 14 6.723 1.655 0.568 0.357 0.692 0.462 CB 1.211 9 residues pruned to eliminate duplicates Z: 82 45.883 2.107 0.714 0.533 0.901 0.654 CB 1.516 82 residues pruned to eliminate duplicates Z: 14 24.887 1.980 0.796 0.916 1.000 0.923 CB 1.371 14 residues pruned to eliminate duplicates Z: 10 8.714 1.754 0.402 0.686 1.000 0.444 CB 0.997 Z: 27 20.042 2.006 0.740 0.393 0.885 0.615 CB 1.425 27 residues pruned to eliminate duplicates Z: 17 14.758 1.923 0.670 0.476 0.875 0.500 CB 1.346 17 residues pruned to eliminate duplicates Z: 43 32.065 2.035 0.741 0.593 0.976 0.643 CB 1.309 43 residues pruned to eliminate duplicates Z: 41 20.517 2.020 0.470 0.413 0.950 0.775 CB 1.259 41 residues pruned to eliminate duplicates Z: 12 17.280 1.749 0.613 0.851 1.000 0.909 CB 1.367 12 residues pruned to eliminate duplicates Z: 12 9.812 1.797 0.571 0.523 0.909 0.636 CB 1.126 12 residues pruned to eliminate duplicates Z: 10 6.126 1.581 0.626 0.614 0.778 0.333 CB 0.917 10 residues pruned to eliminate duplicates Z: 12 20.634 1.751 1.040 0.880 0.909 0.545 CB 1.388 12 residues pruned to eliminate duplicates Z: 7 6.418 1.619 0.371 0.720 0.833 0.500 O 1.161 Z: 22 14.328 1.812 0.726 0.497 0.762 0.429 CB 1.316 22 residues pruned to eliminate duplicates Z: 8 3.432 1.593 0.337 0.239 0.714 0.571 CB 1.154 Z: 36 17.238 1.884 0.659 0.425 0.857 0.457 CB 1.175 35 residues pruned to eliminate duplicates Z: 11 11.131 1.916 0.529 0.480 0.900 0.600 CB 1.362 11 residues pruned to eliminate duplicates 7 1.794 1.590 0.653 0.616 0.833 0.500 CB 0.300 ? Z: 6 2.044 1.653 0.955 0.833 1.000 0.600 CB 0.212 Z: 25 21.404 2.059 0.592 0.600 0.917 0.625 CB 1.322 25 residues pruned to eliminate duplicates Z: 6 6.685 1.707 0.362 0.653 0.800 0.600 CB 1.393 6 residues pruned to eliminate duplicates Z: 55 35.495 2.025 0.802 0.598 0.907 0.667 CB 1.328 55 residues pruned to eliminate duplicates Z: 16 10.355 1.807 0.896 0.395 0.733 0.467 CB 1.190 16 residues pruned to eliminate duplicates Z: 6 9.172 1.816 0.750 0.850 1.000 1.000 CB 0.956 6 residues pruned to eliminate duplicates Z: 10 13.332 1.943 0.546 0.791 0.778 0.556 CB 1.474 10 residues pruned to eliminate duplicates 6 1.630 1.960 -0.340 0.667 0.800 0.600 CB 0.603 ? Z: 33 24.126 2.067 0.681 0.522 0.875 0.625 CB 1.372 33 residues pruned to eliminate duplicates Z: 35 36.046 1.993 1.015 0.657 0.912 0.735 CB 1.459 35 residues pruned to eliminate duplicates Z: 38 17.985 1.889 0.656 0.409 0.838 0.432 CB 1.241 38 residues pruned to eliminate duplicates Z: 34 27.057 1.898 0.689 0.606 0.909 0.576 CB 1.462 34 residues pruned to eliminate duplicates Z: 49 29.700 1.960 0.787 0.497 0.896 0.583 CB 1.370 49 residues pruned to eliminate duplicates Z: 9 4.789 1.594 0.414 0.529 0.750 0.500 CB 0.974 Z: 12 12.958 1.743 0.635 0.784 0.909 0.455 CB 1.174 12 residues pruned to eliminate duplicates Z: 54 48.246 2.066 0.935 0.648 0.981 0.660 CB 1.472 54 residues pruned to eliminate duplicates Z: 31 11.705 1.848 0.439 0.262 0.833 0.533 CB 1.265 31 residues pruned to eliminate duplicates 7 1.329 1.481 -0.113 0.366 0.833 0.500 CB 0.572 ? Z: 29 16.417 1.988 0.679 0.311 0.893 0.500 CB 1.284 29 residues pruned to eliminate duplicates Z: 27 19.717 2.045 0.737 0.465 0.885 0.692 CB 1.275 27 residues pruned to eliminate duplicates Z: 7 5.470 1.779 1.269 0.811 1.000 0.833 CB 0.422 Z: 9 7.439 1.770 0.751 0.907 1.000 1.000 CB 0.603 10 residues pruned to eliminate duplicates Z: 17 20.647 2.070 0.524 0.735 1.000 0.875 CB 1.325 17 residues pruned to eliminate duplicates Z: 9 8.788 1.633 0.933 0.619 0.875 0.750 N 1.005 6 residues pruned to eliminate duplicates Z: 8 7.393 1.629 0.861 0.477 0.714 0.571 N 1.321 Z: 19 14.140 1.840 0.572 0.559 0.889 0.556 CB 1.224 19 residues pruned to eliminate duplicates Z: 57 26.429 2.000 0.645 0.399 0.893 0.643 CB 1.337 57 residues pruned to eliminate duplicates Z: 8 3.614 1.539 0.555 0.438 0.571 0.286 CB 1.064 8 residues pruned to eliminate duplicates Z: 6 2.350 1.679 0.147 0.370 0.600 0.600 CB 1.046 6 residues pruned to eliminate duplicates Z: 6 7.767 1.552 0.511 0.823 1.000 0.800 CB 1.120 6 residues pruned to eliminate duplicates Z: 14 17.214 1.870 0.891 0.640 1.000 0.538 CB 1.184 13 residues pruned to eliminate duplicates Z: 13 10.590 1.899 0.755 0.288 0.917 0.500 CB 1.270 13 residues pruned to eliminate duplicates Z: 36 24.192 2.010 0.688 0.429 0.971 0.657 CB 1.336 36 residues pruned to eliminate duplicates Z: 13 13.319 1.880 0.529 0.752 0.917 0.917 CB 1.166 13 residues pruned to eliminate duplicates Z: 7 6.461 1.927 0.457 0.562 0.667 0.667 CB 1.327 7 residues pruned to eliminate duplicates Z: 12 13.381 1.656 0.481 0.828 1.000 0.727 CB 1.239 12 residues pruned to eliminate duplicates Z: 10 15.628 2.038 0.704 0.854 0.889 0.667 CB 1.246 10 residues pruned to eliminate duplicates Z: 6 3.541 1.441 0.945 0.527 0.600 0.600 CB 0.917 Z: 8 16.150 1.759 0.846 0.835 1.000 0.857 CB 1.409 8 residues pruned to eliminate duplicates Z: 6 4.460 1.608 0.582 0.275 0.800 0.600 N 1.265 Z: 19 24.849 1.966 0.592 0.922 1.000 0.889 CB 1.316 19 residues pruned to eliminate duplicates Z: 7 7.342 1.721 0.770 0.552 0.667 0.667 O 1.402 Z: 7 3.397 1.729 0.178 0.333 0.833 0.667 CB 0.981 Z: 20 28.330 1.977 0.735 0.853 0.947 0.684 CB 1.479 20 residues pruned to eliminate duplicates Z: 6 2.965 1.591 0.601 0.631 0.800 0.400 CB 0.575 Z: 11 14.256 1.817 0.690 0.770 0.900 0.500 CB 1.285 11 residues pruned to eliminate duplicates Z: 18 25.974 2.094 0.945 0.642 0.941 0.647 CB 1.439 18 residues pruned to eliminate duplicates Z: 25 15.789 1.902 0.596 0.479 0.917 0.625 CB 1.183 37 residues pruned to eliminate duplicates Z: 6 4.710 1.991 -0.022 0.558 1.000 0.600 CB 1.023 Z: 12 19.134 1.682 0.768 0.890 1.000 0.727 CB 1.395 Z: 15 14.656 1.944 0.568 0.477 0.929 0.643 CB 1.418 15 residues pruned to eliminate duplicates Z: 12 12.164 1.798 0.654 0.759 0.818 0.364 CB 1.198 12 residues pruned to eliminate duplicates Z: 6 3.169 1.508 1.319 0.459 0.400 0.400 N 1.057 Z: 13 11.396 1.990 0.377 0.392 0.833 0.583 CB 1.615 13 residues pruned to eliminate duplicates Z: 55 34.490 2.057 0.691 0.568 0.944 0.648 CB 1.338 55 residues pruned to eliminate duplicates Z: 15 25.715 2.023 0.717 0.892 1.000 0.857 CB 1.421 15 residues pruned to eliminate duplicates Z: 10 5.982 1.570 0.414 0.469 0.889 0.333 CB 1.043 Z: 16 8.441 1.913 0.461 0.249 0.800 0.467 CB 1.303 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 2.847 1.753 0.563 0.523 0.833 0.500 CB 0.498 7 residues pruned to eliminate duplicates Z: 7 3.996 1.767 0.167 0.633 0.833 0.667 CB 0.838 8 residues pruned to eliminate duplicates Z: 6 3.398 1.838 0.449 0.737 0.800 0.800 CB 0.576 6 residues pruned to eliminate duplicates Z: 7 8.827 1.484 1.123 0.741 0.833 0.333 N 1.106 7 residues pruned to eliminate duplicates Z: 13 4.445 1.700 0.737 0.603 0.750 0.667 CB 0.525 10 residues pruned to eliminate duplicates Z: 10 6.449 1.773 0.586 0.903 1.000 1.000 CB 0.545 10 residues pruned to eliminate duplicates Z: 10 6.339 1.824 0.825 0.783 0.889 0.889 CB 0.557 10 residues pruned to eliminate duplicates Z: 10 5.536 1.671 0.873 0.556 0.889 0.667 CB 0.628 10 residues pruned to eliminate duplicates Z: 12 8.114 1.766 0.537 0.386 0.909 0.545 CB 1.119 12 residues pruned to eliminate duplicates Z: 17 14.017 1.809 0.783 0.566 0.875 0.688 CB 1.165 16 residues pruned to eliminate duplicates Z: 20 18.488 1.831 0.660 0.663 0.895 0.579 CB 1.340 23 residues pruned to eliminate duplicates Z: 21 18.152 1.758 0.772 0.694 0.850 0.700 CB 1.284 21 residues pruned to eliminate duplicates Z: 20 18.713 1.909 0.633 0.647 0.895 0.579 CB 1.342 18 residues pruned to eliminate duplicates Z: 15 17.923 1.856 0.696 0.737 1.000 0.786 CB 1.230 15 residues pruned to eliminate duplicates Z: 17 15.712 1.856 0.723 0.523 0.938 0.625 CB 1.281 17 residues pruned to eliminate duplicates Z: 39 23.023 1.889 0.655 0.586 0.842 0.658 CB 1.306 39 residues pruned to eliminate duplicates Z: 36 18.033 1.852 0.560 0.519 0.829 0.486 CB 1.251 36 residues pruned to eliminate duplicates Z: 19 20.456 1.889 0.612 0.699 0.944 0.500 CB 1.398 19 residues pruned to eliminate duplicates Z: 17 18.929 1.934 0.695 0.635 0.875 0.500 CB 1.454 17 residues pruned to eliminate duplicates Z: 37 27.118 1.959 0.669 0.637 0.889 0.528 CB 1.368 37 residues pruned to eliminate duplicates Z: 31 22.852 1.863 0.683 0.648 0.967 0.667 CB 1.200 31 residues pruned to eliminate duplicates Z: 17 17.989 1.859 0.749 0.730 0.875 0.625 CB 1.285 17 residues pruned to eliminate duplicates Z: 23 17.167 1.844 0.612 0.537 0.864 0.409 CB 1.374 23 residues pruned to eliminate duplicates Z: 39 27.409 1.919 0.707 0.626 0.947 0.605 CB 1.272 39 residues pruned to eliminate duplicates Z: 19 19.900 1.777 0.866 0.667 0.944 0.667 CB 1.283 19 residues pruned to eliminate duplicates Z: 47 25.127 1.930 0.644 0.552 0.870 0.565 CB 1.277 47 residues pruned to eliminate duplicates Z: 62 30.576 1.942 0.627 0.578 0.918 0.607 CB 1.252 62 residues pruned to eliminate duplicates Z: 50 26.230 1.892 0.584 0.540 0.918 0.551 CB 1.309 50 residues pruned to eliminate duplicates Z: 20 22.093 1.917 0.808 0.656 0.842 0.526 CB 1.503 20 residues pruned to eliminate duplicates Z: 36 26.422 1.950 0.543 0.632 0.971 0.543 CB 1.350 36 residues pruned to eliminate duplicates Z: 35 24.180 1.945 0.489 0.661 0.912 0.588 CB 1.353 35 residues pruned to eliminate duplicates Z: 46 26.265 1.968 0.656 0.549 0.889 0.444 CB 1.289 46 residues pruned to eliminate duplicates Z: 41 27.179 1.915 0.718 0.611 0.950 0.600 CB 1.238 41 residues pruned to eliminate duplicates Z: 22 20.133 1.972 0.965 0.634 0.952 0.571 CB 1.050 22 residues pruned to eliminate duplicates Z: 84 40.824 1.940 0.764 0.632 0.928 0.566 CB 1.246 44 residues pruned to eliminate duplicates Z: 21 22.231 1.918 0.725 0.821 1.000 0.500 CB 1.138 21 residues pruned to eliminate duplicates Z: 37 24.666 1.887 0.783 0.630 0.917 0.444 CB 1.180 37 residues pruned to eliminate duplicates Z: 28 17.777 1.846 0.790 0.689 0.852 0.259 CB 1.022 28 residues pruned to eliminate duplicates Z: 45 29.261 1.948 0.903 0.616 0.864 0.432 CB 1.234 45 residues pruned to eliminate duplicates Z: 21 16.143 1.801 0.789 0.574 0.850 0.100 CB 1.228 21 residues pruned to eliminate duplicates Z: 35 22.370 1.896 0.927 0.680 0.882 0.471 CB 1.009 35 residues pruned to eliminate duplicates Z: 17 11.784 1.884 0.597 0.406 0.812 0.375 CB 1.330 17 residues pruned to eliminate duplicates Z: 48 26.486 1.948 0.745 0.607 0.851 0.489 CB 1.207 48 residues pruned to eliminate duplicates Z: 56 32.967 1.947 0.780 0.612 0.927 0.473 CB 1.244 56 residues pruned to eliminate duplicates Z: 71 31.844 1.945 0.785 0.549 0.829 0.643 CB 1.261 71 residues pruned to eliminate duplicates Z: 46 24.033 1.921 0.780 0.579 0.867 0.533 CB 1.120 46 residues pruned to eliminate duplicates Z: 46 24.583 1.932 0.583 0.542 0.867 0.556 CB 1.326 46 residues pruned to eliminate duplicates Z: 45 31.381 1.959 0.823 0.635 0.886 0.614 CB 1.317 45 residues pruned to eliminate duplicates Z: 47 30.679 1.943 0.794 0.634 0.913 0.630 CB 1.254 47 residues pruned to eliminate duplicates Z: 47 29.750 1.940 0.776 0.625 0.935 0.652 CB 1.211 47 residues pruned to eliminate duplicates Z: 64 42.300 1.989 0.801 0.643 0.937 0.667 CB 1.390 64 residues pruned to eliminate duplicates Z: 67 31.035 1.914 0.722 0.578 0.848 0.545 CB 1.267 67 residues pruned to eliminate duplicates Z: 29 17.060 1.965 0.536 0.460 0.821 0.571 CB 1.355 29 residues pruned to eliminate duplicates Z: 18 24.122 2.083 0.796 0.669 0.941 0.824 CB 1.421 18 residues pruned to eliminate duplicates Z: 18 17.857 2.046 0.491 0.689 1.000 0.765 CB 1.194 18 residues pruned to eliminate duplicates Z: 20 17.679 1.939 0.639 0.608 0.895 0.737 CB 1.286 20 residues pruned to eliminate duplicates Z: 29 15.445 1.915 0.410 0.528 0.893 0.607 CB 1.177 29 residues pruned to eliminate duplicates Z: 14 17.959 2.103 0.800 0.586 0.923 0.923 CB 1.312 14 residues pruned to eliminate duplicates Z: 18 19.278 2.062 0.574 0.697 1.000 0.882 CB 1.203 18 residues pruned to eliminate duplicates Z: 22 13.337 1.964 0.398 0.587 0.952 0.714 CB 1.024 22 residues pruned to eliminate duplicates Z: 18 16.534 2.055 0.470 0.656 0.941 0.882 CB 1.220 18 residues pruned to eliminate duplicates Z: 17 21.322 2.092 0.683 0.698 1.000 0.875 CB 1.264 17 residues pruned to eliminate duplicates Z: 64 36.968 1.996 0.664 0.628 0.921 0.556 CB 1.351 64 residues pruned to eliminate duplicates Z: 19 17.908 2.012 0.603 0.615 0.889 0.778 CB 1.319 19 residues pruned to eliminate duplicates Z: 18 19.509 2.079 0.643 0.707 1.000 0.882 CB 1.148 18 residues pruned to eliminate duplicates Z: 18 16.936 2.072 0.678 0.673 0.882 0.882 CB 1.141 18 residues pruned to eliminate duplicates Z: 51 24.731 1.983 0.727 0.397 0.920 0.540 CB 1.237 51 residues pruned to eliminate duplicates Z: 88 32.948 1.972 0.734 0.467 0.828 0.609 CB 1.291 88 residues pruned to eliminate duplicates Z: 44 20.755 2.021 0.554 0.418 0.837 0.605 CB 1.311 44 residues pruned to eliminate duplicates Z: 45 24.222 2.017 0.685 0.438 0.909 0.636 CB 1.260 45 residues pruned to eliminate duplicates Z: 16 14.105 2.024 0.721 0.347 0.933 0.733 CB 1.323 16 residues pruned to eliminate duplicates Z: 47 25.571 2.026 0.815 0.423 0.848 0.609 CB 1.310 47 residues pruned to eliminate duplicates Z: 42 23.504 2.031 0.664 0.429 0.951 0.659 CB 1.229 42 residues pruned to eliminate duplicates Z: 47 22.765 1.984 0.749 0.421 0.848 0.674 CB 1.239 47 residues pruned to eliminate duplicates Z: 44 24.543 1.980 0.607 0.424 0.953 0.674 CB 1.335 44 residues pruned to eliminate duplicates Z: 31 22.209 2.040 0.708 0.493 0.900 0.667 CB 1.303 31 residues pruned to eliminate duplicates Z: 43 22.073 2.015 0.622 0.426 0.929 0.595 CB 1.213 43 residues pruned to eliminate duplicates Z: 44 19.627 2.023 0.525 0.436 0.884 0.628 CB 1.173 44 residues pruned to eliminate duplicates Z: 44 24.813 2.048 0.683 0.426 0.884 0.674 CB 1.341 44 residues pruned to eliminate duplicates Z: 79 36.483 1.985 0.779 0.564 0.859 0.577 CB 1.280 79 residues pruned to eliminate duplicates Z: 28 14.664 1.975 0.596 0.294 0.852 0.481 CB 1.324 28 residues pruned to eliminate duplicates Z: 38 14.783 1.881 0.650 0.351 0.838 0.486 CB 1.098 38 residues pruned to eliminate duplicates Z: 42 23.115 2.028 0.533 0.402 0.951 0.707 CB 1.354 42 residues pruned to eliminate duplicates Z: 91 35.784 1.970 0.712 0.510 0.878 0.544 CB 1.261 91 residues pruned to eliminate duplicates Z: 28 19.520 1.994 0.758 0.341 0.963 0.556 CB 1.323 28 residues pruned to eliminate duplicates Z: 12 7.420 2.034 0.379 0.212 0.909 0.727 CB 1.232 12 residues pruned to eliminate duplicates Z: 29 24.372 2.080 0.698 0.574 0.929 0.821 CB 1.308 29 residues pruned to eliminate duplicates Z: 47 25.421 1.994 0.660 0.402 0.935 0.630 CB 1.343 47 residues pruned to eliminate duplicates Z: 22 12.008 2.047 0.536 0.345 0.857 0.714 CB 1.151 22 residues pruned to eliminate duplicates Z: 53 24.251 1.959 0.574 0.399 0.904 0.596 CB 1.343 53 residues pruned to eliminate duplicates Z: 27 14.506 2.004 0.528 0.301 0.846 0.538 CB 1.372 27 residues pruned to eliminate duplicates Z: 41 27.975 2.037 0.751 0.449 0.975 0.750 CB 1.339 41 residues pruned to eliminate duplicates Z: 49 23.944 1.939 0.677 0.405 0.917 0.646 CB 1.281 49 residues pruned to eliminate duplicates Z: 29 20.309 2.079 0.389 0.558 0.964 0.893 CB 1.302 29 residues pruned to eliminate duplicates Z: 64 30.591 2.035 0.548 0.494 0.937 0.730 CB 1.314 64 residues pruned to eliminate duplicates Z: 66 29.962 2.029 0.598 0.483 0.923 0.769 CB 1.263 66 residues pruned to eliminate duplicates Z: 51 22.969 1.989 0.495 