null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 00:15:52 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: ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.ins Phases from ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phi Native data from ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.hkl Listing output to ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.lst Phases output to ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phs Poly-Ala trace output to ./2p7i-1.7-parrot-noncs/2p7i-1.7-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: I 4 2 2 Allowed origin shift code: 10 56831 Reflections read from file ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.phi 56831 Reflections read from file ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.hkl 56831 Unique data, highest resolution = 1.740 Angstroms Anisotropic scaling: intensities multiplied by 0.000038h^2 +0.000038k^2 -0.000037l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.940 and 0 in range 1.940 > d > 1.740 added Density sharpening factor set to 1.14 Fourier grid = 256 x 256 x 66 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.656 = 0.300, Contrast = 0.530, Connect. = 0.774 for dens.mod. cycle 1 = 0.300, Contrast = 0.625, Connect. = 0.784 for dens.mod. cycle 2 = 0.300, Contrast = 0.740, Connect. = 0.800 for dens.mod. cycle 3 = 0.300, Contrast = 0.768, Connect. = 0.805 for dens.mod. cycle 4 = 0.300, Contrast = 0.782, Connect. = 0.809 for dens.mod. cycle 5 = 0.300, Contrast = 0.791, Connect. = 0.811 for dens.mod. cycle 6 = 0.300, Contrast = 0.796, Connect. = 0.813 for dens.mod. cycle 7 = 0.300, Contrast = 0.800, Connect. = 0.814 for dens.mod. cycle 8 = 0.300, Contrast = 0.803, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.805, Connect. = 0.815 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1863 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 495 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 16 42.056 2.114 1.095 0.886 1.000 0.733 CA 1.769 B: 12 34.549 2.358 0.716 0.856 1.000 0.727 CA 1.899 C: 11 31.716 2.385 0.645 0.881 1.000 0.900 CA 1.851 11 residues pruned to eliminate duplicates D: 10 20.650 1.996 0.655 0.856 1.000 0.667 CB 1.537 E: 10 26.077 2.569 0.196 0.920 1.000 1.000 CB 1.992 10 residues pruned to eliminate duplicates F: 14 35.706 2.119 1.105 0.853 1.000 0.846 CA 1.641 G: 14 30.071 2.194 0.990 0.827 1.000 0.615 CB 1.440 H: 15 35.221 2.090 1.128 0.891 0.929 0.571 CA 1.639 15 residues pruned to eliminate duplicates I: 13 23.750 2.173 0.571 0.854 1.000 0.917 CB 1.483 13 residues pruned to eliminate duplicates J: 70 65.949 2.428 1.162 0.483 0.899 0.638 CB 1.713 36 residues pruned to eliminate duplicates K: 11 18.618 2.019 0.399 0.878 1.000 0.900 CA 1.512 L: 8 17.513 2.198 0.666 0.860 0.857 0.857 CB 1.551 8 residues pruned to eliminate duplicates M: 15 27.428 2.200 0.615 0.832 1.000 0.786 CB 1.549 15 residues pruned to eliminate duplicates N: 15 31.704 2.227 1.090 0.937 1.000 0.714 CB 1.267 O: 27 49.044 2.332 1.146 0.599 0.962 0.500 CB 1.818 24 residues pruned to eliminate duplicates P: 14 25.275 2.136 0.654 0.881 0.923 0.846 CB 1.556 14 residues pruned to eliminate duplicates Q: 31 41.950 2.263 1.159 0.625 0.933 0.467 CB 1.494 16 residues pruned to eliminate duplicates R: 13 41.955 2.339 0.921 0.931 1.000 1.000 CB 1.884 13 residues pruned to eliminate duplicates S: 16 19.323 1.861 0.653 0.803 0.933 0.800 CB 1.334 11 residues pruned to eliminate duplicates T: 16 28.540 2.167 0.683 0.862 1.000 0.400 CB 1.483 U: 14 33.471 2.347 0.975 0.922 1.000 0.846 CB 1.408 14 residues pruned to eliminate duplicates V: 13 44.320 