0.474 0.900 0.680 CB 1.246 51 residues pruned to eliminate duplicates Z: 84 34.252 2.010 0.629 0.466 0.928 0.675 CB 1.281 84 residues pruned to eliminate duplicates Z: 66 27.988 2.016 0.588 0.487 0.908 0.723 CB 1.211 66 residues pruned to eliminate duplicates Z: 73 32.725 2.049 0.656 0.501 0.931 0.681 CB 1.220 73 residues pruned to eliminate duplicates Z: 21 19.703 2.057 0.481 0.578 0.950 0.800 CB 1.412 21 residues pruned to eliminate duplicates Z: 28 19.345 2.030 0.473 0.560 0.889 0.741 CB 1.321 28 residues pruned to eliminate duplicates Z: 34 19.020 2.021 0.467 0.470 0.909 0.788 CB 1.267 34 residues pruned to eliminate duplicates Z: 64 30.697 2.038 0.555 0.512 0.952 0.762 CB 1.266 64 residues pruned to eliminate duplicates Z: 22 21.990 2.054 0.520 0.639 1.000 0.857 CB 1.350 22 residues pruned to eliminate duplicates Z: 34 20.735 2.044 0.567 0.446 0.939 0.697 CB 1.267 34 residues pruned to eliminate duplicates Z: 48 25.212 2.054 0.527 0.488 0.915 0.723 CB 1.296 48 residues pruned to eliminate duplicates Z: 25 20.061 2.090 0.437 0.601 0.958 0.833 CB 1.292 25 residues pruned to eliminate duplicates Z: 66 30.178 2.049 0.639 0.493 0.877 0.631 CB 1.279 66 residues pruned to eliminate duplicates Z: 65 26.653 2.041 0.532 0.461 0.875 0.656 CB 1.267 65 residues pruned to eliminate duplicates Z: 22 19.028 2.055 0.475 0.601 0.905 0.857 CB 1.375 22 residues pruned to eliminate duplicates Z: 21 22.915 2.085 0.512 0.668 1.000 0.900 CB 1.392 21 residues pruned to eliminate duplicates Z: 21 23.250 2.071 0.582 0.655 1.000 0.800 CB 1.373 21 residues pruned to eliminate duplicates Z: 23 21.935 2.059 0.645 0.615 0.909 0.773 CB 1.362 23 residues pruned to eliminate duplicates Z: 65 29.852 2.010 0.555 0.490 0.953 0.625 CB 1.266 65 residues pruned to eliminate duplicates Z: 27 21.867 2.076 0.598 0.573 0.923 0.692 CB 1.305 27 residues pruned to eliminate duplicates Z: 23 22.649 2.095 0.668 0.644 0.909 0.864 CB 1.330 23 residues pruned to eliminate duplicates Z: 46 26.777 2.035 0.627 0.524 0.956 0.733 CB 1.231 46 residues pruned to eliminate duplicates Z: 21 21.981 2.047 0.787 0.652 0.900 0.750 CB 1.296 21 residues pruned to eliminate duplicates Z: 35 24.582 1.996 0.617 0.535 0.971 0.618 CB 1.300 35 residues pruned to eliminate duplicates Z: 21 20.823 2.037 0.633 0.631 0.900 0.700 CB 1.375 21 residues pruned to eliminate duplicates Z: 52 28.390 1.947 0.550 0.585 0.922 0.706 CB 1.318 52 residues pruned to eliminate duplicates Z: 36 23.898 1.954 0.529 0.593 0.914 0.571 CB 1.353 36 residues pruned to eliminate duplicates Z: 25 22.041 2.000 0.599 0.643 1.000 0.750 CB 1.231 25 residues pruned to eliminate duplicates Z: 14 17.805 2.066 0.750 0.559 1.000 0.692 CB 1.289 14 residues pruned to eliminate duplicates Z: 20 24.478 2.069 0.757 0.758 0.947 0.789 CB 1.296 20 residues pruned to eliminate duplicates Z: 34 26.011 1.992 0.579 0.654 0.939 0.636 CB 1.328 34 residues pruned to eliminate duplicates Z: 20 21.349 2.030 0.750 0.707 0.895 0.789 CB 1.277 20 residues pruned to eliminate duplicates Z: 22 20.376 1.990 0.773 0.647 0.952 0.714 CB 1.153 21 residues pruned to eliminate duplicates Z: 14 21.403 1.941 0.722 0.889 1.000 0.769 CB 1.279 14 residues pruned to eliminate duplicates Z: 86 47.551 2.050 0.727 0.602 0.929 0.576 CB 1.423 60 residues pruned to eliminate duplicates Z: 14 20.580 1.971 0.731 0.843 0.923 0.692 CB 1.349 14 residues pruned to eliminate duplicates Z: 81 39.181 2.000 0.679 0.599 0.900 0.663 CB 1.319 81 residues pruned to eliminate duplicates Z: 23 18.753 1.975 0.771 0.620 0.864 0.636 CB 1.182 23 residues pruned to eliminate duplicates Z: 35 28.087 1.996 0.734 0.623 0.912 0.647 CB 1.359 36 residues pruned to eliminate duplicates Z: 14 21.465 1.857 0.970 0.912 0.923 0.769 CB 1.249 14 residues pruned to eliminate duplicates Z: 34 30.586 1.998 0.820 0.668 0.939 0.515 CB 1.334 32 residues pruned to eliminate duplicates Z: 26 26.652 1.887 0.740 0.724 0.960 0.480 CB 1.381 26 residues pruned to eliminate duplicates Z: 36 31.075 1.987 0.795 0.645 0.971 0.686 CB 1.323 36 residues pruned to eliminate duplicates Z: 37 31.523 2.001 0.820 0.615 0.944 0.583 CB 1.369 39 residues pruned to eliminate duplicates Z: 11 12.824 1.947 0.454 0.793 0.900 0.700 CB 1.231 11 residues pruned to eliminate duplicates Z: 107 47.011 2.002 0.775 0.576 0.896 0.566 CB 1.332 56 residues pruned to eliminate duplicates Z: 12 13.647 1.842 0.346 0.865 0.909 0.636 CB 1.337 12 residues pruned to eliminate duplicates Z: 59 32.905 1.949 0.691 0.587 0.931 0.638 CB 1.296 59 residues pruned to eliminate duplicates Z: 33 28.450 2.016 0.732 0.664 0.938 0.719 CB 1.321 33 residues pruned to eliminate duplicates Z: 39 27.612 1.927 0.802 0.570 0.921 0.632 CB 1.309 39 residues pruned to eliminate duplicates Z: 38 29.124 1.994 0.721 0.638 0.919 0.649 CB 1.335 38 residues pruned to eliminate duplicates Z: 37 32.984 2.017 0.738 0.674 0.917 0.778 CB 1.458 37 residues pruned to eliminate duplicates Z: 38 29.728 1.998 0.686 0.659 0.919 0.757 CB 1.362 38 residues pruned to eliminate duplicates Z: 88 46.352 2.017 0.762 0.599 0.943 0.644 CB 1.350 88 residues pruned to eliminate duplicates Z: 31 33.391 2.039 0.716 0.690 1.000 0.767 CB 1.464 31 residues pruned to eliminate duplicates Z: 102 51.401 2.030 0.800 0.598 0.921 0.644 CB 1.384 103 residues pruned to eliminate duplicates Z: 7 7.849 1.536 0.469 0.685 1.000 0.500 CB 1.199 7 residues pruned to eliminate duplicates Z: 59 28.963 1.923 0.552 0.543 0.914 0.672 CB 1.337 59 residues pruned to eliminate duplicates Z: 14 13.776 1.870 0.523 0.546 0.923 0.692 CB 1.390 14 residues pruned to eliminate duplicates Z: 16 11.826 1.840 0.572 0.477 0.800 0.667 CB 1.350 16 residues pruned to eliminate duplicates Z: 17 13.713 1.800 0.649 0.480 0.938 0.562 CB 1.257 17 residues pruned to eliminate duplicates Z: 20 13.059 1.755 0.632 0.523 0.895 0.579 CB 1.142 20 residues pruned to eliminate duplicates Z: 26 11.628 1.693 0.599 0.414 0.880 0.280 CB 1.069 26 residues pruned to eliminate duplicates Z: 17 13.007 1.806 0.574 0.545 0.875 0.562 CB 1.251 17 residues pruned to eliminate duplicates Z: 51 35.798 1.961 0.810 0.642 0.920 0.700 CB 1.358 51 residues pruned to eliminate duplicates Z: 15 13.315 1.853 0.737 0.579 0.929 0.571 CB 1.104 15 residues pruned to eliminate duplicates Z: 13 16.367 1.886 0.614 0.606 1.000 0.583 CB 1.403 13 residues pruned to eliminate duplicates Z: 52 33.388 1.952 0.740 0.606 0.922 0.529 CB 1.351 52 residues pruned to eliminate duplicates Z: 15 11.606 1.885 0.827 0.491 0.786 0.571 CB 1.157 Z: 7 3.522 1.787 0.445 0.374 0.500 0.000 CB 1.274 7 residues pruned to eliminate duplicates Z: 18 3.385 1.655 0.319 0.187 0.647 0.353 CB 0.846 18 residues pruned to eliminate duplicates Z: 22 6.706 1.779 0.543 0.186 0.619 0.190 CB 1.255 22 residues pruned to eliminate duplicates Z: 41 22.563 1.982 0.573 0.545 0.925 0.600 CB 1.183 41 residues pruned to eliminate duplicates Z: 60 25.032 1.974 0.639 0.455 0.814 0.559 CB 1.297 60 residues pruned to eliminate duplicates Z: 23 16.986 1.974 0.697 0.461 0.955 0.545 CB 1.178 23 residues pruned to eliminate duplicates Z: 25 18.560 1.958 0.654 0.458 0.917 0.500 CB 1.332 25 residues pruned to eliminate duplicates Z: 23 16.619 1.996 0.681 0.502 0.864 0.591 CB 1.221 37 residues pruned to eliminate duplicates Z: 7 4.255 1.258 0.631 0.367 1.000 0.333 CB 0.977 7 residues pruned to eliminate duplicates Z: 23 20.378 1.986 0.817 0.511 0.955 0.545 CB 1.248 23 residues pruned to eliminate duplicates Z: 23 15.550 1.945 0.691 0.510 0.909 0.545 CB 1.098 23 residues pruned to eliminate duplicates Z: 24 12.349 1.889 0.587 0.412 0.739 0.565 CB 1.275 24 residues pruned to eliminate duplicates Z: 20 12.656 1.861 0.594 0.390 0.895 0.368 CB 1.228 20 residues pruned to eliminate duplicates Z: 39 26.567 2.029 0.576 0.631 0.868 0.737 CB 1.373 39 residues pruned to eliminate duplicates Z: 22 17.179 2.010 0.646 0.549 0.857 0.762 CB 1.260 22 residues pruned to eliminate duplicates Z: 41 32.824 2.070 0.855 0.607 0.900 0.700 CB 1.357 41 residues pruned to eliminate duplicates Z: 51 32.718 2.055 0.743 0.563 0.900 0.700 CB 1.350 51 residues pruned to eliminate duplicates Z: 23 15.516 1.936 0.556 0.509 0.818 0.545 CB 1.331 23 residues pruned to eliminate duplicates Z: 25 17.407 1.934 0.557 0.489 0.917 0.625 CB 1.301 25 residues pruned to eliminate duplicates Z: 49 31.090 2.044 0.705 0.526 0.875 0.646 CB 1.434 49 residues pruned to eliminate duplicates Z: 44 27.118 2.003 0.593 0.569 0.907 0.744 CB 1.337 44 residues pruned to eliminate duplicates Z: 18 17.599 2.054 0.698 0.526 0.882 0.529 CB 1.351 18 residues pruned to eliminate duplicates Z: 24 16.173 1.981 0.570 0.452 0.870 0.609 CB 1.310 24 residues pruned to eliminate duplicates Z: 40 27.673 2.056 0.587 0.582 0.923 0.641 CB 1.361 40 residues pruned to eliminate duplicates Z: 41 32.618 2.052 0.671 0.625 0.925 0.700 CB 1.445 41 residues pruned to eliminate duplicates Z: 51 36.439 2.056 0.795 0.588 0.920 0.640 CB 1.395 51 residues pruned to eliminate duplicates Z: 50 32.947 2.050 0.831 0.554 0.857 0.653 CB 1.387 50 residues pruned to eliminate duplicates Z: 53 31.382 2.030 0.713 0.503 0.904 0.500 CB 1.381 53 residues pruned to eliminate duplicates Z: 46 29.208 2.021 0.711 0.537 0.867 0.556 CB 1.400 46 residues pruned to eliminate duplicates Z: 50 35.776 2.052 0.804 0.571 0.918 0.612 CB 1.405 50 residues pruned to eliminate duplicates Z: 51 33.956 2.049 0.702 0.575 0.900 0.700 CB 1.423 51 residues pruned to eliminate duplicates Z: 58 29.547 1.995 0.748 0.535 0.842 0.509 CB 1.287 58 residues pruned to eliminate duplicates Z: 48 34.272 2.105 0.689 0.591 0.894 0.574 CB 1.443 48 residues pruned to eliminate duplicates Z: 46 30.319 2.008 0.762 0.563 0.889 0.667 CB 1.352 46 residues pruned to eliminate duplicates Z: 50 33.922 2.078 0.761 0.599 0.918 0.673 CB 1.313 50 residues pruned to eliminate duplicates Z: 55 34.857 2.050 0.725 0.556 0.907 0.611 CB 1.400 55 residues pruned to eliminate duplicates Z: 52 36.321 2.062 0.768 0.567 0.961 0.647 CB 1.361 52 residues pruned to eliminate duplicates Z: 49 36.064 2.104 0.763 0.580 0.917 0.667 CB 1.418 49 residues pruned to eliminate duplicates Z: 70 40.572 2.022 0.822 0.549 0.928 0.638 CB 1.362 70 residues pruned to eliminate duplicates Z: 49 36.184 2.098 0.739 0.605 0.917 0.667 CB 1.413 49 residues pruned to eliminate duplicates Z: 52 35.019 2.073 0.746 0.591 0.941 0.647 CB 1.319 52 residues pruned to eliminate duplicates Z: 59 36.438 2.023 0.775 0.560 0.879 0.603 CB 1.429 59 residues pruned to eliminate duplicates Z: 52 36.460 2.056 0.758 0.577 0.941 0.588 CB 1.394 52 residues pruned to eliminate duplicates Z: 52 36.622 2.066 0.809 0.583 0.902 0.569 CB 1.405 52 residues pruned to eliminate duplicates Z: 51 38.081 2.081 0.767 0.604 0.980 0.740 CB 1.354 51 residues pruned to eliminate duplicates Z: 10 16.079 2.089 0.770 0.530 1.000 0.667 CB 1.408 10 residues pruned to eliminate duplicates Z: 60 30.061 2.002 0.622 0.530 0.864 0.559 CB 1.354 60 residues pruned to eliminate duplicates Z: 55 34.659 2.048 0.642 0.561 0.944 0.704 CB 1.400 55 residues pruned to eliminate duplicates Z: 74 39.825 2.060 0.702 0.577 0.918 0.630 CB 1.345 74 residues pruned to eliminate duplicates Z: 15 13.352 2.094 0.716 0.429 0.786 0.429 CB 1.360 15 residues pruned to eliminate duplicates Z: 51 34.681 2.067 0.701 0.594 0.920 0.640 CB 1.386 51 residues pruned to eliminate duplicates Z: 50 35.495 2.085 0.786 0.624 0.878 0.551 CB 1.380 50 residues pruned to eliminate duplicates Z: 51 37.319 2.097 0.723 0.607 0.940 0.700 CB 1.403 51 residues pruned to eliminate duplicates Z: 42 41.329 2.062 0.772 0.724 0.976 0.707 CB 1.479 42 residues pruned to eliminate duplicates Z: 46 44.166 2.079 0.909 0.675 0.956 0.644 CB 1.478 46 residues pruned to eliminate duplicates Z: 44 47.166 2.147 0.814 0.730 0.977 0.791 CB 1.537 44 residues pruned to eliminate duplicates Z: 38 42.325 2.137 0.913 0.668 0.946 0.757 CB 1.541 38 residues pruned to eliminate duplicates Z: 37 41.161 2.136 0.897 0.703 0.917 0.750 CB 1.535 37 residues pruned to eliminate duplicates Z: 50 43.835 2.118 0.763 0.681 0.959 0.714 CB 1.480 50 residues pruned to eliminate duplicates Z: 52 43.869 2.113 0.793 0.637 0.980 0.765 CB 1.454 52 residues pruned to eliminate duplicates Z: 37 40.435 2.170 0.837 0.717 0.944 0.722 CB 1.471 37 residues pruned to eliminate duplicates Z: 45 44.306 2.127 0.798 0.685 0.955 0.750 CB 1.544 45 residues pruned to eliminate duplicates Z: 44 42.276 2.118 0.784 0.736 0.977 0.767 CB 1.413 44 residues pruned to eliminate duplicates Z: 40 42.860 2.134 0.936 0.674 0.949 0.744 CB 1.492 40 residues pruned to eliminate duplicates Z: 20 30.983 2.086 0.852 0.724 0.895 0.579 CB 1.680 20 residues pruned to eliminate duplicates Z: 51 38.971 2.086 0.820 0.657 0.900 0.620 CB 1.393 51 residues pruned to eliminate duplicates Z: 42 43.609 2.120 0.846 0.727 0.951 0.732 CB 1.492 42 residues pruned to eliminate duplicates Z: 43 45.349 2.109 0.910 0.707 0.929 0.524 CB 1.549 43 residues pruned to eliminate duplicates Z: 11 19.187 1.926 0.593 0.742 1.000 0.700 CB 1.591 11 residues pruned to eliminate duplicates Z: 45 43.949 2.131 0.777 0.687 0.955 0.727 CB 1.545 45 residues pruned to eliminate duplicates Z: 48 40.383 2.061 0.760 0.706 0.957 0.660 CB 1.406 39 residues pruned to eliminate duplicates Z: 11 10.652 1.839 0.570 0.661 0.700 0.600 CB 1.436 11 residues pruned to eliminate duplicates Z: 44 45.449 2.148 0.845 0.714 0.953 0.767 CB 1.510 44 residues pruned to eliminate duplicates Z: 44 48.718 2.161 0.907 0.685 0.953 0.744 CB 1.596 44 residues pruned to eliminate duplicates Z: 53 44.574 2.113 0.809 0.654 0.942 0.673 CB 1.488 53 residues pruned to eliminate duplicates Z: 43 43.593 2.118 0.797 0.700 0.929 0.714 CB 1.586 43 residues pruned to eliminate duplicates Z: 53 43.086 2.087 0.851 0.619 0.942 0.654 CB 1.467 53 residues pruned to eliminate duplicates Z: 45 48.046 2.140 0.945 0.704 0.955 0.773 CB 1.514 45 residues pruned to eliminate duplicates Z: 39 48.403 2.188 0.924 0.707 1.000 0.711 CB 1.546 39 residues pruned to eliminate duplicates Z: 45 42.247 2.096 0.859 0.695 0.955 0.773 CB 1.433 45 residues pruned to eliminate duplicates Z: 28 37.502 2.045 0.920 0.741 0.963 0.815 CB 1.539 28 residues pruned to eliminate duplicates Z: 49 39.356 2.072 0.860 0.641 0.875 0.688 CB 1.477 49 residues pruned to eliminate duplicates Z: 70 47.817 2.071 0.899 0.629 0.913 0.725 CB 1.420 70 residues pruned to eliminate duplicates Z: 52 46.312 2.120 0.814 0.651 0.941 0.745 CB 1.557 52 residues pruned to eliminate duplicates Z: 55 42.480 2.070 0.842 0.634 0.926 0.630 CB 1.445 55 residues pruned to eliminate duplicates Z: 57 45.128 2.060 0.915 0.612 0.929 0.571 CB 1.481 57 residues pruned to eliminate duplicates Z: 29 38.935 2.034 1.088 0.725 0.964 0.679 CB 1.467 29 residues pruned to eliminate duplicates Z: 53 47.924 2.116 0.886 0.650 0.942 0.654 CB 1.537 53 residues pruned to eliminate duplicates Z: 35 35.981 2.051 0.972 0.670 0.912 0.765 CB 1.430 35 residues pruned to eliminate duplicates Z: 52 45.519 2.104 0.927 0.660 0.961 0.706 CB 1.411 52 residues pruned to eliminate duplicates Z: 53 49.818 2.095 0.959 0.680 0.981 0.577 CB 1.455 53 residues pruned to eliminate duplicates Z: 44 51.255 2.149 0.986 0.743 0.977 0.721 CB 1.508 44 residues pruned to eliminate duplicates Z: 43 54.777 2.154 1.023 0.722 0.976 0.643 CB 1.626 52 residues pruned to eliminate duplicates Z: 19 36.751 2.055 1.107 0.809 1.000 0.556 CB 1.528 19 residues pruned to eliminate duplicates Z: 57 47.057 2.065 0.950 0.609 0.964 0.518 CB 1.460 57 