2.335 1.170 0.920 1.000 0.750 CB 1.778 14 residues pruned to eliminate duplicates W: 16 31.096 2.129 1.123 0.902 1.000 0.400 CB 1.267 16 residues pruned to eliminate duplicates X: 92 64.171 2.335 1.015 0.448 0.912 0.560 CB 1.654 74 residues pruned to eliminate duplicates Y: 16 30.507 2.148 0.959 0.916 1.000 0.800 CB 1.322 16 residues pruned to eliminate duplicates Z: 30 45.260 2.304 1.186 0.656 0.966 0.621 CB 1.495 31 residues pruned to eliminate duplicates Z: 18 26.603 2.196 0.523 0.806 1.000 0.765 CB 1.477 15 residues pruned to eliminate duplicates Z: 9 39.993 2.605 0.847 0.912 1.000 1.000 CB 2.082 9 residues pruned to eliminate duplicates Z: 16 25.650 2.305 1.198 0.839 0.867 0.467 CB 1.126 16 residues pruned to eliminate duplicates Z: 19 26.060 2.104 0.637 0.824 0.944 0.444 CB 1.426 19 residues pruned to eliminate duplicates Z: 15 30.853 2.063 1.104 0.849 1.000 0.786 CB 1.408 15 residues pruned to eliminate duplicates Z: 37 30.515 2.195 0.890 0.536 0.944 0.694 CB 1.253 Z: 11 40.790 2.422 1.033 0.932 1.000 0.900 CB 1.829 11 residues pruned to eliminate duplicates Z: 14 25.302 2.061 0.847 0.850 1.000 0.769 CA 1.365 14 residues pruned to eliminate duplicates Z: 17 29.235 2.042 0.916 0.883 1.000 0.750 CB 1.351 19 residues pruned to eliminate duplicates Z: 14 41.956 2.245 1.282 0.903 1.000 0.923 CA 1.619 Z: 30 25.190 2.199 0.550 0.595 0.862 0.552 CB 1.454 16 residues pruned to eliminate duplicates Z: 6 5.933 1.868 0.572 0.820 0.600 0.400 CA 1.141 6 residues pruned to eliminate duplicates Z: 11 19.415 2.068 0.454 0.887 0.900 0.900 CA 1.636 11 residues pruned to eliminate duplicates Z: 8 10.620 1.909 1.153 0.586 0.714 0.429 CA 1.259 8 residues pruned to eliminate duplicates Z: 13 40.893 2.294 1.092 0.890 1.000 0.750 CB 1.770 14 residues pruned to eliminate duplicates Z: 17 24.435 2.291 0.885 0.564 0.875 0.625 CB 1.520 17 residues pruned to eliminate duplicates Z: 14 35.293 2.123 1.079 0.908 1.000 0.846 CB 1.575 14 residues pruned to eliminate duplicates Z: 13 30.236 2.142 0.922 0.865 0.917 0.917 CA 1.694 13 residues pruned to eliminate duplicates Z: 18 30.993 2.117 0.878 0.784 0.882 0.471 CB 1.669 Z: 14 34.580 2.226 1.186 0.868 0.923 0.846 CA 1.561 14 residues pruned to eliminate duplicates Z: 14 27.877 2.123 0.683 0.875 1.000 0.692 CB 1.574 14 residues pruned to eliminate duplicates Z: 14 38.834 2.234 0.956 0.887 1.000 0.846 CB 1.778 13 residues pruned to eliminate duplicates Z: 17 29.610 2.125 0.663 0.844 0.938 0.562 CB 1.662 18 residues pruned to eliminate duplicates Z: 18 26.313 2.197 0.557 0.847 0.882 0.706 CB 1.570 18 residues pruned to eliminate duplicates Z: 11 17.297 2.294 0.773 0.434 0.900 0.600 CB 1.599 Z: 14 36.014 2.200 1.013 0.915 1.000 0.923 CB 1.594 14 residues pruned to eliminate duplicates Z: 19 27.697 2.107 0.531 0.783 0.944 0.500 CB 1.670 19 residues pruned to eliminate duplicates Z: 18 24.360 2.158 0.570 0.799 0.941 0.824 CB 1.427 18 residues pruned to eliminate duplicates Z: 14 37.926 2.269 0.824 0.921 1.000 0.846 CB 1.789 14 residues pruned to eliminate duplicates Z: 30 43.641 2.284 1.156 0.639 0.966 0.621 CB 1.497 30 residues pruned to eliminate duplicates Z: 28 45.049 2.352 1.245 0.663 0.963 0.519 CB 1.466 28 residues pruned to eliminate duplicates Z: 45 27.969 2.050 0.749 0.600 0.909 0.614 CB 1.176 30 residues pruned to eliminate duplicates Z: 16 34.881 2.072 1.048 0.836 1.000 0.733 CB 1.588 16 residues pruned to eliminate duplicates Z: 13 41.318 2.333 0.987 0.924 1.000 0.917 CB 1.807 13 residues pruned to eliminate duplicates Z: 28 32.751 2.336 0.891 0.551 0.926 0.556 CB 1.467 28 residues pruned to eliminate duplicates Z: 29 50.047 2.323 1.309 0.683 0.964 0.714 CB 1.546 31 residues pruned to eliminate duplicates Z: 16 23.470 2.080 0.525 0.811 0.933 0.733 CB 1.561 14 residues pruned to eliminate duplicates Z: 14 29.959 2.098 0.864 0.900 1.000 0.923 CA 1.517 14 residues pruned to eliminate duplicates Z: 12 39.464 2.281 1.078 0.931 1.000 1.000 CB 1.754 12 residues pruned to eliminate duplicates Z: 11 19.677 2.042 0.407 0.858 1.000 0.800 CB 1.595 11 residues pruned to eliminate duplicates Z: 14 30.317 2.163 1.176 0.827 0.846 0.615 CA 1.591 14 residues pruned to eliminate duplicates Z: 19 22.475 2.087 0.569 0.787 0.944 0.667 CB 1.331 19 residues pruned to eliminate duplicates Z: 8 5.680 1.791 0.151 0.752 0.857 0.429 CB 0.970 8 residues pruned to eliminate duplicates Z: 90 63.335 2.326 1.158 0.442 0.865 0.573 CB 1.641 90 residues pruned to eliminate duplicates Z: 19 23.815 2.069 0.539 0.810 1.000 0.833 CB 1.346 19 residues pruned to eliminate duplicates Z: 23 20.059 2.121 1.086 0.383 0.864 0.591 CB 1.268 23 residues pruned to eliminate duplicates Z: 13 28.115 2.243 0.705 0.880 0.917 0.417 CB 1.678 13 residues pruned to eliminate duplicates Z: 7 11.486 1.803 0.642 0.749 1.000 0.667 CA 1.268 7 residues pruned to eliminate duplicates Z: 17 27.499 2.136 0.508 0.806 0.938 0.688 CB 1.743 17 residues pruned to eliminate duplicates Z: 29 42.841 2.211 1.166 0.524 0.964 0.679 CB 1.712 12 residues pruned to eliminate duplicates Z: 20 25.192 2.244 0.661 0.787 0.947 0.737 CB 1.272 20 residues pruned to eliminate duplicates Z: 12 9.605 2.018 0.743 0.377 0.727 0.545 CB 1.292 12 residues pruned to eliminate duplicates Z: 17 24.049 2.116 0.692 0.779 0.938 0.688 CB 1.400 17 residues pruned to eliminate duplicates Z: 7 13.372 1.974 1.148 0.654 0.833 0.667 CA 1.338 7 residues pruned to eliminate duplicates Z: 12 40.373 2.270 1.593 0.884 1.000 0.727 CB 1.495 12 residues pruned to eliminate duplicates Z: 104 59.296 2.203 0.980 0.499 0.913 0.660 CB 1.470 60 residues pruned to eliminate duplicates Z: 16 22.707 2.143 0.614 0.812 0.800 0.467 CB 1.615 16 residues pruned to eliminate duplicates Z: 13 39.877 2.196 1.194 0.845 1.000 0.833 CA 1.777 13 residues pruned to eliminate duplicates Z: 24 26.590 2.175 0.910 0.562 0.870 0.565 CB 1.445 24 residues pruned to eliminate duplicates Z: 73 61.784 2.397 1.073 0.439 0.917 0.611 CB 1.702 73 residues pruned to eliminate duplicates Z: 15 38.711 2.215 1.223 0.795 1.000 0.643 CB 1.622 15 residues pruned to eliminate duplicates Z: 26 34.898 2.338 0.908 0.614 0.920 0.560 CB 1.527 26 residues pruned to eliminate duplicates Z: 19 20.568 1.849 0.821 0.666 0.944 0.778 CB 1.307 Z: 66 57.749 2.347 1.034 0.501 0.908 0.585 CB 1.651 66 residues pruned to eliminate duplicates Z: 14 20.727 2.151 0.318 0.856 0.846 0.846 CB 1.767 14 residues pruned to eliminate duplicates Z: 96 75.536 2.433 1.186 0.497 0.895 0.632 CB 1.633 99 residues pruned to eliminate duplicates Z: 49 48.667 2.457 1.012 0.479 0.854 0.562 CB 1.699 49 residues pruned to eliminate duplicates Z: 12 9.289 1.889 0.339 0.408 0.818 0.273 CB 1.491 12 residues pruned to eliminate duplicates Z: 16 19.872 2.131 0.295 0.811 1.000 0.800 CB 1.418 16 residues pruned to eliminate duplicates Z: 17 24.801 2.104 0.698 0.805 0.938 0.688 CB 1.418 17 residues pruned to eliminate duplicates Z: 17 28.982 1.923 0.859 0.876 1.000 0.625 CB 1.473 17 residues pruned to eliminate duplicates Z: 75 67.658 2.420 1.180 0.487 0.892 0.568 CB 1.693 75 residues pruned to eliminate duplicates Z: 34 25.695 2.095 1.145 0.306 0.909 0.455 CB 1.359 33 residues pruned to eliminate duplicates Z: 48 34.485 2.140 1.001 0.457 0.851 0.511 CB 1.442 48 residues pruned to eliminate