residues pruned to eliminate duplicates Z: 55 46.387 2.056 0.895 0.702 0.944 0.704 CB 1.427 55 residues pruned to eliminate duplicates Z: 11 2.051 1.617 0.353 0.050 0.600 0.200 CB 0.898 Z: 7 6.691 1.686 0.897 0.397 0.833 0.833 CB 1.143 7 residues pruned to eliminate duplicates Z: 33 24.289 2.088 0.735 0.531 0.906 0.656 CB 1.268 33 residues pruned to eliminate duplicates Z: 18 19.034 2.042 0.730 0.639 0.882 0.824 CB 1.300 18 residues pruned to eliminate duplicates Z: 18 21.935 2.094 0.798 0.709 0.941 0.765 CB 1.242 18 residues pruned to eliminate duplicates Z: 61 29.746 2.030 0.848 0.417 0.867 0.583 CB 1.288 61 residues pruned to eliminate duplicates Z: 19 22.668 2.031 0.817 0.705 0.944 0.889 CB 1.272 19 residues pruned to eliminate duplicates Z: 19 20.288 2.111 0.885 0.579 0.944 0.611 CB 1.179 19 residues pruned to eliminate duplicates Z: 21 20.373 1.967 0.922 0.581 0.900 0.600 CB 1.239 21 residues pruned to eliminate duplicates Z: 31 21.965 2.024 0.731 0.451 0.900 0.667 CB 1.338 31 residues pruned to eliminate duplicates Z: 22 14.659 1.988 0.706 0.533 0.857 0.714 CB 1.065 22 residues pruned to eliminate duplicates Z: 18 21.617 2.080 0.951 0.671 0.941 0.647 CB 1.172 18 residues pruned to eliminate duplicates Z: 36 24.645 2.049 0.874 0.478 0.886 0.543 CB 1.252 36 residues pruned to eliminate duplicates Z: 52 24.499 2.000 0.817 0.395 0.843 0.510 CB 1.251 52 residues pruned to eliminate duplicates Z: 43 26.400 2.053 0.761 0.477 0.905 0.714 CB 1.274 43 residues pruned to eliminate duplicates Z: 27 16.890 2.040 0.717 0.340 0.885 0.577 CB 1.272 27 residues pruned to eliminate duplicates Z: 28 20.072 2.071 0.789 0.376 0.852 0.519 CB 1.397 28 residues pruned to eliminate duplicates Z: 66 35.683 2.081 0.699 0.486 0.923 0.708 CB 1.376 66 residues pruned to eliminate duplicates Z: 45 26.511 2.079 0.786 0.423 0.886 0.636 CB 1.315 45 residues pruned to eliminate duplicates Z: 81 42.547 2.072 0.802 0.491 0.900 0.637 CB 1.428 81 residues pruned to eliminate duplicates Z: 35 25.556 2.066 0.813 0.477 0.853 0.647 CB 1.404 35 residues pruned to eliminate duplicates Z: 13 18.147 2.114 0.742 0.461 1.000 0.667 CB 1.480 13 residues pruned to eliminate duplicates Z: 19 11.777 2.019 0.535 0.371 0.889 0.500 CB 1.157 19 residues pruned to eliminate duplicates Z: 31 21.680 2.044 0.820 0.504 0.900 0.467 CB 1.178 31 residues pruned to eliminate duplicates Z: 16 10.838 1.922 0.474 0.314 0.867 0.267 CB 1.400 16 residues pruned to eliminate duplicates Z: 26 15.448 2.032 0.627 0.302 0.920 0.560 CB 1.267 26 residues pruned to eliminate duplicates Z: 7 6.486 1.649 0.805 0.356 0.833 0.500 CA 1.248 7 residues pruned to eliminate duplicates Z: 35 21.878 2.075 0.703 0.469 0.853 0.618 CB 1.285 35 residues pruned to eliminate duplicates Z: 48 26.897 2.002 0.663 0.513 0.872 0.596 CB 1.333 48 residues pruned to eliminate duplicates Z: 26 16.635 2.005 0.652 0.313 0.920 0.520 CB 1.344 26 residues pruned to eliminate duplicates Z: 28 17.361 1.994 0.703 0.357 0.889 0.593 CB 1.291 28 residues pruned to eliminate duplicates Z: 43 24.778 2.029 0.732 0.439 0.952 0.762 CB 1.216 43 residues pruned to eliminate duplicates Z: 89 47.670 2.110 0.699 0.544 0.932 0.670 CB 1.457 89 residues pruned to eliminate duplicates Z: 14 10.309 2.007 0.552 0.323 0.923 0.538 CB 1.208 14 residues pruned to eliminate duplicates Z: 47 24.045 1.992 0.696 0.420 0.913 0.587 CB 1.250 47 residues pruned to eliminate duplicates Z: 84 43.916 2.125 0.718 0.525 0.952 0.663 CB 1.354 84 residues pruned to eliminate duplicates Z: 107 48.420 2.109 0.706 0.511 0.906 0.642 CB 1.427 107 residues pruned to eliminate duplicates Z: 87 46.983 2.119 0.762 0.539 0.942 0.663 CB 1.386 87 residues pruned to eliminate duplicates Z: 112 45.146 2.061 0.689 0.491 0.883 0.586 CB 1.407 119 residues pruned to eliminate duplicates Z: 53 33.862 2.093 0.610 0.585 0.942 0.654 CB 1.364 53 residues pruned to eliminate duplicates Z: 50 30.723 2.083 0.750 0.451 0.918 0.612 CB 1.379 50 residues pruned to eliminate duplicates Z: 29 18.244 1.969 0.768 0.392 0.893 0.679 CB 1.243 29 residues pruned to eliminate duplicates Z: 59 33.163 2.106 0.746 0.447 0.914 0.672 CB 1.369 59 residues pruned to eliminate duplicates Z: 54 37.291 2.093 0.731 0.577 0.943 0.679 CB 1.392 54 residues pruned to eliminate duplicates Z: 119 52.164 2.087 0.768 0.528 0.907 0.568 CB 1.396 119 residues pruned to eliminate duplicates Z: 88 44.860 2.107 0.686 0.532 0.920 0.713 CB 1.426 88 residues pruned to eliminate duplicates Z: 20 21.827 2.109 0.791 0.503 0.895 0.579 CB 1.478 20 residues pruned to eliminate duplicates Z: 116 56.512 2.131 0.753 0.545 0.913 0.687 CB 1.478 116 residues pruned to eliminate duplicates Z: 40 24.938 2.071 0.733 0.458 0.872 0.641 CB 1.333 40 residues pruned to eliminate duplicates Z: 72 32.970 2.099 0.628 0.478 0.873 0.662 CB 1.341 72 residues pruned to eliminate duplicates Z: 27 18.029 1.927 0.790 0.427 0.731 0.462 CB 1.513 27 residues pruned to eliminate duplicates Z: 23 17.699 2.044 0.757 0.439 0.773 0.636 CB 1.449 23 residues pruned to eliminate duplicates Z: 45 34.993 2.171 0.654 0.641 0.864 0.591 CB 1.492 45 residues pruned to eliminate duplicates Z: 79 45.876 2.115 0.665 0.576 0.885 0.667 CB 1.549 79 residues pruned to eliminate duplicates Z: 47 39.650 2.156 0.626 0.635 0.978 0.674 CB 1.502 47 residues pruned to eliminate duplicates Z: 49 36.791 2.131 0.677 0.656 0.875 0.771 CB 1.469 49 residues pruned to eliminate duplicates Z: 85 46.440 2.132 0.734 0.540 0.917 0.643 CB 1.438 85 residues pruned to eliminate duplicates Z: 72 42.455 2.109 0.735 0.581 0.887 0.662 CB 1.436 72 residues pruned to eliminate duplicates Z: 123 50.800 2.072 0.716 0.513 0.902 0.639 CB 1.416 123 residues pruned to eliminate duplicates Z: 66 37.342 2.119 0.679 0.507 0.908 0.692 CB 1.424 66 residues pruned to eliminate duplicates Z: 123 55.479 2.118 0.703 0.551 0.918 0.689 CB 1.443 123 residues pruned to eliminate duplicates Z: 123 51.588 2.115 0.662 0.521 0.902 0.631 CB 1.443 123 residues pruned to eliminate duplicates Z: 123 51.841 2.093 0.751 0.531 0.893 0.590 CB 1.391 123 residues pruned to eliminate duplicates Z: 83 47.226 2.119 0.769 0.581 0.866 0.659 CB 1.487 83 residues pruned to eliminate duplicates Z: 49 39.892 2.126 0.728 0.626 0.938 0.750 CB 1.485 49 residues pruned to eliminate duplicates Z: 98 51.903 2.091 0.826 0.574 0.918 0.619 CB 1.400 98 residues pruned to eliminate duplicates Z: 41 42.958 2.187 0.784 0.678 0.950 0.850 CB 1.555 41 residues pruned to eliminate duplicates Z: 58 51.467 2.158 0.795 0.695 0.965 0.684 CB 1.527 58 residues pruned to eliminate duplicates Z: 102 48.707 2.091 0.760 0.516 0.921 0.614 CB 1.408 102 residues pruned to eliminate duplicates Z: 70 44.232 2.129 0.775 0.527 0.957 0.652 CB 1.434 70 residues pruned to eliminate duplicates Z: 68 52.752 2.147 0.873 0.622 0.940 0.657 CB 1.519 68 residues pruned to eliminate duplicates Z: 85 47.562 2.117 0.832 0.532 0.940 0.726 CB 1.378 85 residues pruned to eliminate duplicates Z: 50 38.909 2.143 0.804 0.616 0.878 0.673 CB 1.467 50 residues pruned to eliminate duplicates Z: 16 38.752 2.212 1.126 0.784 1.000 0.933 CB 1.658 16 residues pruned to eliminate duplicates Z: 44 40.501 2.138 0.856 0.612 0.884 0.721 CB 1.584 44 residues pruned to eliminate duplicates Z: 76 40.884 2.115 0.763 0.552 0.867 0.720 CB 1.389 76 residues pruned to eliminate duplicates Z: 49 38.644 2.118 0.716 0.633 0.938 0.729 CB 1.445 49 residues pruned to eliminate duplicates Z: 48 37.614 2.114 0.940 0.581 0.894 0.596 CB 1.385 48 residues pruned to eliminate duplicates Z: 22 30.509 2.145 0.808 0.720 1.000 0.810 CB 1.407 22 residues pruned to eliminate duplicates Z: 70 41.116 2.132 0.712 0.540 0.928 0.696 CB 1.407 70 residues pruned to eliminate duplicates Z: 48 36.338 2.125 0.805 0.596 0.936 0.553 CB 1.347 48 residues pruned to eliminate duplicates Z: 47 39.060 2.149 0.809 0.614 0.935 0.652 CB 1.423 47 residues pruned to eliminate duplicates Z: 47 39.622 2.138 0.857 0.613 0.913 0.652 CB 1.448 47 residues pruned to eliminate duplicates Z: 105 54.524 2.097 0.869 0.547 0.904 0.615 CB 1.441 105 residues pruned to eliminate duplicates Z: 102 46.318 2.039 0.835 0.486 0.911 0.604 CB 1.372 102 residues pruned to eliminate duplicates Z: 94 45.287 2.088 0.779 0.531 0.914 0.656 CB 1.341 94 residues pruned to eliminate duplicates Z: 19 17.931 2.024 0.538 0.579 0.889 0.556 CB 1.416 19 residues pruned to eliminate duplicates Z: 31 26.922 2.067 0.637 0.543 0.900 0.633 CB 1.548 31 residues pruned to eliminate duplicates Z: 32 31.642 2.112 0.823 0.543 0.903 0.581 CB 1.567 32 residues pruned to eliminate duplicates Z: 39 25.036 1.998 0.611 0.517 0.868 0.632 CB 1.428 39 residues pruned to eliminate duplicates Z: 17 23.888 2.089 0.743 0.632 0.938 0.750 CB 1.546 17 residues pruned to eliminate duplicates Z: 34 21.254 2.000 0.660 0.422 0.818 0.485 CB 1.477 34 residues pruned to eliminate duplicates Z: 32 26.494 2.044 0.770 0.507 0.839 0.710 CB 1.557 32 residues pruned to eliminate duplicates Z: 34 30.042 2.014 0.796 0.551 0.879 0.606 CB 1.565 34 residues pruned to eliminate duplicates Z: 18 22.830 2.023 0.595 0.653 0.941 0.588 CB 1.582 18 residues pruned to eliminate duplicates Z: 87 46.128 2.107 0.812 0.520 0.942 0.593 CB 1.356 87 residues pruned to eliminate duplicates Z: 36 28.519 2.108 0.729 0.529 0.829 0.571 CB 1.551 36 residues pruned to eliminate duplicates Z: 32 35.699 2.173 0.901 0.546 0.903 0.677 CB 1.643 32 residues pruned to eliminate duplicates Z: 32 33.086 2.119 0.774 0.534 0.935 0.581 CB 1.633 32 residues pruned to eliminate duplicates Z: 29 21.204 1.996 0.687 0.405 0.893 0.500 CB 1.473 29 residues pruned to eliminate duplicates Z: 37 38.025 2.095 0.891 0.553 0.972 0.694 CB 1.563 37 residues pruned to eliminate duplicates Z: 55 29.054 2.033 0.811 0.471 0.815 0.500 CB 1.357 55 residues pruned to eliminate duplicates Z: 32 33.269 2.127 0.767 0.564 0.903 0.645 CB 1.654 32 residues pruned to eliminate duplicates Z: 20 16.363 2.049 0.501 0.422 0.842 0.421 CB 1.572 20 residues pruned to eliminate duplicates Z: 31 27.669 2.049 0.802 0.474 0.867 0.567 CB 1.621 31 residues pruned to eliminate duplicates Z: 37 30.585 2.035 0.804 0.516 0.889 0.583 CB 1.536 37 residues pruned to eliminate duplicates Z: 123 52.823 2.107 0.806 0.507 0.893 0.639 CB 1.398 123 residues pruned to eliminate duplicates Z: 19 19.676 2.115 0.822 0.469 0.833 0.444 CB 1.491 19 residues pruned to eliminate duplicates Z: 37 31.649 2.007 0.959 0.518 0.861 0.528 CB 1.530 37 residues pruned to eliminate duplicates Z: 39 30.613 2.039 0.696 0.500 0.895 0.579 CB 1.606 39 residues pruned to eliminate duplicates Z: 38 33.057 2.049 0.821 0.535 0.892 0.541 CB 1.577 38 residues pruned to eliminate duplicates Z: 27 22.552 2.049 0.781 0.427 0.885 0.423 CB 1.478 27 residues pruned to eliminate duplicates Z: 35 29.253 2.102 0.833 0.478 0.824 0.500 CB 1.617 35 residues pruned to eliminate duplicates Z: 56 41.691 2.101 1.004 0.609 0.891 0.655 CB 1.351 56 residues pruned to eliminate duplicates Z: 38 33.251 2.033 0.825 0.531 0.892 0.514 CB 1.602 38 residues pruned to eliminate duplicates Z: 37 35.051 2.054 1.031 0.569 0.861 0.583 CB 1.521 37 residues pruned to eliminate duplicates Z: 16 7.384 1.819 0.443 0.265 0.733 0.400 CB 1.296 16 residues pruned to eliminate duplicates Z: 79 50.523 2.103 0.829 0.591 0.923 0.615 CB 1.477 79 residues pruned to eliminate duplicates Z: 39 30.715 2.063 0.701 0.513 0.868 0.553 CB 1.613 39 residues pruned to eliminate duplicates Z: 60 42.285 2.103 0.922 0.543 0.881 0.559 CB 1.481 60 residues pruned to eliminate duplicates Z: 42 28.243 2.016 0.805 0.483 0.829 0.659 CB 1.487 42 residues pruned to eliminate duplicates Z: 23 13.379 1.887 0.754 0.421 0.864 0.545 CB 1.084 23 residues pruned to eliminate duplicates Z: 34 16.835 1.925 0.625 0.383 0.879 0.545 CB 1.208 34 residues pruned to eliminate duplicates Z: 40 22.100 1.925 0.714 0.437 0.897 0.615 CB 1.275 38 residues pruned to eliminate duplicates Z: 6 4.225 1.613 0.141 0.329 1.000 0.400 N 1.239 6 residues pruned to eliminate duplicates Z: 9 10.220 1.902 0.694 0.571 1.000 0.750 CB 1.047 9 residues pruned to eliminate duplicates Z: 50 31.131 2.038 0.793 0.505 0.918 0.633 CB 1.319 50 residues pruned to eliminate duplicates Z: 11 8.648 1.835 0.717 0.463 0.900 0.700 CB 1.002 11 residues pruned to eliminate duplicates Z: 11 8.480 1.837 0.745 0.459 0.900 0.600 CB 0.970 11 residues pruned to eliminate duplicates Z: 48 28.181 2.080 0.702 0.485 0.894 0.617 CB 1.319 48 residues pruned to eliminate duplicates Z: 20 8.725 1.864 0.435 0.357 0.737 0.368 CB 1.185 20 residues pruned to eliminate duplicates Z: 22 15.213 1.933 0.702 0.390 0.905 0.381 CB 1.254 22 residues pruned to eliminate duplicates Z: 28 10.432 1.743 0.673 0.294 0.852 0.407 CB 1.018 28 residues pruned to eliminate duplicates Z: 23 14.520 1.935 0.673 0.381 0.955 0.500 CB 1.138 23 residues pruned to eliminate duplicates Z: 23 11.636 1.958 0.546 0.361 0.864 0.636 CB 1.102 23 residues pruned to eliminate duplicates Z: 69 30.003 1.934 0.631 0.466 0.868 0.500 CB 1.377 69 residues pruned to eliminate duplicates Z: 21 14.333 1.939 0.681 0.405 0.850 0.600 CB 1.278 21 residues pruned to eliminate duplicates Z: 23 15.933 1.891 0.743 0.393 0.909 0.636 CB 1.269 23 residues pruned to eliminate duplicates Z: 55 32.178 2.061 0.708 0.571 0.889 0.630 CB 1.306 55 residues pruned to eliminate duplicates Z: 35 26.352 2.084 0.613 0.590 0.882 0.706 CB 1.397 35 residues pruned to eliminate duplicates Z: 54 32.298 2.088 0.661 0.570 0.887 0.660 CB 1.348 54 residues pruned to eliminate duplicates Z: 41 28.987 2.068 0.653 0.607 0.900 0.650 CB 1.346 41 residues pruned to eliminate duplicates Z: 55 32.455 2.060 0.647 0.579 0.926 0.667 CB 1.302 55 residues pruned to eliminate duplicates Z: 55 31.863 2.062 0.665 0.568 0.889 0.667 CB 1.331 55 residues pruned to eliminate duplicates Z: 37 26.874 2.092 0.630 0.623 0.889 0.694 CB 1.316 37 residues pruned to eliminate duplicates Z: 55 34.657 2.051 0.745 0.556 0.926 0.722 CB 1.347 55 residues pruned to eliminate duplicates Z: 52 35.043 2.088 0.723 0.582 0.922 0.647 CB 1.368 52 residues pruned to eliminate duplicates Z: 45 29.147 1.965 0.953 0.525 0.886 0.636 CB 1.260 45 residues pruned to eliminate duplicates Z: 54 38.335 2.069 0.858 0.567 0.943 0.585 CB 1.361 54 residues pruned to eliminate duplicates Z: 41 29.499 2.032 0.798 0.572 0.875 0.650 CB 1.361 41 residues pruned to eliminate duplicates Z: 52 34.765 2.085 0.790 0.546 0.902 0.549 CB 1.382 52 residues pruned to eliminate duplicates Z: 52 37.256 2.097 0.822 0.570 0.922 0.627 CB 1.385 52 residues pruned to eliminate duplicates Z: 94 46.678 2.058 0.784 0.548 0.914 0.559 CB 1.377 94 residues pruned to eliminate duplicates Z: 55 35.971 2.061 0.798 0.554 0.944 0.611 CB 1.327 55 residues pruned to eliminate duplicates Z: 38 28.824 2.088 0.718 0.589 0.919 0.568 CB 1.319 38 residues pruned to eliminate duplicates Z: 43 28.692 2.011 0.810 0.555 0.929 0.619 CB 1.242 43 residues pruned to eliminate duplicates Z: 58 34.141 2.043 0.732 0.581 0.947 0.596 CB 1.248 58 residues pruned to eliminate duplicates Z: 93 46.898 2.052 0.753 0.557 0.935 0.587 CB 1.375 93 residues pruned to eliminate duplicates Z: 55 34.440 2.068 0.836 0.559 0.889 0.593 CB 1.311 55 residues pruned to eliminate duplicates Z: 55 31.974 2.053 0.793 0.572 0.889 0.537 CB 1.241 55 residues pruned to eliminate duplicates Z: 51 34.231 2.077 0.747 0.590 0.900 0.700 CB 1.360 51 residues pruned to eliminate duplicates Z: 37 34.200 2.143 0.758 0.633 0.972 0.611 CB 1.373 37 residues pruned