duplicates Z: 21 12.414 1.908 0.508 0.324 0.850 0.450 CB 1.377 21 residues pruned to eliminate duplicates Z: 11 13.559 1.975 0.421 0.783 0.900 0.700 CB 1.323 Z: 28 36.382 2.293 1.013 0.574 0.852 0.556 CB 1.658 28 residues pruned to eliminate duplicates Z: 48 59.925 2.443 1.208 0.501 0.936 0.596 CB 1.730 48 residues pruned to eliminate duplicates Z: 12 23.970 2.018 1.024 0.796 0.818 0.636 CA 1.669 12 residues pruned to eliminate duplicates Z: 36 32.076 2.119 1.114 0.432 0.914 0.629 CB 1.421 39 residues pruned to eliminate duplicates Z: 31 30.521 2.202 0.601 0.633 0.900 0.567 CB 1.550 31 residues pruned to eliminate duplicates Z: 20 25.391 2.181 0.809 0.812 0.895 0.526 CB 1.257 20 residues pruned to eliminate duplicates Z: 23 20.575 2.033 0.946 0.537 0.818 0.500 CB 1.307 23 residues pruned to eliminate duplicates Z: 12 13.765 1.861 0.495 0.795 0.818 0.636 CB 1.407 11 residues pruned to eliminate duplicates Z: 14 30.221 2.164 0.946 0.859 1.000 0.692 CB 1.465 14 residues pruned to eliminate duplicates Z: 13 25.947 2.230 0.863 0.868 0.833 0.667 CB 1.581 13 residues pruned to eliminate duplicates Z: 26 20.816 1.895 0.904 0.415 0.960 0.600 CB 1.314 13 residues pruned to eliminate duplicates Z: 51 36.648 2.157 1.004 0.480 0.920 0.620 CB 1.331 51 residues pruned to eliminate duplicates Z: 62 57.718 2.404 1.064 0.558 0.869 0.623 CB 1.620 62 residues pruned to eliminate duplicates Z: 30 39.793 2.160 1.112 0.535 0.966 0.655 CB 1.621 30 residues pruned to eliminate duplicates Z: 28 25.406 2.085 0.700 0.631 0.889 0.593 CB 1.372 18 residues pruned to eliminate duplicates Z: 19 21.308 2.111 0.492 0.800 0.889 0.722 CB 1.380 19 residues pruned to eliminate duplicates Z: 17 23.124 2.067 0.693 0.751 0.812 0.688 CB 1.624 17 residues pruned to eliminate duplicates Z: 19 20.805 2.066 0.349 0.831 1.000 0.667 CB 1.322 19 residues pruned to eliminate duplicates Z: 14 32.644 2.410 1.244 0.564 0.923 0.692 CB 1.705 14 residues pruned to eliminate duplicates Z: 56 28.082 1.852 0.635 0.573 0.909 0.600 CB 1.282 28 residues pruned to eliminate duplicates Z: 17 18.272 1.996 0.347 0.768 0.812 0.750 CB 1.650 17 residues pruned to eliminate duplicates Z: 50 53.071 2.459 1.043 0.448 0.898 0.592 CB 1.772 50 residues pruned to eliminate duplicates Z: 17 29.057 2.105 0.654 0.779 1.000 0.562 CB 1.631 17 residues pruned to eliminate duplicates Z: 6 7.207 1.787 0.503 0.666 1.000 0.400 CA 1.029 6 residues pruned to eliminate duplicates Z: 51 33.507 2.057 0.967 0.557 0.940 0.660 CB 1.179 53 residues pruned to eliminate duplicates Z: 90 70.712 2.379 1.100 0.471 0.921 0.640 CB 1.677 90 residues pruned to eliminate duplicates Z: 16 24.291 2.056 0.631 0.845 0.933 0.600 CB 1.490 16 residues pruned to eliminate duplicates Z: 6 8.207 2.055 0.230 0.739 0.800 0.600 CA 1.465 6 residues pruned to eliminate duplicates Z: 25 43.662 2.358 1.121 0.651 0.958 0.500 CB 1.615 27 residues pruned to eliminate duplicates Z: 11 13.053 2.065 0.844 0.549 0.800 0.500 CB 1.291 11 residues pruned to eliminate duplicates Z: 12 38.937 2.290 1.328 0.922 1.000 0.636 CB 1.548 12 residues pruned to eliminate duplicates Z: 16 18.513 2.122 0.802 0.870 0.933 0.400 CB 0.978 16 residues pruned to eliminate duplicates Z: 10 16.991 1.987 0.601 0.884 0.889 0.556 CB 1.447 10 residues pruned to eliminate duplicates Z: 15 18.949 2.129 0.645 0.921 0.929 0.857 CB 1.096 15 residues pruned to eliminate duplicates Z: 40 30.961 1.960 0.896 0.572 0.897 0.692 CB 1.387 42 residues pruned to eliminate duplicates Z: 20 22.129 2.053 0.308 0.839 1.000 0.684 CB 1.412 20 residues pruned to eliminate duplicates Z: 19 33.787 2.223 0.972 0.769 0.944 0.611 CB 1.515 19 residues pruned to eliminate duplicates Z: 15 30.854 2.202 0.874 0.894 1.000 0.714 CB 1.433 15 residues pruned to eliminate duplicates Z: 12 35.713 2.268 1.348 0.871 0.909 0.727 CB 1.623 12 residues pruned to eliminate duplicates Z: 17 14.692 2.064 1.098 0.375 0.750 0.438 CB 1.292 17 residues pruned to eliminate duplicates Z: 28 32.355 2.280 0.903 0.557 0.889 0.593 CB 1.528 29 residues pruned to eliminate duplicates Z: 12 34.605 2.231 1.110 0.924 1.000 0.727 CB 1.556 12 residues pruned to eliminate duplicates Z: 50 47.818 2.427 1.045 0.452 0.857 0.531 CB 1.687 50 residues pruned to eliminate duplicates Z: 16 15.442 2.079 0.932 0.838 0.867 0.667 CB 0.856 16 residues pruned to eliminate duplicates Z: 17 22.517 1.811 0.882 0.825 0.875 0.750 CB 1.425 17 residues pruned to eliminate duplicates Z: 84 69.842 2.347 1.081 0.526 0.904 0.614 CB 1.694 84 residues pruned to eliminate duplicates Z: 61 54.684 2.175 1.152 0.547 0.983 0.667 CB 1.465 61 residues pruned to eliminate duplicates Z: 6 8.036 2.045 0.826 0.685 1.000 0.800 CB 0.812 Z: 42 43.159 2.253 0.900 0.493 0.976 0.659 CB 1.625 42 residues pruned to eliminate duplicates Z: 11 18.753 1.921 0.651 0.891 0.900 0.700 CA 1.493 11 residues pruned to eliminate duplicates Z: 11 14.296 1.890 0.448 0.841 0.800 0.600 CB 1.539 11 residues pruned to eliminate duplicates Z: 9 8.958 1.732 0.597 0.429 1.000 0.875 CB 1.232 8 residues pruned to eliminate duplicates Z: 8 6.332 1.740 0.708 0.469 0.714 0.571 CA 1.163 8 residues pruned to eliminate duplicates Z: 95 55.235 2.311 0.860 0.455 0.862 0.638 CB 1.610 95 residues pruned to eliminate duplicates Z: 7 10.381 1.736 0.751 0.634 0.833 0.667 O 1.475 7 residues pruned to eliminate duplicates Z: 26 39.144 2.200 1.172 0.570 0.960 0.520 CB 1.594 26 residues pruned to eliminate duplicates Z: 9 4.937 1.755 0.362 0.382 0.750 0.625 CB 1.103 9 residues pruned to eliminate duplicates Z: 23 23.815 2.090 0.722 0.600 0.864 0.591 CB 1.485 23 residues pruned to eliminate duplicates Z: 32 40.714 2.228 1.204 0.633 0.935 0.516 CB 1.405 32 residues pruned to eliminate duplicates Z: 13 27.313 2.153 0.867 0.843 0.917 0.833 CB 1.594 13 residues pruned to eliminate duplicates Z: 9 20.216 2.135 0.837 0.812 0.875 0.500 CA 1.587 9 residues pruned to eliminate duplicates Z: 15 31.053 2.236 0.907 0.778 0.929 0.857 CB 1.640 15 residues pruned to eliminate duplicates Z: 15 37.567 2.206 1.302 0.920 1.000 0.714 CB 1.392 15 residues pruned to eliminate duplicates Z: 22 29.569 2.034 1.170 0.563 0.905 0.571 CB 1.521 22 residues pruned to eliminate duplicates Z: 12 27.746 2.138 0.683 0.921 1.000 1.000 CB 1.636 12 residues pruned to eliminate duplicates Z: 9 4.264 1.468 0.175 0.376 0.875 0.375 CB 1.139 9 residues pruned to eliminate duplicates Z: 7 8.214 1.806 0.482 0.843 0.833 0.500 CB 1.120 7 residues pruned to eliminate duplicates Z: 10 12.794 1.783 0.405 0.892 1.000 0.889 CB 1.224 10 residues pruned to eliminate duplicates Z: 44 37.109 2.145 0.971 0.502 0.930 0.512 CB 1.436 44 residues pruned to eliminate duplicates Z: 19 21.523 2.077 0.473 0.774 0.833 0.500 CB 1.562 19 residues pruned to eliminate duplicates Z: 14 22.611 2.059 0.525 0.803 1.000 0.462 CB 1.532 14 residues pruned to eliminate duplicates Z: 11 19.331 1.959 0.829 0.846 0.800 0.600 CA 1.584 11 residues pruned to eliminate duplicates Z: 15 22.952 1.946 0.926 0.735 0.857 0.357 CB 1.546 15 residues pruned to eliminate duplicates Z: 45 38.402 2.314 0.921 0.439 0.886 0.636 CB 1.564 45 residues pruned to eliminate duplicates Z: 8 7.090 1.777 0.343 0.400 1.000 0.571 CB 1.247 Z: 10 13.512 1.737 0.435 0.886 1.000 1.000 CB 1.304 10 residues pruned to eliminate