to eliminate duplicates Z: 59 34.076 2.041 0.814 0.533 0.931 0.655 CB 1.256 61 residues pruned to eliminate duplicates Z: 9 8.938 1.958 0.732 0.356 0.750 0.500 CB 1.452 9 residues pruned to eliminate duplicates Z: 56 31.947 2.037 0.751 0.537 0.891 0.618 CB 1.307 56 residues pruned to eliminate duplicates Z: 53 27.829 2.038 0.771 0.483 0.827 0.538 CB 1.315 53 residues pruned to eliminate duplicates Z: 55 36.417 2.062 0.768 0.591 0.926 0.667 CB 1.345 53 residues pruned to eliminate duplicates Z: 6 4.973 1.539 0.620 0.364 1.000 0.600 CA 1.033 6 residues pruned to eliminate duplicates Z: 52 37.237 2.102 0.777 0.587 0.961 0.667 CB 1.336 52 residues pruned to eliminate duplicates Z: 55 35.229 2.040 0.787 0.564 0.944 0.611 CB 1.309 55 residues pruned to eliminate duplicates Z: 18 15.549 1.997 0.810 0.520 0.824 0.588 CB 1.242 18 residues pruned to eliminate duplicates Z: 54 30.880 2.053 0.720 0.536 0.849 0.585 CB 1.365 54 residues pruned to eliminate duplicates Z: 9 17.305 1.987 0.771 0.746 1.000 0.625 CB 1.395 9 residues pruned to eliminate duplicates 473 residues left after pruning, divided into chains as follows: A: 12 B: 6 C: 212 D: 52 E: 191 CC for partial structure against native data = 43.65 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.678, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.789, Connect. = 0.780 for dens.mod. cycle 2 = 0.300, Contrast = 0.930, Connect. = 0.799 for dens.mod. cycle 3 = 0.300, Contrast = 0.954, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.970, Connect. = 0.801 for dens.mod. cycle 5 = 0.300, Contrast = 0.974, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.978, Connect. = 0.802 for dens.mod. cycle 7 = 0.300, Contrast = 0.976, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.975, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.971, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2361 peaks > 0.5 sigma used to seed fragment search Space for about 1068 unique residues taking solvent into account 505 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 9 11.230 1.902 0.508 0.651 0.875 0.500 N 1.374 B: 12 25.925 2.357 0.718 0.791 1.000 0.727 CB 1.494 C: 15 30.191 2.147 0.824 0.881 1.000 0.929 CB 1.492 D: 21 15.230 1.928 0.669 0.451 0.750 0.500 CB 1.483 E: 10 23.704 2.114 0.939 0.846 0.889 0.556 CB 1.612 10 residues pruned to eliminate duplicates F: 20 14.573 2.010 0.736 0.381 0.737 0.579 CB 1.476 19 residues pruned to eliminate duplicates G: 10 26.677 2.387 0.834 0.800 0.889 0.556 CB 1.759 10 residues pruned to eliminate duplicates H: 18 25.222 2.156 0.590 0.753 0.941 0.824 CB 1.513 12 residues pruned to eliminate duplicates I: 13 19.158 1.908 0.531 0.872 0.917 0.750 CB 1.505 J: 12 33.639 2.255 1.113 0.899 0.909 0.909 CA 1.674 K: 12 26.014 2.078 1.114 0.905 1.000 0.818 CB 1.271 12 residues pruned to eliminate duplicates L: 17 29.052 2.060 0.701 0.925 1.000 0.875 CB 1.455 M: 19 29.933 2.016 0.851 0.902 1.000 0.778 CB 1.348 N: 54 31.421 2.090 0.733 0.481 0.925 0.660 CB 1.313 13 residues pruned to eliminate duplicates O: 11 22.816 2.048 0.697 0.767 0.900 0.700 O 1.820 11 residues pruned to eliminate duplicates P: 13 27.269 2.121 0.887 0.867 0.917 0.667 CB 1.569 13 residues pruned to eliminate duplicates Q: 10 13.399 1.923 0.475 0.747 1.000 0.556 CB 1.262 10 residues pruned to eliminate duplicates R: 13 25.595 2.105 0.709 0.872 1.000 0.833 CA 1.497 13 residues pruned to eliminate duplicates S: 16 19.378 1.905 0.506 0.878 0.867 0.667 CB 1.461 T: 8 6.128 1.631 0.413 0.740 0.857 0.571 CB 0.945 U: 18 33.050 2.056 0.762 0.926 1.000 0.824 CB 1.551 17 residues pruned to eliminate duplicates V: 11 19.301 1.833 0.505 0.854 1.000 0.800 O 1.635 11 residues pruned to eliminate duplicates W: 19 18.189 2.045 0.567 0.675 0.778 0.611 CB 1.463 19 residues pruned to eliminate duplicates X: 11 37.006 2.205 1.125 0.909 1.000 0.700 CB 1.772 Y: 12 17.675 1.763 0.534 0.842 1.000 0.727 O 1.469 Z: 6 10.572 1.945 0.295 0.830 1.000 1.000 CB 1.411 Z: 21 15.701 1.946 0.518 0.564 0.850 0.700 CB 1.315 Z: 14 11.942 1.922 0.565 0.459 0.846 0.385 CB 1.357 6 residues pruned to eliminate duplicates Z: 20 23.412 1.973 0.666 0.872 0.895 0.579 CB 1.331 20 residues pruned to eliminate duplicates Z: 65 30.818 2.052 0.600 0.513 0.922 0.750 CB 1.257 29 residues pruned to eliminate duplicates Z: 15 18.297 1.874 0.334 0.898 1.000 0.857 CB 1.399 15 residues pruned to eliminate duplicates Z: 36 30.781 2.088 0.646 0.633 0.943 0.657 CB 1.417 Z: 14 21.072 1.797 0.822 0.876 1.000 0.923 CB 1.297 14 residues pruned to eliminate duplicates Z: 36 32.027 2.060 0.769 0.556 0.914 0.571 CB 1.539 32 residues pruned to eliminate duplicates Z: 9 9.650 1.779 0.617 0.622 0.875 0.500 N 1.208 9 residues pruned to eliminate duplicates Z: 15 20.576 1.919 0.552 0.907 1.000 0.857 CB 1.313 15 residues pruned to eliminate duplicates Z: 13 30.802 1.995 1.056 0.893 1.000 0.750 N 1.556 13 residues pruned to eliminate duplicates Z: 13 24.939 2.135 0.560 0.873 1.000 0.750 CA 1.575 13 residues pruned to eliminate duplicates Z: 13 12.247 1.636 0.274 0.781 1.000 0.667 O 1.323 13 residues pruned to eliminate duplicates Z: 17 29.307 1.937 0.973 0.800 0.938 0.750 CB 1.573 16 residues pruned to eliminate duplicates Z: 14 17.683 1.941 0.976 0.593 0.923 0.615 CB 1.267 Z: 21 24.306 2.015 0.659 0.771 0.950 0.650 CB 1.347 21 residues pruned to eliminate duplicates Z: 13 16.677 1.819 0.566 0.781 1.000 0.750 CB 1.319 13 residues pruned to eliminate duplicates Z: 16 28.791 2.018 0.916 0.846 0.933 0.800 CB 1.531 16 residues pruned to eliminate duplicates Z: 16 20.215 1.846 0.589 0.873 1.000 1.000 CB 1.295 16 residues pruned to eliminate duplicates Z: 73 42.571 2.108 0.690 0.534 0.903 0.583 CB 1.509 75 residues pruned to eliminate duplicates Z: 9 7.961 1.777 0.372 0.440 1.000 0.500 CB 1.228 Z: 14 4.800 1.750 0.806 0.286 0.692 0.462 CB 0.774 Z: 17 29.367 2.069 0.739 0.937 1.000 1.000 CB 1.419 17 residues pruned to eliminate duplicates Z: 19 21.444 1.818 0.611 0.847 1.000 0.833 CB 1.281 19 residues pruned to eliminate duplicates Z: 20 24.395 1.915 0.470 0.922 1.000 0.895 CB 1.398 20 residues pruned to eliminate duplicates Z: 20 26.749 1.966 0.739 0.828 1.000 0.842 CB 1.352 18 residues pruned to eliminate duplicates Z: 19 34.125 2.030 0.749 0.920 1.000 0.944 CB 1.596 20 residues pruned to eliminate duplicates Z: 14 20.047 1.906 0.690 0.840 0.923 0.769 CB 1.395 14 residues pruned to eliminate duplicates Z: 16 22.898 2.015 0.537 0.862 0.933 0.933 CB 1.502 16 residues pruned to eliminate duplicates Z: 12 31.066 2.191 0.862 0.890 1.000 1.000 CB 1.652 12 residues pruned to eliminate duplicates Z: 13 19.809 1.970 0.646 0.907 0.917 0.750 CB 1.367 7 residues pruned to eliminate duplicates Z: 16 21.822 1.860 0.659 0.875 1.000 0.867 CB 1.329 16 residues pruned to eliminate duplicates Z: 51 32.063 2.053 0.707 0.581 0.900 0.640 CB 1.329 16 residues pruned to eliminate duplicates Z: 16 19.744 1.874 0.451 0.927 1.000 0.800 CB 1.314 16 residues pruned to eliminate duplicates Z: 13 20.604 1.915 0.957 0.848 0.833 0.583 CB 1.413 Z: 7 12.982 1.758 0.752 0.810 1.000 0.833 CB 1.314 6 residues pruned to eliminate duplicates Z: 14 24.305 1.841 0.904 0.826 1.000 0.769 CB 1.450 14 residues pruned to eliminate duplicates Z: 35 33.591 2.106 0.829 0.580 0.853 0.588 CB 1.623 31 residues pruned to eliminate duplicates Z: 24 15.661 1.890 0.773 0.498 0.826 0.652 CB 1.182 25 residues pruned to eliminate duplicates Z: 11 12.570 1.881 0.603 0.768 0.900 0.800 CB 1.155 9 residues pruned to eliminate duplicates Z: 22 15.246 2.016 0.449 0.575 0.905 0.762 CB 1.170 22 residues pruned to eliminate duplicates Z: 10 8.993 1.913 0.520 0.496 0.889 0.889 CB 1.165 10 residues pruned to eliminate duplicates Z: 109 42.573 2.008 0.686 0.544 0.898 0.639 CB 1.290 84 residues pruned to eliminate duplicates Z: 18 34.840 2.016 1.061 0.913 1.000 0.882 CB 1.439 18 residues pruned to eliminate duplicates Z: 22 35.038 1.951 0.997 0.915 0.952 0.762 CB 1.457 19 residues pruned to eliminate duplicates Z: 11 15.571 1.957 0.588 0.791 1.000 0.800 CB 1.227 11 residues pruned to eliminate duplicates Z: 6 11.102 1.718 1.189 0.808 1.000 1.000 CB 1.010 10 residues pruned to eliminate duplicates Z: 23 20.729 2.120 0.568 0.499 0.955 0.545 CB 1.394 27 residues pruned to eliminate duplicates Z: 15 25.119 1.942 0.802 0.901 1.000 0.929 CB 1.369 15 residues pruned to eliminate duplicates Z: 11 10.305 1.683 0.761 0.570 0.900 0.600 CB 1.142 Z: 17 35.157 2.043 1.236 0.931 1.000 0.625 CB 1.344 17 residues pruned to eliminate duplicates Z: 11 23.591 1.903 0.809 0.830 1.000 0.700 O 1.630 11 residues pruned to eliminate duplicates Z: 18 26.940 2.044 0.509 0.923 1.000 0.941 CB 1.488 18 residues pruned to eliminate duplicates Z: 47 22.635 1.979 0.581 0.431 0.870 0.609 CB 1.316 47 residues pruned to eliminate duplicates Z: 7 7.761 1.450 0.665 0.779 1.000 0.500 CB 1.026 7 residues pruned to eliminate duplicates Z: 12 8.456 1.813 0.680 0.401 0.727 0.545 CB 1.278 10 residues pruned to eliminate duplicates Z: 11 26.544 2.135 1.257 0.748 0.800 0.700 CB 1.744 11 residues pruned to eliminate duplicates Z: 37 27.844 2.035 0.791 0.459 0.972 0.583 CB 1.366 37 residues pruned to eliminate duplicates Z: 6 6.243 1.675 0.584 0.550 0.800 0.600 O 1.252 5 residues pruned to eliminate duplicates Z: 15 20.924 1.921 0.766 0.880 0.929 0.714 CB 1.285 15 residues pruned to eliminate duplicates Z: 17 16.618 1.742 0.587 0.685 0.875 0.688 CA 1.449 17 residues pruned to eliminate duplicates Z: 19 24.353 2.082 0.855 0.662 0.889 0.778 CB 1.439 19 residues pruned to eliminate duplicates Z: 13 30.365 2.062 1.121 0.871 1.000 0.750 CB 1.461 13 residues pruned to eliminate duplicates Z: 53 31.335 2.044 0.703 0.521 0.923 0.635 CB 1.326 36 residues pruned to eliminate duplicates Z: 8 7.527 1.715 0.831 0.617 0.857 0.714 CB 0.947 Z: 11 17.906 2.001 0.713 0.794 0.800 0.500 CB 1.596 11 residues pruned to eliminate duplicates Z: 19 17.812 1.977 0.545 0.604 0.944 0.667 CB 1.319 19 residues pruned to eliminate duplicates Z: 11 28.300 2.309 0.817 0.899 1.000 0.800 CB 1.524 11 residues pruned to eliminate duplicates Z: 7 3.845 1.859 0.500 0.341 0.667 0.333 CB 1.004 Z: 27 18.399 1.910 0.511 0.504 0.885 0.538 CB 1.408 14 residues pruned to eliminate duplicates Z: 16 28.605 1.984 0.804 0.931 1.000 0.867 CB 1.442 16 residues pruned to eliminate duplicates Z: 12 18.836 1.959 0.558 0.899 0.909 0.818 CA 1.462 12 residues pruned to eliminate duplicates Z: 18 31.494 1.996 1.149 0.937 1.000 0.647 CB 1.239 18 residues pruned to eliminate duplicates Z: 14 34.042 2.206 0.887 0.903 1.000 0.846 CB 1.617 14 residues pruned to eliminate duplicates Z: 15 18.618 2.053 0.496 0.803 0.929 0.643 CB 1.339 15 residues pruned to eliminate duplicates Z: 6 4.461 1.747 0.739 0.296 0.800 0.600 CB 1.031 Z: 13 16.787 1.876 0.577 0.747 1.000 0.583 CB 1.313 13 residues pruned to eliminate duplicates Z: 9 12.702 1.757 0.875 0.831 0.875 0.625 N 1.170 9 residues pruned to eliminate duplicates Z: 6 16.719 1.923 1.003 0.847 1.000 1.000 CB 1.442 Z: 22 13.527 2.007 0.608 0.541 0.810 0.667 CB 1.085 22 residues pruned to eliminate duplicates Z: 39 25.169 1.975 0.796 0.581 0.895 0.632 CB 1.191 37 residues pruned to eliminate duplicates Z: 17 27.173 2.054 0.636 0.929 1.000 0.938 CB 1.414 17 residues pruned to eliminate duplicates Z: 20 19.515 1.971 0.598 0.718 0.947 0.789 CB 1.232 20 residues pruned to eliminate duplicates Z: 14 23.004 2.133 0.536 0.840 1.000 0.923 CB 1.454 14 residues pruned to eliminate duplicates Z: 52 51.937 2.145 0.925 0.676 1.000 0.686 CB 1.497 47 residues pruned to eliminate duplicates Z: 9 13.252 1.841 0.667 0.684 1.000 0.625 CB 1.290 9 residues pruned to eliminate duplicates Z: 12 20.866 1.950 0.758 0.917 0.909 0.818 CB 1.425 12 residues pruned to eliminate duplicates Z: 24 13.076 1.916 0.477 0.471 0.826 0.435 CB 1.202 24 residues pruned to eliminate duplicates Z: 17 26.763 2.282 0.627 0.765 0.938 0.562 CB 1.519 17 residues pruned to eliminate duplicates Z: 52 33.306 2.044 0.787 0.577 0.902 0.627 CB 1.314 52 residues pruned to eliminate duplicates Z: 22 26.446 2.003 0.795 0.830 0.905 0.857 CB 1.334 22 residues pruned to eliminate duplicates Z: 13 20.044 1.876 0.622 0.907 0.917 0.750 CA 1.474 13 residues pruned to eliminate duplicates Z: 12 23.996 1.953 1.068 0.736 0.909 0.636 N 1.594 12 residues pruned to eliminate duplicates Z: 24 12.656 1.763 0.635 0.484 0.826 0.652 CB 1.126 24 residues pruned to eliminate duplicates Z: 55 33.656 2.034 0.702 0.527 0.944 0.611 CB 1.364 55 residues pruned to eliminate duplicates Z: 15 21.803 2.109 0.891 0.560 0.857 0.643 CB 1.608 20 residues pruned to eliminate duplicates Z: 14 17.682 1.819 0.806 0.909 1.000 0.923 CB 1.060 13 residues pruned to eliminate duplicates Z: 17 16.000 1.883 0.545 0.607 0.875 0.438 CB 1.419 17 residues pruned to eliminate duplicates Z: 14 29.263 2.110 0.869 0.900 1.000 0.923 CB 1.469 14 residues pruned to eliminate duplicates Z: 16 25.342 2.043 0.553 0.871 1.000 0.867 CB 1.505 16 residues pruned to eliminate duplicates Z: 8 7.393 1.975 0.715 0.666 0.571 0.429 CB 1.238 8 residues pruned to eliminate duplicates Z: 22 17.202 1.966 0.367 0.833 0.905 0.810 CB 1.158 22 residues pruned to eliminate duplicates Z: 14 10.089 1.876 0.233 0.954 1.000 1.000 CB 0.832 14 residues pruned to eliminate duplicates Z: 12 27.598 1.995 0.978 0.879 1.000 0.818 N 1.529 13 residues pruned to eliminate duplicates Z: 21 24.500 2.003 0.822 0.822 0.950 0.600 CB 1.196 21 residues pruned to eliminate duplicates Z: 6 6.132 1.693 0.817 0.457 0.800 0.600 CB 1.165 Z: 54 25.095 1.850 0.863 0.497 0.830 0.453 CB 1.209 48 residues pruned to eliminate duplicates Z: 10 9.231 1.901 0.625 0.458 0.778 0.778 CB 1.337 10 residues pruned to eliminate duplicates Z: 11 13.536 1.909 0.582 0.776 0.900 0.600 CB 1.234 11 residues pruned to eliminate duplicates Z: 12 24.164 2.085 0.866 0.881 1.000 0.727 CB 1.357 11 residues pruned to eliminate duplicates Z: 54 33.301 2.037 0.794 0.549 0.925 0.604 CB 1.290 54 residues pruned to eliminate duplicates Z: 12 22.696 2.142 0.662 0.894 0.909 0.909 CA 1.517 12 residues pruned to eliminate duplicates Z: 19 28.230 2.134 0.815 0.703 0.889 0.556 CB 1.606 19 residues pruned to eliminate duplicates Z: 6 7.001 1.503 0.543 0.774 1.000 1.000 CA 1.060 6 residues pruned to eliminate duplicates Z: 30 10.551 1.787 0.568 0.245 0.724 0.276 CB 1.296 30 residues pruned to eliminate duplicates Z: 14 8.440 1.810 0.652 0.473 0.846 0.538 CB 0.951 14 residues pruned to eliminate duplicates Z: 16 15.272 1.959 0.524 0.479 0.933 0.600 CB 1.445 17 residues pruned to eliminate duplicates Z: 37 25.436 2.041 0.704 0.467 0.806 0.500 CB 1.564 37 residues pruned to eliminate duplicates Z: 7 13.492 1.838 0.496 0.871 1.000 0.833 CA 1.462 7 residues pruned to eliminate duplicates Z: 83 48.621 2.116 0.834 0.549 0.890 0.622 CB 1.482 86 residues pruned to eliminate duplicates Z: 11 14.687 1.759 0.681 0.679 1.000 0.800 CB 1.333 13 residues pruned to eliminate duplicates Z: 6 6.585 1.791 0.396 0.634 0.800 0.600 CB 1.299 Z: 15 18.564 1.914 0.929 0.917 0.857 0.571 CB 1.106 15 residues pruned to eliminate duplicates Z: 27 25.625 2.071 0.827 0.490 0.923 0.692 CB 1.454 27 residues pruned to eliminate duplicates Z: 15 16.987 2.048 0.779 0.548 0.786 0.571 CB 1.514 15 residues pruned to eliminate duplicates Z: 68 35.472 2.072 0.614 0.528 0.896 0.627 CB 1.408 76 residues pruned to eliminate duplicates Z: 34 22.085 2.088 0.681 0.495 0.818 0.727 CB 1.346 34 residues pruned to eliminate duplicates Z: 27 16.051 1.940 0.484 0.553 0.885 0.654 CB 1.174 27 