duplicates Z: 10 15.324 1.767 0.667 0.911 1.000 0.556 CB 1.229 10 residues pruned to eliminate duplicates Z: 58 53.873 2.281 1.043 0.528 0.965 0.649 CB 1.543 58 residues pruned to eliminate duplicates Z: 10 21.057 1.869 0.964 0.917 1.000 0.778 CB 1.349 9 residues pruned to eliminate duplicates Z: 18 26.008 2.126 0.462 0.833 0.941 0.647 CB 1.618 18 residues pruned to eliminate duplicates Z: 13 29.236 2.147 1.192 0.813 0.917 0.583 CB 1.490 13 residues pruned to eliminate duplicates Z: 28 26.643 2.046 0.646 0.614 0.926 0.593 CB 1.476 28 residues pruned to eliminate duplicates Z: 6 11.045 1.540 0.946 0.782 1.000 1.000 CA 1.286 6 residues pruned to eliminate duplicates Z: 55 46.942 2.344 0.998 0.430 0.907 0.556 CB 1.616 55 residues pruned to eliminate duplicates Z: 20 10.647 1.870 0.408 0.372 0.842 0.474 CB 1.264 20 residues pruned to eliminate duplicates Z: 44 57.004 2.472 1.213 0.497 0.884 0.698 CB 1.803 44 residues pruned to eliminate duplicates Z: 19 28.509 2.133 0.709 0.704 0.944 0.611 CB 1.622 19 residues pruned to eliminate duplicates Z: 22 38.003 2.312 1.078 0.654 0.857 0.714 CB 1.745 22 residues pruned to eliminate duplicates Z: 31 16.025 1.770 0.592 0.502 0.833 0.700 CB 1.243 31 residues pruned to eliminate duplicates Z: 11 7.056 1.636 0.421 0.435 0.900 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 25 37.247 2.384 0.951 0.569 0.917 0.708 CB 1.669 25 residues pruned to eliminate duplicates Z: 9 15.143 1.758 0.669 0.904 1.000 0.875 CB 1.300 9 residues pruned to eliminate duplicates Z: 10 11.566 1.751 0.490 0.886 0.889 0.778 CB 1.200 10 residues pruned to eliminate duplicates Z: 23 28.750 2.086 0.681 0.659 0.955 0.682 CB 1.580 23 residues pruned to eliminate duplicates Z: 29 30.922 2.212 1.039 0.541 0.857 0.500 CB 1.451 29 residues pruned to eliminate duplicates Z: 13 33.699 2.311 1.049 0.923 0.917 0.667 CB 1.576 13 residues pruned to eliminate duplicates Z: 28 13.921 1.810 0.674 0.390 0.778 0.556 CB 1.277 28 residues pruned to eliminate duplicates Z: 46 54.354 2.429 1.184 0.501 0.911 0.600 CB 1.675 46 residues pruned to eliminate duplicates Z: 46 21.028 1.815 0.764 0.440 0.822 0.533 CB 1.266 46 residues pruned to eliminate duplicates Z: 79 41.996 2.092 0.772 0.459 0.923 0.615 CB 1.449 79 residues pruned to eliminate duplicates Z: 22 18.158 2.106 0.901 0.410 0.857 0.571 CB 1.269 22 residues pruned to eliminate duplicates Z: 6 5.402 1.706 0.002 0.657 1.000 1.000 O 1.222 Z: 8 7.750 2.029 0.091 0.902 1.000 0.857 CB 0.944 8 residues pruned to eliminate duplicates Z: 18 27.193 2.062 0.650 0.738 0.941 0.588 CB 1.664 18 residues pruned to eliminate duplicates Z: 10 11.743 1.813 0.325 0.878 0.889 0.667 CB 1.330 10 residues pruned to eliminate duplicates Z: 13 15.034 1.989 0.964 0.879 0.917 0.417 CB 0.879 13 residues pruned to eliminate duplicates Z: 42 37.574 2.075 0.982 0.514 0.951 0.707 CB 1.478 42 residues pruned to eliminate duplicates Z: 17 14.645 2.000 0.495 0.421 0.938 0.688 CB 1.418 17 residues pruned to eliminate duplicates Z: 96 84.355 2.434 1.172 0.528 0.947 0.632 CB 1.681 96 residues pruned to eliminate duplicates Z: 60 34.459 2.001 0.641 0.584 0.932 0.593 CB 1.351 60 residues pruned to eliminate duplicates Z: 8 11.193 2.303 0.756 0.462 0.857 0.429 CB 1.268 8 residues pruned to eliminate duplicates Z: 7 2.740 1.413 0.404 0.554 0.667 0.500 CB 0.803 7 residues pruned to eliminate duplicates Z: 35 28.290 2.124 0.850 0.450 0.941 0.588 CB 1.380 35 residues pruned to eliminate duplicates Z: 6 5.309 1.860 0.355 0.798 0.600 0.400 CB 1.210 6 residues pruned to eliminate duplicates Z: 11 15.106 1.703 0.874 0.906 1.000 0.900 CB 1.065 11 residues pruned