residues pruned to eliminate duplicates Z: 12 22.305 1.787 1.121 0.900 0.909 0.818 CB 1.394 12 residues pruned to eliminate duplicates Z: 19 28.656 2.015 1.090 0.887 0.889 0.556 CB 1.301 19 residues pruned to eliminate duplicates Z: 19 28.490 2.051 1.030 0.872 0.944 0.722 CB 1.244 19 residues pruned to eliminate duplicates Z: 18 18.674 1.797 0.588 0.762 0.941 0.588 CB 1.337 18 residues pruned to eliminate duplicates Z: 11 8.999 1.775 0.659 0.793 0.900 0.900 CB 0.830 Z: 21 23.213 1.988 0.752 0.785 0.900 0.650 CB 1.289 21 residues pruned to eliminate duplicates Z: 17 25.892 1.971 0.741 0.914 1.000 0.938 CB 1.334 17 residues pruned to eliminate duplicates Z: 53 28.002 1.995 0.551 0.556 0.923 0.596 CB 1.287 53 residues pruned to eliminate duplicates Z: 12 15.221 2.012 0.337 0.897 1.000 0.818 CB 1.221 12 residues pruned to eliminate duplicates Z: 55 51.440 2.090 0.947 0.691 0.944 0.685 CB 1.530 53 residues pruned to eliminate duplicates Z: 55 18.850 1.933 0.553 0.362 0.889 0.556 CB 1.116 55 residues pruned to eliminate duplicates Z: 6 5.073 1.230 1.034 0.640 1.000 0.600 CA 0.795 6 residues pruned to eliminate duplicates Z: 22 28.214 2.005 0.730 0.806 0.952 0.810 CB 1.426 22 residues pruned to eliminate duplicates Z: 9 9.388 1.967 0.518 0.479 0.750 0.750 CB 1.515 Z: 6 3.432 1.925 -0.067 0.501 1.000 0.600 CB 0.854 Z: 58 34.456 2.035 0.804 0.556 0.860 0.649 CB 1.370 58 residues pruned to eliminate duplicates Z: 15 19.175 2.070 0.590 0.790 1.000 0.643 CB 1.208 15 residues pruned to eliminate duplicates Z: 14 19.765 1.958 0.668 0.903 0.846 0.462 CB 1.414 14 residues pruned to eliminate duplicates Z: 12 24.279 2.047 0.731 0.911 1.000 0.818 CB 1.464 12 residues pruned to eliminate duplicates Z: 16 6.497 1.833 0.293 0.275 0.800 0.467 CB 1.142 16 residues pruned to eliminate duplicates Z: 52 34.357 2.033 0.780 0.560 0.882 0.588 CB 1.422 52 residues pruned to eliminate duplicates Z: 45 27.576 2.043 0.755 0.493 0.864 0.545 CB 1.352 47 residues pruned to eliminate duplicates Z: 11 11.803 1.856 0.740 0.570 0.900 0.900 CB 1.200 11 residues pruned to eliminate duplicates Z: 14 23.036 1.878 0.856 0.871 0.923 0.615 CB 1.449 14 residues pruned to eliminate duplicates Z: 53 21.802 2.019 0.587 0.389 0.865 0.596 CB 1.227 53 residues pruned to eliminate duplicates Z: 22 29.411 2.110 0.866 0.788 0.905 0.762 CB 1.398 22 residues pruned to eliminate duplicates Z: 29 25.990 1.973 0.987 0.526 0.857 0.464 CB 1.425 29 residues pruned to eliminate duplicates Z: 18 11.339 1.985 0.615 0.365 0.824 0.588 CB 1.204 18 residues pruned to eliminate duplicates Z: 11 10.404 1.810 0.530 0.660 0.800 0.700 CB 1.279 11 residues pruned to eliminate duplicates Z: 8 11.217 1.678 0.600 0.805 1.000 0.857 N 1.209 8 residues pruned to eliminate duplicates Z: 10 10.712 1.912 0.354 0.848 1.000 0.667 CB 1.023 10 residues pruned to eliminate duplicates Z: 21 24.938 2.028 0.686 0.841 0.950 0.800 CB 1.280 21 residues pruned to eliminate duplicates Z: 21 23.593 2.013 0.565 0.788 0.950 0.650 CB 1.369 21 residues pruned to eliminate duplicates Z: 11 32.080 2.186 1.143 0.774 1.000 0.500 CA 1.700 11 residues pruned to eliminate duplicates Z: 14 22.566 1.946 0.913 0.813 0.923 0.769 CB 1.387 14 residues pruned to eliminate duplicates Z: 17 21.365 1.837 0.837 0.830 0.938 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 48 22.785 1.965 0.564 0.398 0.872 0.638 CB 1.380 48 residues pruned to eliminate duplicates Z: 65 32.128 2.055 0.636 0.492 0.906 0.672 CB 1.329 66 residues pruned to eliminate duplicates Z: 88 46.992 2.119 0.701 0.549 0.943 0.644 CB 1.414 88 residues pruned to eliminate duplicates Z: 7 4.852 1.765 0.714 0.248 0.667 0.500 O 1.313 Z: 15 21.880 1.823 0.873 0.902 1.000 0.571 CB 1.221 15 residues pruned to eliminate duplicates Z: 14 24.085 1.908 1.069 0.893 0.923 0.692 CB 1.316 14 residues pruned to eliminate duplicates Z: 6 11.045 1.965 0.503 0.777 1.000 0.800 CB 1.310 6 residues pruned to eliminate duplicates Z: 8 7.316 1.769 0.680 0.670 0.714 0.571 N 1.112 8 residues pruned to eliminate duplicates Z: 17 22.238 1.905 0.762 0.834 0.938 0.750 CB 1.325 17 residues pruned to eliminate duplicates Z: 37 29.827 2.078 0.698 0.558 0.917 0.556 CB 1.452 37 residues pruned to eliminate duplicates Z: 35 32.980 2.150 0.830 0.670 0.882 0.706 CB 1.392 36 residues pruned to eliminate duplicates Z: 14 15.556 1.912 0.599 0.922 1.000 1.000 CB 0.992 14 residues pruned to eliminate duplicates Z: 20 24.651 2.077 0.710 0.823 0.947 0.789 CB 1.271 20 residues pruned to eliminate duplicates Z: 7 8.364 1.822 0.829 0.777 0.833 0.500 CB 0.963 Z: 39 20.771 2.066 0.746 0.344 0.842 0.605 CB 1.314 39 residues pruned to eliminate duplicates Z: 12 21.066 1.691 0.808 0.842 1.000 0.636 O 1.548 12 residues pruned to eliminate duplicates Z: 14 16.133 1.927 0.757 0.767 0.769 0.615 CB 1.356 14 residues pruned to eliminate duplicates Z: 14 18.649 1.883 0.701 0.849 0.923 0.846 CB 1.296 14 residues pruned to eliminate duplicates Z: 22 22.569 1.980 0.522 0.808 0.952 0.810 CB 1.312 22 residues pruned to eliminate duplicates Z: 21 24.027 2.099 0.662 0.654 1.000 0.850 CB 1.334 21 residues pruned to eliminate duplicates Z: 18 19.187 1.966 0.682 0.574 0.882 0.588 CB 1.485 18 residues pruned to eliminate duplicates Z: 12 18.952 1.889 0.544 0.897 0.909 0.727 CB 1.542 12 residues pruned to eliminate duplicates Z: 29 20.116 2.028 0.679 0.447 0.893 0.714 CB 1.320 29 residues pruned to eliminate duplicates Z: 52 48.508 2.119 0.975 0.653 0.980 0.569 CB 1.436 52 residues pruned to eliminate duplicates Z: 19 27.032 1.969 0.939 0.894 0.889 0.667 CB 1.348 19 residues pruned to eliminate duplicates Z: 18 22.089 2.019 0.612 0.907 0.941 0.882 CB 1.243 18 residues pruned to eliminate duplicates Z: 18 18.171 1.842 0.700 0.726 0.824 0.647 CB 1.394 18 residues pruned to eliminate duplicates Z: 12 22.977 2.069 1.123 0.908 1.000 0.909 CB 1.120 12 residues pruned to eliminate duplicates Z: 23 21.990 1.970 0.567 0.797 0.909 0.636 CB 1.287 23 residues pruned to eliminate duplicates Z: 7 11.776 1.856 0.938 0.715 1.000 0.667 CB 1.100 7 residues pruned to eliminate duplicates Z: 12 19.122 1.916 0.690 0.876 0.909 0.727 CA 1.424 12 residues pruned to eliminate duplicates Z: 12 23.534 2.085 1.043 0.885 0.909 0.636 CB 1.323 12 residues pruned to eliminate duplicates Z: 21 21.656 1.948 0.590 0.836 0.900 0.750 CB 1.300 21 residues pruned to eliminate duplicates Z: 6 7.335 1.980 0.301 0.730 0.800 0.600 CB 1.294 6 residues pruned to eliminate duplicates Z: 6 6.006 1.744 0.848 0.432 0.800 0.400 N 1.118 6 residues pruned to eliminate duplicates Z: 7 4.697 1.619 0.690 0.566 1.000 0.500 CB 0.658 Z: 12 15.275 1.648 0.519 0.891 1.000 0.909 CB 1.323 11 residues pruned to eliminate duplicates Z: 50 35.095 2.113 0.626 0.620 0.918 0.612 CB 1.419 50 residues pruned to eliminate duplicates Z: 12 9.283 1.815 0.630 0.400 0.909 0.364 CB 1.156 12 residues pruned to eliminate duplicates Z: 9 4.856 1.708 0.304 0.411 0.750 0.500 CB 1.129 Z: 56 32.867 2.013 0.761 0.539 0.909 0.564 CB 1.324 52 residues pruned to eliminate duplicates Z: 18 18.084 1.809 0.594 0.671 0.941 0.529 CB 1.380 18 residues pruned to eliminate duplicates Z: 14 14.781 1.849 0.527 0.885 0.846 0.846 CB 1.239 14 residues pruned to eliminate duplicates Z: 26 17.003 2.018 0.558 0.350 0.960 0.680 CB 1.325 26 residues pruned to eliminate duplicates Z: 13 24.353 1.817 0.669 0.865 1.000 0.917 CB 1.698 13 residues pruned to eliminate duplicates Z: 19 30.900 2.009 1.139 0.827 1.000 0.722 CB 1.278 19 residues pruned to eliminate duplicates Z: 11 5.697 1.895 0.773 0.431 0.700 0.600 CB 0.823 Z: 51 31.048 1.890 0.834 0.612 0.900 0.440 CB 1.265 47 residues pruned to eliminate duplicates Z: 10 6.645 1.746 1.266 0.886 1.000 0.889 CB 0.404 Z: 8 4.763 1.859 0.777 0.884 1.000 1.000 CB 0.394 8 residues pruned to eliminate duplicates Z: 10 14.578 1.930 0.385 0.804 0.889 0.889 CB 1.568 10 residues pruned to eliminate duplicates Z: 22 25.869 1.972 0.661 0.809 1.000 0.667 CB 1.316 22 residues pruned to eliminate duplicates Z: 7 6.297 1.741 0.560 0.646 0.667 0.667 N 1.240 Z: 21 21.842 1.994 0.760 0.810 0.900 0.850 CB 1.181 21 residues pruned to eliminate duplicates Z: 15 26.775 1.957 0.867 0.935 1.000 1.000 CB 1.365 15 residues pruned to eliminate duplicates Z: 18 37.791 2.110 0.982 0.922 1.000 0.941 CB 1.542 18 residues pruned to eliminate duplicates Z: 7 5.446 1.804 0.401 0.321 0.667 0.333 O 1.607 7 residues pruned to eliminate duplicates Z: 17 16.399 1.930 0.558 0.788 0.875 0.812 CB 1.209 17 residues pruned to eliminate duplicates Z: 19 23.783 2.109 0.609 0.759 0.944 0.889 CB 1.389 19 residues pruned to eliminate duplicates Z: 45 23.794 1.938 0.536 0.521 0.909 0.545 CB 1.298 45 residues pruned to eliminate duplicates Z: 11 19.097 1.973 0.811 0.747 0.900 0.700 CB 1.506 11 residues pruned to eliminate duplicates Z: 14 9.816 1.733 0.619 0.461 0.769 0.538 CB 1.313 6 residues pruned to eliminate duplicates Z: 6 4.407 1.763 -0.070 0.726 1.000 1.000 CB 0.981 6 residues pruned to eliminate duplicates Z: 24 19.705 1.861 0.521 0.789 0.957 0.696 CB 1.178 24 residues pruned to eliminate duplicates Z: 17 20.386 1.908 0.566 0.742 0.938 0.625 CB 1.464 17 residues pruned to eliminate duplicates Z: 7 3.431 1.305 0.370 0.528 0.833 0.333 CB 0.914 7 residues pruned to eliminate duplicates Z: 20 10.913 1.898 0.702 0.333 0.842 0.421 CB 1.105 20 residues pruned to eliminate duplicates Z: 9 16.035 1.803 0.718 0.840 1.000 0.875 N 1.366 9 residues pruned to eliminate duplicates Z: 13 3.862 1.717 0.491 0.209 0.750 0.333 CB 0.820 13 residues pruned to eliminate duplicates Z: 16 24.143 1.932 0.974 0.898 0.933 0.600 CB 1.253 16 residues pruned to eliminate duplicates Z: 48 29.566 2.049 0.709 0.560 0.851 0.617 CB 1.365 48 residues pruned to eliminate duplicates Z: 17 18.243 2.002 0.692 0.598 0.812 0.688 CB 1.509 17 residues pruned to eliminate duplicates Z: 11 27.723 2.236 0.930 0.740 1.000 0.900 CB 1.639 11 residues pruned to eliminate duplicates Z: 54 26.738 1.986 0.722 0.543 0.830 0.547 CB 1.239 54 residues pruned to eliminate duplicates Z: 7 4.091 1.626 0.304 0.411 1.000 0.333 CB 0.865 7 residues pruned to eliminate duplicates Z: 14 33.602 2.193 0.997 0.893 1.000 0.846 CB 1.527 14 residues pruned to eliminate duplicates Z: 14 23.377 1.923 1.132 0.895 0.923 0.923 CB 1.229 14 residues pruned to eliminate duplicates Z: 24 14.803 1.892 0.578 0.608 0.913 0.652 CB 1.023 24 residues pruned to eliminate duplicates Z: 13 19.551 1.909 0.786 0.889 1.000 0.750 CB 1.193 13 residues pruned to eliminate duplicates Z: 16 14.801 1.886 0.682 0.883 0.933 0.867 CB 0.933 16 residues pruned to eliminate duplicates Z: 8 10.711 1.944 0.833 0.745 0.857 0.714 CB 1.064 8 residues pruned to eliminate duplicates Z: 9 8.872 1.821 0.453 0.648 0.750 0.625 CB 1.377 9 residues pruned to eliminate duplicates Z: 12 18.736 1.808 0.607 0.879 0.909 0.727 CA 1.550 12 residues pruned to eliminate duplicates 8 1.710 1.696 0.063 0.376 0.571 0.429 CB 0.717 ? Z: 24 26.536 1.938 0.691 0.830 0.957 0.826 CB 1.328 24 residues pruned to eliminate duplicates Z: 26 13.921 1.882 0.803 0.411 0.760 0.520 CB 1.185 26 residues pruned to eliminate duplicates Z: 12 11.473 1.889 0.241 0.783 0.909 0.545 CB 1.265 12 residues pruned to eliminate duplicates Z: 10 3.802 1.825 0.018 0.677 0.889 0.444 CB 0.652 Z: 12 8.618 1.763 0.660 0.441 0.818 0.636 N 1.153 12 residues pruned to eliminate duplicates Z: 21 14.617 1.714 0.520 0.739 0.800 0.500 CB 1.266 21 residues pruned to eliminate duplicates Z: 14 20.650 1.985 0.458 0.872 1.000 0.846 CB 1.444 14 residues pruned to eliminate duplicates Z: 8 6.855 1.594 0.763 0.792 1.000 0.857 CB 0.713 Z: 8 3.447 1.518 0.179 0.442 0.714 0.571 CB 1.081 Z: 11 4.961 1.736 0.549 0.337 0.700 0.300 CB 0.996 Z: 51 22.384 1.941 0.610 0.395 0.880 0.600 CB 1.286 51 residues pruned to eliminate duplicates Z: 42 37.675 2.148 0.777 0.613 0.902 0.659 CB 1.535 42 residues pruned to eliminate duplicates Z: 32 28.137 1.972 0.857 0.634 0.935 0.581 CB 1.301 32 residues pruned to eliminate duplicates Z: 54 32.551 2.023 0.648 0.560 0.981 0.660 CB 1.289 54 residues pruned to eliminate duplicates Z: 12 8.776 1.740 0.680 0.825 0.909 0.909 CB 0.751 18 residues pruned to eliminate duplicates Z: 7 6.294 1.634 0.525 0.769 0.833 0.500 CB 0.975 7 residues pruned to eliminate duplicates Z: 22 16.283 1.981 0.341 0.609 0.857 0.762 CB 1.407 22 residues pruned to eliminate duplicates Z: 26 15.659 1.995 0.640 0.350 0.880 0.680 CB 1.280 26 residues pruned to eliminate duplicates Z: 11 10.059 1.920 0.125 0.841 0.900 0.800 CB 1.220 11 residues pruned to eliminate duplicates Z: 14 16.738 1.800 0.908 0.586 0.923 0.692 N 1.348 14 residues pruned to eliminate duplicates Z: 52 36.125 2.083 0.718 0.585 0.922 0.608 CB 1.414 75 residues pruned to eliminate duplicates Z: 15 20.907 1.951 0.828 0.685 0.857 0.714 CB 1.543 15 residues pruned to eliminate duplicates Z: 6 7.362 1.562 0.789 0.689 0.800 0.800 N 1.239 Z: 6 2.396 1.659 0.765 0.276 0.600 0.600 CB 0.786 Z: 15 17.040 2.075 0.713 0.634 1.000 0.714 CB 1.130 15 residues pruned to eliminate duplicates Z: 37 27.991 1.989 0.757 0.584 0.944 0.722 CB 1.304 37 residues pruned to eliminate duplicates Z: 13 10.638 1.878 0.480 0.481 0.833 0.333 CB 1.352 11 residues pruned to eliminate duplicates Z: 7 3.671 1.758 0.445 0.386 0.500 0.500 O 1.332 7 residues pruned to eliminate duplicates Z: 14 25.447 1.799 1.161 0.877 1.000 0.538 CB 1.319 14 residues pruned to eliminate duplicates Z: 24 12.749 1.840 0.808 0.611 0.783 0.565 CB 0.919 24 residues pruned to eliminate duplicates Z: 95 47.363 2.104 0.770 0.521 0.915 0.670 CB 1.404 95 residues pruned to eliminate duplicates Z: 11 5.746 1.500 0.635 0.598 0.800 0.500 CB 0.843 Z: 51 31.473 1.956 0.819 0.564 0.920 0.560 CB 1.278 51 residues pruned to eliminate duplicates Z: 15 9.591 1.900 0.531 0.627 0.643 0.571 CB 1.217 15 residues pruned to eliminate duplicates Z: 25 19.209 1.996 0.517 0.472 0.917 0.625 CB 1.453 25 residues pruned to eliminate duplicates Z: 25 16.700 1.902 0.681 0.445 0.917 0.542 CB 1.230 25 residues pruned to eliminate duplicates Z: 9 14.555 1.958 0.693 0.706 0.875 0.500 CB 1.471 9 residues pruned to eliminate duplicates Z: 7 5.748 1.738 0.390 0.840 1.000 0.667 CB 0.725 Z: 74 35.189 2.060 0.661 0.475 0.904 0.658 CB 1.365 74 residues pruned to eliminate duplicates Z: 10 10.736 1.629 0.752 0.694 0.889 0.667 CB 1.181 10 residues pruned to eliminate duplicates Z: 8 4.091 1.511 0.665 0.465 0.714 0.571 CB 0.892 Z: 15 14.148 1.927 0.240 0.885 0.929 0.857 CB 1.230 15 residues pruned to eliminate duplicates Z: 10 6.523 1.609 0.562 0.449 0.778 0.556 CB 1.172 4 residues pruned to eliminate duplicates Z: 56 47.711 2.113 0.755 0.674 0.945 0.709 CB 1.563 56 residues pruned to eliminate duplicates Z: 6 4.081 1.780 0.754 0.516 0.600 0.600 CB 0.958 Z: 7 5.967 1.840 0.639 0.762 0.500 0.333 CB 1.280 7 residues pruned to eliminate duplicates Z: 10 4.295 1.688 0.443 0.347 0.778 0.333 CB 0.892 5 residues pruned to eliminate duplicates Z: 20 30.386 1.986 0.836 0.874 0.947 0.895 CB 1.469 20 residues pruned to eliminate duplicates Z: 19 25.291 1.902 0.715 0.909 1.000 0.611 CB 1.297 19 residues pruned to eliminate duplicates 6 1.522 1.413 0.417 0.270 0.800 0.800 CB 0.552 ? Z: 19 19.049 1.933 0.585 0.871 0.944 0.833 CB 1.132 19 residues pruned to eliminate duplicates Z: 44 27.180 1.990 0.789 0.441 0.907 0.628 CB 1.364 44 residues pruned to eliminate duplicates Z: 10 8.026 1.690 0.885 0.533 0.667 0.444 CB 1.220 Z: 13 5.653 1.674 0.365 0.485 0.667 0.500 CB 1.087 16 residues pruned to eliminate duplicates Z: 17 12.045 1.944 0.595 0.378 0.812 0.688 CB 1.362 17 residues pruned to eliminate duplicates Z: 13 3.061 1.602 0.669 0.119 0.583 0.167 CB 0.916 Z: 9 5.984 1.851 0.108 0.399 0.750 0.375 CB 1.529 9 residues pruned to eliminate duplicates Z: 30 15.884 2.004 0.590 0.409 0.862 0.586 CB 1.181 30 residues pruned to eliminate duplicates Z: 15 21.529 1.937 0.748 0.896 0.929 0.786 CB 1.310 15 residues pruned to eliminate duplicates Z: 28 20.198 2.023 0.583 0.554 0.926 0.630 CB 1.243 28 residues pruned to eliminate duplicates Z: 25 29.406 2.106 0.822 0.577 0.917 0.708 CB 1.585 35 residues pruned to eliminate duplicates Z: 53 32.577 2.033 0.708 0.586 0.865 0.654 CB 1.384 53 residues pruned to eliminate duplicates Z: 10 10.955 1.744 0.962 0.773 1.000 0.444 CB 0.838 10 residues pruned to eliminate duplicates Z: 34 20.251 2.003 0.631 0.487 0.848 0.667 CB 1.289 34 residues pruned to eliminate duplicates Z: 21 22.629 2.017 0.675 0.830 0.950 0.800 CB 1.186 21 residues pruned to eliminate duplicates Z: 6 5.702 1.937 0.826 0.327 0.800 0.600 CB 1.090 6 residues pruned to eliminate duplicates Z: 14 18.062 1.710 0.814 0.854 0.923 0.615 CB 1.292 14 residues pruned to eliminate duplicates Z: 10 9.886 1.802 0.668 0.354 1.000 0.778 CB 1.283 10 residues pruned to eliminate duplicates 10 1.934 1.522 0.546 0.166 0.333 0.333 CB 1.234 ? Z: 12 9.347 1.692 0.660 0.682 0.818 0.364 CB 1.038 12 residues pruned to eliminate duplicates Z: 14 6.749 1.585 0.707 0.489 0.923 0.462 CB 0.758 14 residues pruned to eliminate duplicates Z: 10 4.070 1.620 0.466 0.358 0.556 0.333 N 1.198 6 1.376 1.274 0.675 0.286 0.600 0.600 CB 0.612 ? Z: 10 8.981 1.667 0.498 0.710 0.889 0.778 CB 1.114 10 residues pruned to eliminate duplicates Z: 7 4.670 1.992 0.308 0.758 1.000 1.000 CB 0.581 Z: 11 16.953 2.098 0.991 0.901 0.900 0.700 CB 1.018 11 residues pruned to eliminate duplicates 6 0.403 1.465 0.091 0.294 0.400 0.400 CB 0.355 ? Z: 7 4.349 1.249 0.480 0.787 0.833 0.833 O 0.895 Z: 9 5.136 1.806 0.498 0.150 0.875 0.375 CB 1.180 9 residues pruned to eliminate duplicates Z: 9 10.442 1.597 0.212 0.818 1.000 0.875 O 1.447 9 residues pruned to eliminate duplicates Z: 9 3.353 1.361 0.508 0.471 0.625 0.375 CB 0.952 9 residues pruned to eliminate duplicates Z: 24 16.805 1.976 0.636 0.490 0.913 0.652 CB 1.199 24 residues pruned to eliminate duplicates Z: 8 3.063 1.761 0.132 0.496 0.714 0.429 CB 0.816 Z: 26 14.535 1.891 0.405 0.582 0.840 0.720 CB 1.204 26 residues pruned to eliminate duplicates Z: 26 29.027 2.078 0.911 0.599 0.920 0.600 CB 1.445 26 residues pruned to eliminate duplicates Z: 6 7.586 1.770 0.575 0.555 0.800 0.600 CB 1.442 Z: 29 18.836 1.871 0.553 0.741 0.857 0.643 CB 1.152 29 residues pruned to eliminate duplicates Z: 8 2.425 1.701 0.678 0.445 0.857 0.714 CB 0.397 Z: 23 21.241 2.032 0.576 0.586 0.909 0.727 CB 1.432 23 residues pruned to eliminate duplicates Z: 15 18.468 1.998 0.783 0.641 0.929 0.714 CB 1.308 15 residues pruned to eliminate duplicates Z: 17 16.627 1.837 0.630 0.719 0.812 0.625 CB 1.402 26 residues pruned to eliminate duplicates Z: 30 16.399 1.830 0.641 0.529 0.828 0.448 CB 1.191 30 residues pruned to eliminate duplicates Z: 14 10.460 1.809 0.300 0.735 0.846 0.769 CB 1.180 14 residues pruned to eliminate duplicates Z: 81 43.791 2.125 0.707 0.512 0.925 0.613 CB 1.443 81 residues pruned to eliminate duplicates Z: 12 11.697 1.764 0.228 0.750 1.000 0.727 CB 1.302 12 residues pruned to eliminate duplicates Z: 55 32.625 2.031 0.712 0.577 0.907 0.648 CB 1.307 55 residues pruned to eliminate duplicates Z: 8 4.493 1.769 0.420 0.757 0.857 0.857 CB 0.627 8 residues pruned to eliminate duplicates Z: 6 4.181 1.714 1.065 0.622 0.800 0.400 CB 0.589 Z: 6 4.573 1.763 0.910 0.435 1.000 0.400 CB 0.650 6 residues pruned to eliminate duplicates Z: 13 17.084 1.703 0.564 0.813 1.000 0.667 CA 1.411 12 residues pruned to eliminate duplicates Z: 27 16.458 1.921 0.459 0.428 0.962 0.654 CB 1.290 27 residues pruned to eliminate duplicates Z: 8 4.610 1.651 0.366 0.507 0.571 0.286 O 1.342 8 residues pruned to eliminate duplicates Z: 50 31.965 1.943 0.822 0.611 0.898 0.571 CB 1.292 46 residues pruned to eliminate duplicates Z: 54 32.915 2.024 0.659 0.571 0.962 0.604 CB 1.307 54 residues pruned to eliminate duplicates Z: 21 21.848 1.987 0.624 0.806 0.900 0.650 CB 1.288 21 residues pruned to eliminate duplicates Z: 31 17.288 1.943 0.531 0.425 0.900 0.700 CB 1.274 31 residues pruned to eliminate duplicates Z: 13 29.358 2.184 0.777 0.892 1.000 0.833 CB 1.569 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 13 11.289 1.867 0.503 0.708 0.917 0.750 CB 1.048 13 residues pruned to eliminate duplicates Z: 10 19.230 2.009 0.570 0.820 1.000 0.778 CB 1.539 10 residues pruned to eliminate duplicates Z: 11 16.547 1.990 0.642 0.725 1.000 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 12 11.478 1.945 0.604 0.705 0.818 0.545 CB 1.125 12 residues pruned to eliminate duplicates Z: 11 15.473 1.979 0.693 0.779 0.900 0.700 CB 1.268 11 residues pruned to eliminate duplicates Z: 17 11.216 1.771 0.893 0.511 0.938 0.500 CB 0.883 17 residues pruned to eliminate duplicates Z: 15 10.585 1.821 0.799 0.595 0.643 0.500 CB 1.226 15 residues pruned to eliminate duplicates Z: 11 17.587 2.022 0.801 0.780 0.900 0.600 CB 1.326 12 residues pruned to eliminate duplicates Z: 12 19.690 1.802 0.707 0.799 1.000 0.545 N 1.486 12 residues pruned to eliminate duplicates Z: 12 20.664 1.808 0.837 0.840 0.909 0.909 CB 1.539 11 residues pruned to eliminate duplicates Z: 6 4.613 1.516 0.776 0.263 0.800 0.600 N 1.256 6 residues pruned to eliminate duplicates Z: 49 32.367 2.043 0.748 0.614 0.896 0.583 CB 1.311 49 residues pruned to eliminate duplicates Z: 9 3.893 1.500 0.166 0.317 0.750 0.625 CB 1.284 9 residues pruned to eliminate duplicates Z: 50 33.721 2.079 0.688 0.621 0.918 0.633 CB 1.334 50 residues pruned to eliminate duplicates Z: 40 31.797 1.966 0.678 0.696 0.923 0.667 CB 1.397 40 residues pruned to eliminate duplicates Z: 33 22.721 1.977 0.422 0.653 0.906 0.656 CB 1.368 33 residues pruned to eliminate duplicates Z: 18 19.026 1.908 0.700 0.682 0.882 0.471 CB 1.364 19 residues pruned to eliminate duplicates Z: 17 18.785 1.873 0.612 0.770 0.938 0.562 CB 1.306 17 residues pruned to eliminate duplicates Z: 32 23.302 1.911 0.610 0.572 0.903 0.645 CB 1.405 32 residues pruned to eliminate duplicates Z: 44 21.018 1.860 0.531 0.641 0.860 0.651 CB 1.146 35 residues pruned to eliminate duplicates Z: 18 19.625 1.855 0.591 0.730 0.941 0.647 CB 1.392 18 residues pruned to eliminate duplicates Z: 34 28.755 1.978 0.649 0.688 0.939 0.606 CB 1.374 34 residues pruned to eliminate duplicates Z: 51 27.186 1.899 0.661 0.625 0.900 0.600 CB 1.204 49 residues pruned to eliminate duplicates Z: 20 11.951 1.674 0.531 0.629 0.789 0.579 CB 1.200 20 residues pruned to eliminate duplicates Z: 80 40.535 1.931 0.718 0.613 0.911 0.633 CB 1.355 107 residues pruned to eliminate duplicates Z: 20 15.675 1.821 0.680 0.702 0.737 0.474 CB 1.327 20 residues pruned to eliminate duplicates Z: 31 23.999 1.960 0.476 0.655 0.933 0.667 CB 1.405 31 residues pruned to eliminate duplicates Z: 33 25.970 1.996 0.680 0.660 0.875 0.500 CB 1.349 33 residues pruned to eliminate duplicates Z: 52 25.327 1.926 0.607 0.568 0.902 0.510 CB 1.190 52 residues pruned to eliminate duplicates Z: 35 25.782 1.941 0.672 0.641 0.941 0.529 CB 1.268 35 residues pruned to eliminate duplicates Z: 35 17.308 1.824 0.574 0.478 0.824 0.382 CB 1.284 35 residues pruned to eliminate duplicates Z: 58 33.050 1.893 0.754 0.638 0.947 0.544 CB 1.222 58 residues pruned to eliminate duplicates Z: 38 17.880 1.812 0.565 0.423 0.838 0.351 CB 1.340 38 residues pruned to eliminate duplicates Z: 26 26.407 1.973 0.707 0.755 0.960 0.680 CB 1.302 26 residues pruned to eliminate duplicates Z: 46 27.715 1.924 0.666 0.651 0.911 0.578 CB 1.229 46 residues pruned to eliminate duplicates Z: 41 26.666 1.934 0.678 0.660 0.925 0.600 CB 1.211 41 residues pruned to eliminate duplicates Z: 48 30.726 1.897 0.755 0.635 0.936 0.596 CB 1.267 48 residues pruned to eliminate duplicates Z: 52 26.441 1.856 0.667 0.606 0.902 0.510 CB 1.199 52 residues pruned to eliminate duplicates Z: 46 22.401 1.837 0.735 0.547 0.867 0.489 CB 1.154 59 residues pruned to eliminate duplicates Z: 32 20.898 1.939 0.775 0.562 0.903 0.387 CB 1.137 32 residues pruned to eliminate duplicates Z: 40 33.317 1.943 0.795 0.698 0.974 0.513 CB 1.311 40 residues pruned to eliminate duplicates Z: 48 32.802 1.979 0.751 0.625 0.915 0.553 CB 1.341 48 residues pruned to eliminate duplicates Z: 15 21.195 1.964 0.753 0.854 1.000 0.571 CB 1.216 15 residues pruned to eliminate duplicates Z: 49 26.631 1.919 0.777 0.554 0.896 0.542 CB 1.194 49 residues pruned to eliminate duplicates Z: 40 29.900 1.946 0.778 0.657 0.949 0.641 CB 1.260 40 residues pruned to eliminate duplicates Z: 48 26.454 1.916 0.790 0.612 0.851 0.681 CB 1.189 48 residues pruned to eliminate duplicates Z: 47 27.425 1.955 0.690 0.595 0.870 0.543 CB 1.285 47 residues pruned to eliminate duplicates Z: 50 28.708 1.939 0.732 0.647 0.857 0.592 CB 1.242 50 residues pruned to eliminate duplicates Z: 31 25.453 1.989 1.019 0.663 0.833 0.667 CB 1.195 31 residues pruned to eliminate duplicates Z: 43 30.406 1.939 0.837 0.655 0.929 0.643 CB 1.229 43 residues pruned to eliminate duplicates Z: 51 28.644 1.898 0.725 0.564 0.900 0.520 CB 1.292 51 residues pruned to eliminate duplicates Z: 30 27.397 1.995 0.865 0.683 0.897 0.586 CB 1.289 30 residues pruned to eliminate duplicates Z: 28 26.405 2.029 0.920 0.668 0.889 0.556 CB 1.257 28 residues pruned to eliminate duplicates Z: 22 20.901 1.998 0.878 0.648 0.905 0.476 CB 1.171 22 residues pruned to eliminate duplicates Z: 55 27.215 1.900 0.709 0.625 0.907 0.556 CB 1.117 55 residues pruned to eliminate duplicates Z: 42 31.623 2.019 0.700 0.667 0.951 0.683 CB 1.296 42 residues pruned to eliminate duplicates Z: 64 36.003 1.977 0.664 0.640 0.905 0.619 CB 1.337 64 residues pruned to eliminate duplicates Z: 62 30.046 1.998 0.644 0.550 0.869 0.607 CB 1.284 62 residues pruned to eliminate duplicates Z: 66 35.371 1.958 0.701 0.617 0.892 0.600 CB 1.321 66 residues pruned to eliminate duplicates Z: 18 21.516 2.083 0.483 0.673 0.941 0.824 CB 1.530 18 residues pruned to eliminate duplicates Z: 20 18.232 1.983 0.729 0.564 0.842 0.684 CB 1.361 20 residues pruned to eliminate duplicates Z: 18 20.513 2.082 0.508 0.660 1.000 0.882 CB 1.366 18 residues pruned to eliminate duplicates Z: 24 19.124 1.917 0.693 0.549 0.870 0.652 CB 1.346 36 residues pruned to eliminate duplicates Z: 102 44.747 1.963 0.763 0.618 0.911 0.653 CB 1.263 102 residues pruned to eliminate duplicates Z: 20 20.816 2.030 0.786 0.640 0.842 0.737 CB 1.371 20 residues pruned to eliminate duplicates Z: 18 15.894 2.007 0.514 0.664 0.882 0.824 CB 1.235 18 residues pruned to eliminate duplicates Z: 19 20.251 2.032 0.601 0.677 1.000 0.833 CB 1.247 19 residues pruned to eliminate duplicates Z: 21 20.436 2.054 0.587 0.658 1.000 0.750 CB 1.211 21 residues pruned to eliminate duplicates Z: 25 19.413 1.969 0.583 0.577 0.917 0.625 CB 1.288 25 residues pruned to eliminate duplicates Z: 19 20.774 2.059 0.794 0.663 0.944 0.833 CB 1.207 19 residues pruned to eliminate duplicates Z: 16 22.092 2.116 0.726 0.664 1.000 0.800 CB 1.341 16 residues pruned to eliminate duplicates Z: 32 24.273 2.022 0.736 0.496 0.903 0.548 CB 1.380 32 residues pruned to eliminate duplicates Z: 36 14.586 1.965 0.558 0.300 0.800 0.400 CB 1.258 36 residues pruned to eliminate duplicates Z: 48 22.930 1.980 0.677 0.417 0.894 0.617 CB 1.228 48 residues pruned to eliminate duplicates Z: 43 27.370 2.065 0.672 0.472 0.952 0.714 CB 1.321 43 residues pruned to eliminate duplicates Z: 31 15.347 1.958 0.690 0.323 0.833 0.600 CB 1.234 31 residues pruned to eliminate duplicates Z: 56 26.237 1.996 0.675 0.481 0.855 0.673 CB 1.262 56 residues pruned to eliminate duplicates Z: 48 22.811 2.007 0.568 0.440 0.915 0.617 CB 1.230 48 residues pruned to eliminate duplicates Z: 44 23.337 1.985 0.588 0.450 0.930 0.605 CB 1.278 44 residues pruned to eliminate duplicates Z: 93 40.141 1.967 0.766 0.513 0.891 0.543 CB 1.334 93 residues pruned to eliminate duplicates Z: 29 17.027 1.972 0.698 0.340 0.893 0.607 CB 1.281 29 residues pruned to eliminate duplicates Z: 54 23.653 1.974 0.528 0.419 0.906 0.623 CB 1.293 54 residues pruned to eliminate duplicates Z: 54 22.468 2.002 0.558 0.372 0.887 0.660 CB 1.279 54 residues pruned to eliminate duplicates Z: 43 22.064 2.006 0.700 0.414 0.905 0.667 CB 1.208 43 residues pruned to eliminate duplicates Z: 59 27.118 1.993 0.546 0.443 0.931 0.741 CB 1.316 59 residues pruned to eliminate duplicates Z: 30 13.022 1.929 0.537 0.299 0.862 0.552 CB 1.184 30 residues pruned to eliminate duplicates Z: 27 15.258 2.001 0.608 0.289 0.885 0.615 CB 1.333 27 residues pruned to eliminate duplicates Z: 29 16.136 1.990 0.601 0.305 0.893 0.679 CB 1.331 29 residues pruned to eliminate duplicates Z: 65 31.572 2.047 0.652 0.497 0.906 0.766 CB 1.292 65 residues pruned to eliminate duplicates Z: 34 13.384 1.895 0.603 0.268 0.879 0.455 CB 1.136 34 residues pruned to eliminate duplicates Z: 47 21.989 1.945 0.623 0.380 0.891 0.652 CB 1.309 47 residues pruned to eliminate duplicates Z: 13 8.350 1.956 0.408 0.246 0.917 0.500 CB 1.279 13 residues pruned to eliminate duplicates Z: 64 25.046 2.009 0.606 0.422 0.889 0.667 CB 1.194 64 residues pruned to eliminate duplicates Z: 41 16.647 1.991 0.478 0.321 0.900 0.650 CB 1.211 41 residues pruned to eliminate duplicates Z: 45 24.269 2.035 0.695 0.420 0.864 0.659 CB 1.335 45 residues pruned to eliminate duplicates Z: 66 26.237 2.015 0.494 0.442 0.892 0.631 CB 1.286 66 residues pruned to eliminate duplicates Z: 30 16.875 1.872 0.727 0.479 0.862 0.586 CB 1.148 30 residues pruned to eliminate duplicates Z: 30 19.125 1.958 0.626 0.479 0.931 0.690 CB 1.223 20 residues pruned to eliminate duplicates Z: 7 8.484 2.189 0.420 0.655 0.833 0.667 CB 1.158 7 residues pruned to eliminate duplicates Z: 93 38.920 2.034 0.664 0.529 0.924 0.663 CB 1.261 93 residues pruned to eliminate duplicates Z: 24 18.334 2.038 0.403 0.608 0.957 0.826 CB 1.261 24 residues pruned to eliminate duplicates Z: 46 25.094 2.010 0.521 0.617 0.933 0.667 CB 1.174 31 residues pruned to eliminate duplicates Z: 6 13.788 1.987 0.768 0.762 1.000 0.800 CA 1.390 6 residues pruned to eliminate duplicates Z: 22 21.592 2.083 0.472 0.651 1.000 0.905 CB 1.336 22 residues pruned to eliminate duplicates Z: 22 20.425 2.079 0.443 0.638 1.000 0.905 CB 1.306 22 residues pruned to eliminate duplicates Z: 31 18.179 2.034 0.585 0.482 0.933 0.900 CB 1.123 31 residues pruned to eliminate duplicates Z: 66 29.140 2.023 0.553 0.503 0.938 0.692 CB 1.222 66 residues pruned to eliminate duplicates Z: 45 25.930 2.009 0.570 0.617 0.955 0.795 CB 1.162 45 residues pruned to eliminate duplicates Z: 38 23.518 2.008 0.541 0.557 0.973 0.757 CB 1.215 38 residues pruned to eliminate duplicates Z: 21 21.744 2.065 0.508 0.666 1.000 0.950 CB 1.340 21 residues pruned to eliminate duplicates Z: 21 22.140 2.089 0.591 0.680 0.950 0.900 CB 1.329 21 residues pruned to eliminate duplicates Z: 31 17.661 2.000 0.539 0.494 0.867 0.633 CB 1.216 31 residues pruned to eliminate duplicates Z: 111 39.842 1.990 0.601 0.542 0.918 0.727 CB 1.246 111 residues pruned to eliminate duplicates Z: 89 33.221 1.998 0.567 0.505 0.909 0.727 CB 1.237 89 residues pruned to eliminate duplicates Z: 44 27.402 2.042 0.599 0.638 0.953 0.767 CB 1.179 46 residues pruned to eliminate duplicates Z: 14 18.662 1.897 0.626 0.905 1.000 0.846 