to eliminate duplicates Z: 20 8.894 1.601 0.375 0.441 0.947 0.421 CB 1.040 20 residues pruned to eliminate duplicates Z: 10 15.200 1.985 1.181 0.398 0.889 0.667 CB 1.465 10 residues pruned to eliminate duplicates Z: 12 17.344 1.872 0.846 0.858 0.818 0.545 CB 1.362 12 residues pruned to eliminate duplicates Z: 24 20.258 2.056 0.938 0.373 0.913 0.696 CB 1.330 24 residues pruned to eliminate duplicates Z: 10 14.648 1.966 0.397 0.858 0.889 0.778 CB 1.472 10 residues pruned to eliminate duplicates Z: 35 28.799 2.096 0.865 0.432 0.882 0.588 CB 1.536 35 residues pruned to eliminate duplicates Z: 14 13.644 1.886 0.805 0.486 0.846 0.615 CB 1.332 14 residues pruned to eliminate duplicates Z: 15 15.836 2.063 0.369 0.845 1.000 0.786 CB 1.113 15 residues pruned to eliminate duplicates Z: 11 11.896 1.715 0.363 0.846 0.900 0.800 CB 1.329 11 residues pruned to eliminate duplicates Z: 69 42.001 2.126 0.947 0.456 0.868 0.559 CB 1.484 69 residues pruned to eliminate duplicates Z: 7 3.619 1.612 -0.043 0.366 0.833 0.667 N 1.327 Z: 6 5.002 1.987 0.758 0.251 0.800 0.800 CB 1.066 6 residues pruned to eliminate duplicates Z: 9 10.364 1.718 0.362 0.874 0.875 0.875 CB 1.303 Z: 17 31.319 2.067 1.192 0.648 1.000 0.812 CB 1.506 17 residues pruned to eliminate duplicates Z: 23 33.996 2.252 1.004 0.582 0.955 0.500 CB 1.556 23 residues pruned to eliminate duplicates Z: 7 8.958 1.961 0.603 0.605 0.833 0.667 CB 1.263 7 residues pruned to eliminate duplicates Z: 16 30.683 2.175 1.183 0.887 0.933 0.533 CB 1.289 16 residues pruned to eliminate duplicates Z: 8 7.566 1.872 0.277 0.672 0.714 0.429 C 1.430 8 residues pruned to eliminate duplicates Z: 24 14.929 1.522 0.718 0.606 0.957 0.783 CB 1.125 21 residues pruned to eliminate duplicates Z: 10 4.998 1.635 0.256 0.397 0.778 0.667 N 1.162 Z: 12 10.737 1.606 0.338 0.845 1.000 0.727 CB 1.120 12 residues pruned to eliminate duplicates Z: 25 15.918 1.942 0.701 0.326 0.958 0.625 CB 1.243 25 residues pruned to eliminate duplicates Z: 31 37.076 2.208 1.135 0.599 0.933 0.567 CB 1.400 31 residues pruned to eliminate duplicates Z: 12 14.566 1.897 1.154 0.397 0.818 0.545 CB 1.464 8 residues pruned to eliminate duplicates Z: 14 21.094 2.006 1.243 0.495 0.846 0.538 CB 1.544 14 residues pruned to eliminate duplicates Z: 7 5.230 1.472 0.612 0.538 0.833 0.667 CB 1.041 7 residues pruned to eliminate duplicates Z: 10 12.057 1.766 0.565 0.883 0.889 0.778 CB 1.183 19 residues pruned to eliminate duplicates Z: 20 34.202 2.354 1.130 0.690 0.895 0.632 CB 1.470 20 residues pruned to eliminate duplicates Z: 72 60.991 2.283 1.070 0.536 0.930 0.563 CB 1.591 72 residues pruned to eliminate duplicates Z: 17 18.963 2.028 0.603 0.482 1.000 0.625 CB 1.486 17 residues pruned to eliminate duplicates Z: 6 5.892 1.846 0.283 0.820 0.800 0.800 CB 1.053 6 residues pruned to eliminate duplicates Z: 7 9.272 2.035 -0.002 0.845 0.833 0.667 CB 1.663 7 residues pruned to eliminate duplicates Z: 29 30.504 2.133 0.869 0.537 0.929 0.643 CB 1.501 29 residues pruned to eliminate duplicates Z: 6 6.704 1.711 0.269 0.716 1.000 0.800 CA 1.135 6 residues pruned to eliminate duplicates Z: 14 8.547 1.744 0.231 0.500 1.000 0.615 CB 1.104 13 residues pruned to eliminate duplicates Z: 52 29.049 2.065 0.558 0.546 0.980 0.667 CB 1.233 52 residues pruned to eliminate duplicates Z: 16 19.298 2.060 0.911 0.913 0.867 0.600 CB 1.033 16 residues pruned to eliminate duplicates Z: 10 10.356 1.832 0.252 0.880 0.889 0.778 CB 1.227 10 residues pruned to eliminate duplicates Z: 11 14.581 2.000 0.904 0.573 0.900 0.600 CB 1.254 11 residues pruned to eliminate duplicates Z: 6 6.671 2.022 0.447 0.631 0.800 0.800 CA 1.127 6 