CB 1.194 14 residues pruned to eliminate duplicates Z: 65 31.695 2.050 0.616 0.491 0.922 0.719 CB 1.310 65 residues pruned to eliminate duplicates Z: 22 25.035 2.087 0.694 0.630 1.000 0.762 CB 1.367 22 residues pruned to eliminate duplicates Z: 25 19.133 2.066 0.563 0.594 0.917 0.750 CB 1.206 25 residues pruned to eliminate duplicates Z: 37 27.263 2.032 0.826 0.587 0.917 0.694 CB 1.229 37 residues pruned to eliminate duplicates Z: 46 27.615 2.020 0.592 0.641 0.933 0.733 CB 1.202 47 residues pruned to eliminate duplicates Z: 6 2.593 1.367 0.573 0.340 0.800 0.200 N 0.802 Z: 7 2.480 1.460 0.469 0.149 0.667 0.333 N 1.091 5 residues pruned to eliminate duplicates Z: 18 21.196 1.853 0.884 0.718 0.882 0.588 CB 1.370 25 residues pruned to eliminate duplicates Z: 14 14.192 1.971 0.432 0.737 1.000 0.846 CB 1.128 14 residues pruned to eliminate duplicates Z: 13 13.824 2.002 0.917 0.574 0.833 0.750 CB 1.162 13 residues pruned to eliminate duplicates Z: 19 19.106 2.018 0.693 0.752 0.889 0.778 CB 1.184 19 residues pruned to eliminate duplicates Z: 22 20.527 2.004 0.816 0.694 0.905 0.667 CB 1.139 22 residues pruned to eliminate duplicates Z: 19 22.751 2.047 0.879 0.736 0.889 0.778 CB 1.269 19 residues pruned to eliminate duplicates Z: 21 20.451 1.996 0.773 0.646 0.950 0.650 CB 1.188 21 residues pruned to eliminate duplicates Z: 20 21.771 2.064 0.738 0.677 0.947 0.632 CB 1.249 20 residues pruned to eliminate duplicates Z: 21 20.303 2.017 0.590 0.712 0.950 0.700 CB 1.230 21 residues pruned to eliminate duplicates Z: 21 21.603 2.034 0.865 0.690 0.900 0.700 CB 1.189 21 residues pruned to eliminate duplicates Z: 22 25.089 2.040 0.959 0.674 0.905 0.714 CB 1.290 22 residues pruned to eliminate duplicates Z: 84 43.230 2.037 0.758 0.607 0.916 0.639 CB 1.307 84 residues pruned to eliminate duplicates Z: 25 22.714 1.940 0.843 0.635 0.917 0.625 CB 1.247 25 residues pruned to eliminate duplicates Z: 54 21.618 1.869 0.610 0.459 0.887 0.509 CB 1.161 54 residues pruned to eliminate duplicates Z: 36 28.582 1.993 0.676 0.661 0.971 0.743 CB 1.283 36 residues pruned to eliminate duplicates Z: 42 24.891 1.934 0.604 0.590 0.902 0.585 CB 1.274 42 residues pruned to eliminate duplicates Z: 102 44.177 1.989 0.714 0.584 0.901 0.644 CB 1.321 103 residues pruned to eliminate duplicates Z: 10 10.388 1.883 0.366 0.838 1.000 0.778 CB 1.006 10 residues pruned to eliminate duplicates Z: 38 28.903 1.973 0.717 0.647 0.973 0.676 CB 1.258 38 residues pruned to eliminate duplicates Z: 39 27.702 1.930 0.760 0.639 0.947 0.763 CB 1.227 39 residues pruned to eliminate duplicates Z: 21 10.942 1.837 0.272 0.491 0.800 0.350 CB 1.320 21 residues pruned to eliminate duplicates Z: 38 22.158 1.948 0.643 0.608 0.892 0.568 CB 1.152 38 residues pruned to eliminate duplicates Z: 38 29.672 1.970 0.762 0.646 0.919 0.649 CB 1.335 38 residues pruned to eliminate duplicates Z: 105 42.678 2.007 0.676 0.577 0.875 0.644 CB 1.320 105 residues pruned to eliminate duplicates Z: 47 27.948 1.931 0.605 0.615 0.935 0.652 CB 1.275 47 residues pruned to eliminate duplicates Z: 56 34.282 1.973 0.774 0.609 0.945 0.636 CB 1.260 56 residues pruned to eliminate duplicates Z: 56 34.553 1.945 0.836 0.620 0.945 0.618 CB 1.232 56 residues pruned to eliminate duplicates Z: 22 7.200 1.616 0.689 0.181 0.762 0.381 CB 1.109 22 residues pruned to eliminate duplicates Z: 25 21.432 1.925 0.610 0.530 0.958 0.500 CB 1.430 25 residues pruned to eliminate duplicates Z: 21 16.446 1.890 0.652 0.518 0.850 0.600 CB 1.362 21 residues pruned to eliminate duplicates Z: 55 31.723 1.962 0.670 0.590 0.944 0.704 CB 1.280 55 residues pruned to eliminate duplicates Z: 44 30.797 1.940 0.814 0.614 0.930 0.628 CB 1.288 44 residues pruned to eliminate duplicates Z: 41 27.415 1.934 0.730 0.616 0.925 0.575 CB 1.255 41 residues pruned to eliminate duplicates Z: 53 29.736 1.924 0.663 0.609 0.885 0.673 CB 1.314 53 residues pruned to eliminate duplicates Z: 16 13.554 1.733 0.888 0.492 0.867 0.400 CB 1.243 16 residues pruned to eliminate duplicates Z: 13 14.218 1.960 0.472 0.667 0.917 0.833 CB 1.330 Z: 6 8.525 1.575 1.326 0.409 1.000 0.800 CB 1.145 6 residues pruned to eliminate duplicates Z: 19 13.672 1.793 0.909 0.454 0.833 0.556 CB 1.183 13 residues pruned to eliminate duplicates Z: 8 5.719 1.722 0.391 0.424 0.857 0.571 CB 1.139 8 residues pruned to eliminate duplicates Z: 13 17.711 1.954 0.846 0.652 0.917 0.917 CB 1.342 18 residues pruned to eliminate duplicates Z: 7 14.745 1.982 0.739 0.643 1.000 0.333 CB 1.529 Z: 7 17.796 1.916 0.969 0.735 1.000 0.667 CB 1.560 7 residues pruned to eliminate duplicates Z: 7 19.538 1.954 0.966 0.785 1.000 0.833 CA 1.617 7 residues pruned to eliminate duplicates Z: 6 10.463 2.008 0.645 0.682 0.800 0.400 CB 1.499 6 residues pruned to eliminate duplicates Z: 14 18.361 1.965 0.603 0.572 0.923 0.385 N 1.634 18 residues pruned to eliminate duplicates Z: 6 2.065 1.645 0.258 0.347 0.800 0.600 CB 0.658 5 residues pruned to eliminate duplicates Z: 6 4.837 1.474 1.029 0.397 0.800 0.400 CB 1.007 Z: 6 10.080 1.813 0.750 0.434 1.000 0.600 CA 1.521 6 residues pruned to eliminate duplicates Z: 23 12.359 1.929 0.551 0.523 0.773 0.636 CB 1.114 23 residues pruned to eliminate duplicates Z: 22 16.278 1.963 0.553 0.467 0.905 0.571 CB 1.331 22 residues pruned to eliminate duplicates Z: 21 16.944 1.980 0.659 0.485 0.900 0.550 CB 1.301 21 residues pruned to eliminate duplicates Z: 27 16.472 1.920 0.758 0.447 0.846 0.538 CB 1.194 27 residues pruned to eliminate duplicates Z: 25 13.251 1.927 0.461 0.461 0.833 0.625 CB 1.200 25 residues pruned to eliminate duplicates Z: 18 20.120 2.041 0.828 0.594 0.941 0.706 CB 1.271 18 residues pruned to eliminate duplicates Z: 51 33.056 2.055 0.740 0.590 0.920 0.620 CB 1.304 51 residues pruned to eliminate duplicates Z: 47 18.256 1.912 0.478 0.462 0.870 0.609 CB 1.139 47 residues pruned to eliminate duplicates Z: 54 29.756 2.034 0.620 0.521 0.906 0.660 CB 1.342 54 residues pruned to eliminate duplicates Z: 40 27.034 2.058 0.711 0.612 0.923 0.744 CB 1.198 40 residues pruned to eliminate duplicates Z: 40 27.488 2.047 0.660 0.593 0.949 0.692 CB 1.249 40 residues pruned to eliminate duplicates Z: 34 30.003 2.033 0.740 0.669 0.909 0.758 CB 1.389 34 residues pruned to eliminate duplicates Z: 40 31.650 2.073 0.766 0.657 0.923 0.692 CB 1.296 40 residues pruned to eliminate duplicates Z: 37 29.172 2.091 0.743 0.652 0.861 0.750 CB 1.345 37 residues pruned to eliminate duplicates Z: 37 31.580 2.076 0.771 0.652 0.917 0.667 CB 1.355 37 residues pruned to eliminate duplicates Z: 57 31.915 2.006 0.681 0.520 0.929 0.643 CB 1.335 61 residues pruned to eliminate duplicates Z: 23 31.840 2.021 0.791 0.863 0.955 0.818 CB 1.441 23 residues pruned to eliminate duplicates Z: 39 28.038 2.052 0.644 0.636 0.921 0.737 CB 1.289 39 residues pruned to eliminate duplicates Z: 39 27.863 2.036 0.634 0.617 0.974 0.763 CB 1.250 39 residues pruned to eliminate duplicates Z: 38 27.280 2.046 0.582 0.648 0.892 0.703 CB 1.353 38 residues pruned to eliminate duplicates Z: 39 30.158 2.095 0.644 0.611 0.921 0.711 CB 1.387 39 residues pruned to eliminate duplicates Z: 37 29.219 2.068 0.664 0.647 0.889 0.639 CB 1.388 37 residues pruned to eliminate duplicates Z: 47 35.563 2.067 0.829 0.628 0.935 0.761 CB 1.316 47 residues pruned to eliminate duplicates Z: 52 31.917 2.054 0.671 0.580 0.902 0.725 CB 1.338 52 residues pruned to eliminate duplicates Z: 71 37.321 2.011 0.751 0.586 0.900 0.629 CB 1.296 71 residues pruned to eliminate duplicates Z: 69 34.096 2.021 0.683 0.491 0.882 0.559 CB 1.389 69 residues pruned to eliminate duplicates Z: 51 33.525 2.025 0.792 0.611 0.880 0.580 CB 1.337 51 residues pruned to eliminate duplicates Z: 57 32.404 2.022 0.725 0.513 0.911 0.571 CB 1.346 57 residues pruned to eliminate duplicates Z: 51 28.482 2.043 0.616 0.591 0.860 0.600 CB 1.300 51 residues pruned to eliminate duplicates Z: 72 33.911 2.031 0.672 0.553 0.887 0.592 CB 1.269 72 residues pruned to eliminate duplicates Z: 19 26.324 2.221 0.726 0.598 0.944 0.667 CB 1.560 18 residues pruned to eliminate duplicates Z: 6 5.994 1.609 1.281 0.342 0.800 0.200 CA 1.085 6 residues pruned to eliminate duplicates Z: 38 38.842 2.174 0.828 0.668 0.892 0.622 CB 1.543 38 residues pruned to eliminate duplicates Z: 40 12.585 1.940 0.464 0.308 0.718 0.385 CB 1.223 40 residues pruned to eliminate duplicates Z: 49 40.982 2.109 0.771 0.615 0.958 0.750 CB 1.482 49 residues pruned to eliminate duplicates Z: 49 33.354 2.105 0.635 0.573 0.917 0.646 CB 1.421 49 residues pruned to eliminate duplicates Z: 47 28.746 2.028 0.654 0.642 0.891 0.674 CB 1.242 47 residues pruned to eliminate duplicates Z: 53 40.304 2.113 0.709 0.599 0.942 0.692 CB 1.495 53 residues pruned to eliminate duplicates Z: 38 36.118 2.149 0.784 0.704 0.919 0.649 CB 1.401 38 residues pruned to eliminate duplicates Z: 19 25.017 2.206 0.640 0.546 1.000 0.500 CB 1.557 19 residues pruned to eliminate duplicates Z: 51 48.177 2.147 0.811 0.689 0.980 0.660 CB 1.505 52 residues pruned to eliminate duplicates Z: 19 32.407 2.251 0.760 0.730 0.944 0.722 CB 1.660 19 residues pruned to eliminate duplicates Z: 37 41.637 2.203 0.705 0.713 0.944 0.750 CB 1.613 37 residues pruned to eliminate duplicates Z: 53 44.148 2.075 0.871 0.633 0.923 0.615 CB 1.509 53 residues pruned to eliminate duplicates Z: 38 43.155 2.178 0.803 0.676 1.000 0.703 CB 1.536 38 residues pruned to eliminate duplicates Z: 23 35.681 2.258 0.844 0.662 1.000 0.682 CB 1.573 23 residues pruned to eliminate duplicates Z: 34 39.614 2.206 0.775 0.662 0.970 0.667 CB 1.563 34 residues pruned to eliminate duplicates Z: 9 18.596 2.134 0.700 0.786 1.000 0.875 CB 1.409 9 residues pruned to eliminate duplicates Z: 51 46.476 2.139 0.775 0.679 1.000 0.660 CB 1.469 51 residues pruned to eliminate duplicates Z: 19 32.282 2.284 0.941 0.737 0.833 0.611 CB 1.665 19 residues pruned to eliminate duplicates Z: 38 44.862 2.195 0.827 0.708 0.973 0.730 CB 1.565 38 residues pruned to eliminate duplicates Z: 64 42.123 2.058 0.879 0.597 0.905 0.667 CB 1.383 64 residues pruned to eliminate duplicates Z: 36 43.513 2.199 0.906 0.687 0.971 0.714 CB 1.522 36 residues pruned to eliminate duplicates Z: 43 50.255 2.169 0.887 0.735 0.976 0.738 CB 1.572 43 residues pruned to eliminate duplicates Z: 38 48.438 2.213 0.956 0.709 1.000 0.676 CB 1.522 38 residues pruned to eliminate duplicates Z: 38 49.363 2.199 0.927 0.702 1.000 0.676 CB 1.592 38 residues pruned to eliminate duplicates Z: 44 44.796 2.133 0.834 0.688 0.977 0.674 CB 1.505 44 residues pruned to eliminate duplicates Z: 53 42.494 2.115 0.788 0.620 0.981 0.635 CB 1.418 53 residues pruned to eliminate duplicates Z: 50 45.900 2.159 0.851 0.656 0.959 0.653 CB 1.480 50 residues pruned to eliminate duplicates Z: 51 38.982 2.034 0.949 0.587 0.960 0.600 CB 1.332 51 residues pruned to eliminate duplicates Z: 44 48.495 2.141 0.944 0.690 1.000 0.605 CB 1.494 43 residues pruned to eliminate duplicates Z: 17 34.322 2.070 0.972 0.929 1.000 0.562 CB 1.470 17 residues pruned to eliminate duplicates Z: 46 47.215 2.080 0.993 0.689 0.956 0.711 CB 1.494 46 residues pruned to eliminate duplicates Z: 51 50.449 2.151 0.908 0.668 0.960 0.600 CB 1.549 51 residues pruned to eliminate duplicates Z: 43 47.682 2.165 0.980 0.696 0.976 0.667 CB 1.470 43 residues pruned to eliminate duplicates Z: 51 47.444 2.140 0.980 0.634 0.940 0.640 CB 1.486 51 residues pruned to eliminate duplicates Z: 53 49.234 2.127 0.918 0.662 0.981 0.712 CB 1.469 53 residues pruned to eliminate duplicates Z: 65 52.317 2.092 0.873 0.658 0.953 0.609 CB 1.512 84 residues pruned to eliminate duplicates Z: 20 31.502 2.024 1.031 0.792 1.000 0.632 CB 1.361 20 residues pruned to eliminate duplicates Z: 51 50.804 2.155 0.991 0.675 0.960 0.660 CB 1.484 51 residues pruned to eliminate duplicates Z: 39 42.348 2.076 1.003 0.684 0.974 0.684 CB 1.433 39 residues pruned to eliminate duplicates Z: 52 46.880 2.129 0.889 0.659 0.980 0.706 CB 1.436 52 residues pruned to eliminate duplicates Z: 36 36.241 2.017 1.026 0.665 0.914 0.629 CB 1.408 36 residues pruned to eliminate duplicates Z: 13 12.860 1.964 0.681 0.451 1.000 0.500 CB 1.183 13 residues pruned to eliminate duplicates Z: 52 49.414 2.149 0.872 0.674 0.980 0.765 CB 1.494 52 residues pruned to eliminate duplicates Z: 51 53.148 2.152 1.016 0.686 0.980 0.680 CB 1.490 51 residues pruned to eliminate duplicates Z: 55 41.965 2.077 0.965 0.634 0.926 0.593 CB 1.333 55 residues pruned to eliminate duplicates Z: 51 41.635 2.029 0.929 0.614 0.920 0.620 CB 1.468 51 residues pruned to eliminate duplicates Z: 54 49.911 2.110 0.883 0.665 0.962 0.679 CB 1.539 54 residues pruned to eliminate duplicates Z: 11 14.903 2.041 0.756 0.677 0.800 0.500 CB 1.396 Z: 11 25.339 1.960 0.877 0.874 1.000 0.900 CB 1.586 11 residues pruned to eliminate duplicates Z: 11 21.056 1.843 0.578 0.883 1.000 0.900 CA 1.656 11 residues pruned to eliminate duplicates Z: 12 16.821 2.018 0.642 0.698 1.000 0.727 CB 1.277 12 residues pruned to eliminate duplicates Z: 19 12.742 1.943 0.493 0.570 0.833 0.556 CB 1.161 19 residues pruned to eliminate duplicates Z: 11 14.301 2.096 0.679 0.619 0.800 0.600 CB 1.435 11 residues pruned to eliminate duplicates Z: 13 13.810 1.948 0.582 0.554 0.833 0.667 CB 1.472 13 residues pruned to eliminate duplicates Z: 14 11.254 2.043 0.584 0.561 0.769 0.462 CB 1.182 14 residues pruned to eliminate duplicates Z: 19 12.763 1.952 0.471 0.538 0.778 0.556 CB 1.298 19 residues pruned to eliminate duplicates Z: 25 13.677 1.991 0.420 0.562 0.792 0.583 CB 1.175 36 residues pruned to eliminate duplicates Z: 31 20.141 1.952 0.572 0.586 0.833 0.700 CB 1.324 31 residues pruned to eliminate duplicates Z: 13 6.811 1.755 0.740 0.340 0.667 0.333 CB 1.150 13 residues pruned to eliminate duplicates Z: 47 20.381 1.991 0.611 0.393 0.891 0.522 CB 1.177 47 residues pruned to eliminate duplicates Z: 17 14.951 1.947 0.757 0.506 0.875 0.688 CB 1.241 Z: 8 3.162 1.563 0.539 0.409 0.714 0.714 CB 0.765 8 residues pruned to eliminate duplicates Z: 19 16.561 1.973 0.589 0.623 0.889 0.833 CB 1.247 36 residues pruned to eliminate duplicates Z: 44 23.560 2.008 0.750 0.426 0.930 0.628 CB 1.187 44 residues pruned to eliminate duplicates Z: 18 16.180 1.980 0.422 0.634 1.000 0.882 CB 1.229 18 residues pruned to eliminate duplicates Z: 16 23.103 2.149 0.592 0.685 1.000 0.867 CB 1.471 16 residues pruned to eliminate duplicates Z: 19 19.260 2.052 0.515 0.695 1.000 0.889 CB 1.223 19 residues pruned to eliminate duplicates Z: 20 13.169 1.980 0.674 0.550 0.737 0.737 CB 1.178 20 residues pruned to eliminate duplicates Z: 32 23.749 2.059 0.731 0.527 0.903 0.742 CB 1.290 32 residues pruned to eliminate duplicates Z: 20 20.508 2.042 0.648 0.689 1.000 0.842 CB 1.176 20 residues pruned to eliminate duplicates Z: 22 19.321 2.022 0.676 0.542 0.905 0.619 CB 1.319 22 residues pruned to eliminate duplicates Z: 30 25.416 2.075 0.717 0.514 0.966 0.655 CB 1.353 30 residues pruned to eliminate duplicates Z: 32 26.434 2.023 0.603 0.472 0.935 0.581 CB 1.611 32 residues pruned to eliminate duplicates Z: 31 16.319 2.006 0.611 0.360 0.900 0.567 CB 1.191 31 residues pruned to eliminate duplicates Z: 61 35.938 2.091 0.788 0.473 0.900 0.683 CB 1.418 61 residues pruned to eliminate duplicates Z: 29 16.075 2.016 0.646 0.340 0.893 0.571 CB 1.221 29 residues pruned to eliminate duplicates Z: 45 23.871 2.024 0.602 0.425 0.977 0.705 CB 1.227 45 residues pruned to eliminate duplicates Z: 64 35.343 2.087 0.679 0.487 0.889 0.730 CB 1.449 64 residues pruned to eliminate duplicates Z: 43 26.241 2.068 0.706 0.426 0.905 0.714 CB 1.371 43 residues pruned to eliminate duplicates Z: 96 46.614 2.084 0.731 0.526 0.916 0.705 CB 1.411 96 residues pruned to eliminate duplicates Z: 16 16.240 2.084 0.752 0.355 0.933 0.533 CB 1.438 16 residues pruned to eliminate duplicates Z: 42 22.275 2.076 0.719 0.427 0.854 0.634 CB 1.231 42 residues pruned to eliminate duplicates Z: 30 27.856 2.085 0.796 0.474 1.000 0.759 CB 1.417 30 residues pruned to eliminate duplicates Z: 17 15.371 1.978 0.771 0.376 0.875 0.688 CB 1.431 17 residues pruned to eliminate duplicates Z: 59 31.731 2.072 0.668 0.439 0.897 0.638 CB 1.433 59 residues pruned to eliminate duplicates Z: 70 37.456 2.086 0.683 0.504 0.884 0.681 CB 1.447 70 residues pruned to eliminate duplicates Z: 55 27.074 2.028 0.687 0.459 0.889 0.593 CB 1.264 55 residues pruned to eliminate duplicates Z: 41 26.221 2.077 0.854 0.438 0.875 0.650 CB 1.311 41 residues pruned to eliminate duplicates Z: 43 27.460 2.074 0.796 0.418 0.929 0.714 CB 1.334 43 residues pruned to eliminate duplicates Z: 27 21.299 2.092 0.806 0.353 0.962 0.577 CB 1.347 27 residues pruned to eliminate duplicates Z: 27 19.695 2.020 0.866 0.361 0.923 0.577 CB 1.289 27 residues pruned to eliminate duplicates Z: 57 30.345 2.047 0.806 0.378 0.875 0.571 CB 1.428 57 residues pruned to eliminate duplicates Z: 67 36.216 2.087 0.744 0.476 0.894 0.621 CB 1.404 67 residues pruned to eliminate duplicates Z: 42 26.548 2.062 0.732 0.407 0.951 0.634 CB 1.345 42 residues pruned to eliminate duplicates Z: 43 29.085 2.096 0.800 0.427 0.952 0.643 CB 1.346 43 residues pruned to eliminate duplicates Z: 32 24.189 1.953 0.877 0.475 0.903 0.484 CB 1.346 32 residues pruned to eliminate duplicates Z: 153 68.871 2.091 0.845 0.567 0.921 0.632 CB 1.473 153 residues pruned to eliminate duplicates Z: 7 20.241 2.272 0.767 0.660 1.000 0.667 CB 1.775 7 residues pruned to eliminate duplicates Z: 54 35.366 2.135 0.669 0.589 0.906 0.642 CB 1.382 54 residues pruned to eliminate duplicates Z: 85 42.352 2.114 0.699 0.522 0.905 0.655 CB 1.392 85 residues pruned to eliminate duplicates Z: 64 36.870 2.115 0.756 0.489 0.905 0.619 CB 1.398 64 residues pruned to eliminate duplicates Z: 64 33.762 2.113 0.707 0.479 0.889 0.619 CB 1.355 64 residues pruned to eliminate duplicates Z: 31 19.336 2.062 0.678 0.380 0.867 0.467 CB 1.338 31 residues pruned to eliminate duplicates Z: 85 44.237 2.132 0.634 0.552 0.905 0.726 CB 1.456 85 residues pruned to eliminate duplicates Z: 97 46.260 2.106 0.702 0.546 0.896 0.677 CB 1.406 97 residues pruned to eliminate duplicates Z: 26 17.079 2.092 0.612 0.433 0.840 0.520 CB 1.292 26 residues pruned to eliminate duplicates Z: 22 20.635 2.097 0.746 0.455 0.952 0.571 CB 1.353 22 residues pruned to eliminate duplicates Z: 21 20.660 2.114 0.870 0.453 0.850 0.600 CB 1.442 21 residues pruned to eliminate duplicates Z: 51 31.590 2.094 0.754 0.453 0.920 0.540 CB 1.387 51 residues pruned to eliminate duplicates Z: 61 29.651 2.082 0.739 0.439 0.883 0.633 CB 1.274 61 residues pruned to eliminate duplicates Z: 61 32.059 2.090 0.698 0.450 0.900 0.650 CB 1.363 61 residues pruned to eliminate duplicates Z: 95 42.689 2.091 0.679 0.507 0.894 0.691 CB 1.394 95 residues pruned to eliminate duplicates Z: 64 35.432 2.125 0.628 0.465 0.905 0.651 CB 1.478 64 residues pruned to eliminate duplicates Z: 68 40.228 2.142 0.713 0.514 0.896 0.657 CB 1.475 68 residues pruned to eliminate duplicates Z: 98 49.863 2.112 0.749 0.561 0.928 0.639 CB 1.392 98 residues pruned to eliminate duplicates Z: 49 29.318 2.103 0.662 0.467 0.854 0.625 CB 1.466 49 residues pruned to eliminate duplicates Z: 76 40.040 2.114 0.706 0.536 0.907 0.640 CB 1.365 76 residues pruned to eliminate duplicates Z: 52 39.590 2.129 0.742 0.590 0.941 0.784 CB 1.457 52 residues pruned to eliminate duplicates Z: 86 44.006 2.133 0.695 0.526 0.906 0.671 CB 1.421 86 residues pruned to eliminate duplicates Z: 43 44.083 2.189 0.701 0.648 1.000 0.762 CB 1.591 43 residues pruned to eliminate duplicates Z: 122 54.834 2.106 0.717 0.532 0.917 0.595 CB 1.455 122 residues pruned to eliminate duplicates Z: 45 42.284 2.156 0.736 0.639 0.955 0.659 CB 1.567 45 residues pruned to eliminate duplicates Z: 31 26.376 2.150 0.634 0.555 0.867 0.567 CB 1.500 31 residues pruned to eliminate duplicates Z: 37 36.546 2.116 0.748 0.611 0.917 0.667 CB 1.616 37 residues pruned to eliminate duplicates Z: 44 41.429 2.200 0.681 0.638 0.930 0.721 CB 1.614 44 residues pruned to eliminate duplicates Z: 47 38.223 2.132 0.744 0.575 0.913 0.630 CB 1.544 47 residues pruned to eliminate duplicates Z: 85 45.294 2.132 0.689 0.520 0.940 0.643 CB 1.431 85 residues pruned to eliminate duplicates Z: 38 39.230 2.106 0.938 0.624 0.946 0.595 CB 1.486 38 residues pruned to eliminate duplicates Z: 20 32.802 2.228 0.999 0.736 0.947 0.789 CB 1.442 20 residues pruned to eliminate duplicates Z: 88 43.368 2.114 0.784 0.521 0.885 0.655 CB 1.364 88 residues pruned to eliminate duplicates Z: 85 50.202 2.143 0.824 0.541 0.929 0.667 CB 1.450 85 residues pruned to eliminate duplicates Z: 47 35.997 2.109 0.730 0.590 0.913 0.543 CB 1.462 47 residues pruned to eliminate duplicates Z: 58 36.781 2.132 0.709 0.566 0.930 0.649 CB 1.349 58 residues pruned to eliminate duplicates Z: 87 43.448 2.109 0.781 0.515 0.872 0.628 CB 1.409 87 residues pruned to eliminate duplicates Z: 86 43.848 2.125 0.769 0.510 0.894 0.624 CB 1.400 86 residues pruned to eliminate duplicates Z: 121 52.271 2.099 0.786 0.535 0.875 0.650 CB 1.405 121 residues pruned to eliminate duplicates Z: 20 30.258 2.124 0.952 0.651 0.895 0.632 CB 1.625 20 residues pruned to eliminate duplicates Z: 54 35.992 2.139 0.730 0.556 0.925 0.642 CB 1.369 54 residues pruned to eliminate duplicates Z: 47 40.263 2.160 0.748 0.620 0.957 0.761 CB 1.467 47 residues pruned to eliminate duplicates Z: 100 50.325 2.124 0.715 0.497 0.909 0.606 CB 1.532 100 residues pruned to eliminate duplicates Z: 23 28.381 2.119 1.056 0.636 0.864 0.727 CB 1.416 23 residues pruned to eliminate duplicates Z: 61 46.672 2.130 0.849 0.601 0.917 0.567 CB 1.515 61 residues pruned to eliminate duplicates Z: 124 52.835 2.091 0.723 0.505 0.927 0.675 CB 1.419 124 residues pruned to eliminate duplicates Z: 59 44.029 2.094 0.729 0.665 0.931 0.724 CB 1.472 37 residues pruned to eliminate duplicates Z: 12 27.546 2.060 0.925 0.827 1.000 0.273 CB 1.578 12 residues pruned to eliminate duplicates Z: 123 52.799 2.110 0.762 0.506 0.910 0.623 CB 1.404 123 residues pruned to eliminate duplicates Z: 17 27.349 2.060 0.903 0.590 0.938 0.562 CB 1.707 17 residues pruned to eliminate duplicates Z: 38 30.084 2.081 0.719 0.518 0.865 0.649 CB 1.570 38 residues pruned to eliminate duplicates Z: 66 40.554 2.118 0.781 0.573 0.877 0.554 CB 1.417 66 residues pruned to eliminate duplicates Z: 34 35.572 2.152 0.874 0.530 0.909 0.636 CB 1.640 34 residues pruned to eliminate duplicates Z: 38 30.929 2.060 0.808 0.509 0.838 0.514 CB 1.616 38 residues pruned to eliminate duplicates Z: 38 32.888 2.042 0.768 0.559 0.946 0.568 CB 1.495 38 residues pruned to eliminate duplicates Z: 37 28.962 2.082 0.659 0.547 0.861 0.583 CB 1.551 37 residues pruned to eliminate duplicates Z: 23 18.657 2.028 0.637 0.409 0.864 0.591 CB 1.527 23 residues pruned to eliminate duplicates Z: 20 25.398 2.041 0.998 0.590 0.842 0.579 CB 1.557 20 residues pruned to eliminate duplicates Z: 116 52.234 2.107 0.828 0.499 0.878 0.600 CB 1.441 116 residues pruned to eliminate duplicates Z: 51 40.798 2.135 0.909 0.550 0.880 0.640 CB 1.532 51 residues pruned to eliminate duplicates Z: 170 72.793 2.124 0.832 0.564 0.929 0.663 CB 1.457 170 residues pruned to eliminate duplicates Z: 75 51.963 2.150 0.865 0.582 0.905 0.689 CB 1.538 75 residues pruned to eliminate duplicates Z: 39 33.456 2.069 0.750 0.516 0.895 0.553 CB 1.649 39 residues pruned to eliminate duplicates Z: 37 34.877 2.069 0.870 0.538 0.861 0.472 CB 1.681 37 residues pruned to eliminate duplicates Z: 16 15.941 2.036 0.729 0.416 0.800 0.533 CB 1.595 Z: 8 8.213 1.809 0.747 0.402 0.857 0.571 CA 1.271 9 residues pruned to eliminate duplicates Z: 7 7.941 1.540 1.376 0.541 1.000 1.000 CA 0.852 7 residues pruned to eliminate duplicates Z: 34 34.413 2.083 0.854 0.558 0.879 0.697 CB 1.669 49 residues pruned to eliminate duplicates Z: 36 25.231 2.034 0.792 0.565 0.743 0.600 CB 1.479 36 residues pruned to eliminate duplicates Z: 32 33.154 2.090 0.847 0.537 0.903 0.581 CB 1.648 32 residues pruned to eliminate duplicates Z: 122 60.713 2.140 0.877 0.541 0.917 0.636 CB 1.439 122 residues pruned to eliminate duplicates Z: 15 15.057 2.006 0.593 0.477 0.786 0.500 CB 1.640 Z: 6 3.037 1.751 0.553 0.468 0.400 0.400 CB 1.290 6 residues pruned to eliminate duplicates Z: 6 5.380 1.843 0.796 0.748 0.400 0.400 N 1.456 7 residues pruned to eliminate duplicates Z: 7 7.099 1.773 0.588 0.666 0.667 0.333 N 1.324 7 residues pruned to eliminate duplicates Z: 20 20.365 2.016 0.784 0.532 0.895 0.632 CB 1.408 16 residues pruned to eliminate duplicates Z: 9 10.994 1.775 0.519 0.457 1.000 0.250 CB 1.507 9 residues pruned to eliminate duplicates Z: 13 16.664 2.008 0.552 0.499 1.000 0.583 CB 1.545 13 residues pruned to eliminate duplicates Z: 23 19.417 1.958 0.808 0.533 0.864 0.591 CB 1.311 22 residues pruned to eliminate duplicates Z: 6 2.120 1.291 0.667 0.251 0.800 0.200 CA 0.733 Z: 6 4.375 1.568 0.595 0.436 0.800 0.800 CB 1.045 12 residues pruned to eliminate duplicates Z: 55 30.427 2.022 0.743 0.539 0.889 0.593 CB 1.272 55 residues pruned to eliminate duplicates Z: 27 21.575 1.837 0.817 0.478 0.923 0.538 CB 1.405 69 residues pruned to eliminate duplicates Z: 6 10.814 1.665 1.044 0.640 1.000 0.600 CB 1.246 6 residues pruned to eliminate duplicates Z: 18 15.828 1.960 0.949 0.411 0.882 0.588 CB 1.251 18 residues pruned to eliminate duplicates Z: 18 16.485 1.983 0.945 0.424 0.941 0.647 CB 1.192 18 residues pruned to eliminate duplicates Z: 16 14.094 1.949 0.812 0.440 0.867 0.600 CB 1.264 16 residues pruned to eliminate duplicates Z: 20 10.143 1.891 0.794 0.387 0.737 0.421 CB 1.049 20 residues pruned to eliminate duplicates Z: 20 14.697 1.928 0.796 0.371 0.947 0.474 CB 1.180 20 residues pruned to eliminate duplicates Z: 23 13.973 1.927 0.662 0.360 0.909 0.545 CB 1.189 23 residues pruned to eliminate duplicates Z: 23 12.613 1.870 0.622 0.366 0.909 0.545 CB 1.126 23 residues pruned to eliminate duplicates Z: 22 16.971 1.942 0.853 0.387 0.952 0.619 CB 1.219 22 residues pruned to eliminate duplicates Z: 22 12.526 1.928 0.660 0.348 0.857 0.524 CB 1.176 22 residues pruned to eliminate duplicates Z: 55 29.448 2.002 0.627 0.535 0.907 0.611 CB 1.310 55 residues pruned to eliminate duplicates Z: 52 29.343 2.040 0.638 0.528 0.902 0.608 CB 1.327 52 residues pruned to eliminate duplicates Z: 39 28.808 2.058 0.756 0.574 0.947 0.632 CB 1.271 39 residues pruned to eliminate duplicates Z: 28 17.400 1.888 0.727 0.389 0.852 0.593 CB 1.356 28 residues pruned to eliminate duplicates Z: 55 29.197 2.039 0.667 0.498 0.870 0.556 CB 1.346 55 residues pruned to eliminate duplicates Z: 42 24.703 2.024 0.679 0.501 0.902 0.610 CB 1.257 42 residues pruned to eliminate duplicates Z: 53 28.703 2.007 0.749 0.541 0.904 0.635 CB 1.205 53 residues pruned to eliminate duplicates Z: 55 29.198 2.010 0.719 0.539 0.907 0.667 CB 1.220 55 residues pruned to eliminate duplicates Z: 54 25.272 1.978 0.641 0.511 0.849 0.604 CB 1.247 54 residues pruned to eliminate duplicates Z: 54 32.361 2.019 0.720 0.551 0.925 0.547 CB 1.317 54 residues pruned to eliminate duplicates Z: 53 30.145 2.027 0.785 0.508 0.923 0.615 CB 1.242 53 residues pruned to eliminate duplicates Z: 56 25.455 1.991 0.604 0.530 0.873 0.636 CB 1.196 56 residues pruned to eliminate duplicates Z: 50 31.766 2.055 0.741 0.569 0.918 0.531 CB 1.292 50 residues pruned to eliminate duplicates Z: 41 26.868 2.021 0.716 0.582 0.875 0.600 CB 1.294 41 residues pruned to eliminate duplicates Z: 45 29.979 2.061 0.676 0.578 0.932 0.614 CB 1.303 45 residues pruned to eliminate duplicates Z: 37 22.484 2.004 0.641 0.493 0.833 0.500 CB 1.377 37 residues pruned to eliminate duplicates Z: 55 31.405 2.035 0.680 0.546 0.926 0.741 CB 1.291 55 residues pruned to eliminate duplicates Z: 54 32.631 2.040 0.732 0.561 0.925 0.623 CB 1.293 54 residues pruned to eliminate duplicates Z: 37 24.051 2.067 0.584 0.588 0.861 0.556 CB 1.306 37 residues pruned to eliminate duplicates Z: 54 33.027 2.059 0.690 0.574 0.925 0.698 CB 1.314 54 residues pruned to eliminate duplicates Z: 55 30.066 2.013 0.662 0.552 0.889 0.667 CB 1.308 55 residues pruned to eliminate duplicates Z: 163 57.891 2.034 0.784 0.501 0.889 0.568 CB 1.409 163 residues pruned to eliminate duplicates Z: 56 26.674 2.019 0.637 0.505 0.873 0.564 CB 1.241 56 residues pruned to eliminate duplicates Z: 38 30.129 2.084 0.741 0.640 0.892 0.622 CB 1.343 38 residues pruned to eliminate duplicates Z: 39 25.432 2.043 0.643 0.647 0.842 0.605 CB 1.273 39 residues pruned to eliminate duplicates Z: 53 30.159 2.033 0.745 0.525 0.865 0.538 CB 1.328 53 residues pruned to eliminate duplicates Z: 55 34.231 2.044 0.746 0.560 0.963 0.630 CB 1.278 55 residues pruned to eliminate duplicates Z: 55 34.041 2.033 0.795 0.538 0.926 0.556 CB 1.320 55 residues pruned to eliminate duplicates Z: 54 34.282 2.055 0.716 0.563 0.943 0.623 CB 1.330 55 residues pruned to eliminate duplicates Z: 6 4.282 1.623 0.402 0.389 0.800 0.400 N 1.184 6 residues pruned to eliminate duplicates Z: 37 32.280 2.098 0.752 0.634 0.917 0.639 CB 1.408 37 residues pruned to eliminate duplicates Z: 96 44.648 2.034 0.750 0.515 0.916 0.611 CB 1.385 96 residues pruned to eliminate duplicates Z: 38 30.188 2.078 0.725 0.596 0.919 0.676 CB 1.375 38 residues pruned to eliminate duplicates Z: 45 34.673 2.070 0.702 0.567 1.000 0.614 CB 1.390 45 residues pruned to eliminate duplicates Z: 55 36.792 2.049 0.781 0.547 0.963 0.667 CB 1.361 54 residues pruned to eliminate duplicates 453 residues left after pruning, divided into chains as follows: A: 11 B: 218 C: 224 CC for partial structure against native data = 41.36 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.675, Connect. = 0.751 for dens.mod. cycle 1 = 0.300, Contrast = 0.785, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.924, Connect. = 0.798 for dens.mod. cycle 3 = 0.300, Contrast = 0.952, Connect. = 0.800 for dens.mod. cycle 4 = 0.300, Contrast = 0.970, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.976, Connect. = 0.801 for dens.mod. cycle 6 = 0.300, Contrast = 0.979, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.979, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.979, Connect. = 0.802 for dens.mod. cycle 9 = 0.300, Contrast = 0.977, Connect. = 0.802 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 5.52 - 4.35 - 3.78 - 3.42 - 3.17 - 2.98 - 2.83 - 2.70 - 2.60 - 2.51 0.763 0.810 0.791 0.772 0.741 0.711 0.695 0.689 0.688 0.643 0.871 0.932 0.910 0.878 0.861 0.834 0.828 0.827 0.818 0.773 N 3516 3507 3548 3584 3523 3504 3476 3645 3341 3460 Estimated mean FOM = 0.731 Pseudo-free CC = 75.15 % Best trace (cycle 1 with CC 44.52%) was saved as ./2avn-2.5-parrot-noncs/2avn-2.5-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 1.2 - Setup, data input and phasing 10.5 - FFTs and peak-searches 19.2 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 470.3 - Tripeptide search 10474.6 - Chain tracing 0.0 - NCS analysis 47.6 - B-value refinement for trace 0.5 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 04:44:16 Total time: 11024.29 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 184.64 Used memory is bytes: 20402920