residues pruned to eliminate duplicates Z: 22 27.824 2.126 0.869 0.594 0.905 0.524 CB 1.545 22 residues pruned to eliminate duplicates Z: 57 30.622 1.868 0.694 0.603 0.911 0.625 CB 1.287 58 residues pruned to eliminate duplicates Z: 49 34.437 2.173 0.874 0.484 0.896 0.562 CB 1.385 49 residues pruned to eliminate duplicates Z: 14 21.200 2.194 0.975 0.434 0.923 0.538 CB 1.575 14 residues pruned to eliminate duplicates Z: 53 34.519 2.085 0.819 0.586 0.942 0.731 CB 1.233 53 residues pruned to eliminate duplicates Z: 51 31.257 2.054 0.721 0.512 0.900 0.620 CB 1.373 56 residues pruned to eliminate duplicates Z: 29 33.095 2.118 1.030 0.608 0.929 0.679 CB 1.413 29 residues pruned to eliminate duplicates Z: 21 26.461 2.151 0.542 0.753 0.950 0.750 CB 1.498 21 residues pruned to eliminate duplicates Z: 14 27.714 2.066 0.597 0.950 1.000 1.000 CA 1.606 14 residues pruned to eliminate duplicates Z: 22 15.585 1.816 0.523 0.478 1.000 0.667 CB 1.257 22 residues pruned to eliminate duplicates Z: 35 36.351 2.277 1.036 0.503 0.853 0.559 CB 1.571 35 residues pruned to eliminate duplicates Z: 10 16.442 1.975 0.589 0.844 0.889 0.667 CB 1.462 10 residues pruned to eliminate duplicates Z: 16 23.323 2.164 0.531 0.782 0.933 0.667 CB 1.519 16 residues pruned to eliminate duplicates Z: 96 68.392 2.385 1.051 0.466 0.905 0.579 CB 1.640 96 residues pruned to eliminate duplicates Z: 52 36.692 2.041 0.955 0.628 0.961 0.647 CB 1.188 52 residues pruned to eliminate duplicates Z: 11 11.890 1.699 0.505 0.897 1.000 0.900 CB 1.053 11 residues pruned to eliminate duplicates Z: 7 4.753 1.307 1.051 0.703 0.667 0.667 CA 0.903 7 residues pruned to eliminate duplicates Z: 9 8.911 1.611 0.568 0.784 0.875 0.625 CB 1.110 9 residues pruned to eliminate duplicates Z: 15 33.949 2.231 0.948 0.922 1.000 0.714 CB 1.468 16 residues pruned to eliminate duplicates Z: 6 8.837 2.087 0.234 0.658 1.000 0.800 CA 1.324 6 residues pruned to eliminate duplicates Z: 19 31.673 2.032 0.660 0.849 1.000 0.722 CA 1.641 19 residues pruned to eliminate duplicates Z: 10 12.111 1.741 0.657 0.892 0.889 0.667 CB 1.131 10 residues pruned to eliminate duplicates Z: 20 10.901 1.744 0.360 0.558 0.947 0.737 CB 1.052 20 residues pruned to eliminate duplicates Z: 10 9.491 1.729 0.253 0.834 1.000 0.889 CB 1.095 10 residues pruned to eliminate duplicates 6 1.601 1.484 0.133 0.287 0.600 0.400 CB 0.902 ? Z: 33 43.851 2.298 1.201 0.539 0.938 0.531 CB 1.574 33 residues pruned to eliminate duplicates Z: 11 5.929 1.483 0.334 0.831 0.800 0.500 CB 0.890 11 residues pruned to eliminate duplicates Z: 25 17.417 1.733 0.592 0.619 0.958 0.750 CB 1.202 25 residues pruned to eliminate duplicates Z: 7 4.238 1.809 0.124 0.385 0.833 0.667 CB 1.153 7 residues pruned to eliminate duplicates Z: 8 5.424 1.568 0.393 0.421 0.857 0.714 N 1.189 8 residues pruned to eliminate duplicates Z: 19 20.597 1.816 0.692 0.638 0.944 0.778 CB 1.470 19 residues pruned to eliminate duplicates Z: 37 35.009 2.205 0.943 0.492 0.917 0.611 CB 1.498 37 residues pruned to eliminate duplicates Z: 20 18.426 1.935 0.798 0.466 0.947 0.632 CB 1.326 20 residues pruned to eliminate duplicates Z: 22 13.749 1.737 0.442 0.543 0.952 0.619 CB 1.206 22 residues pruned to eliminate duplicates Z: 15 22.622 2.062 1.176 0.529 0.929 0.571 CB 1.410 15 residues pruned to eliminate duplicates Z: 30 50.588 2.307 1.418 0.695 0.966 0.793 CB 1.460 28 residues pruned to eliminate duplicates Z: 10 9.637 1.797 -0.003 0.882 1.000 0.778 CB 1.298 10 residues pruned to eliminate duplicates Z: 7 8.222 1.686 0.557 0.852 0.833 0.333 CB 1.134 7 residues pruned to eliminate duplicates Z: 9 12.600 1.720 0.372 0.877 1.000 0.875 CB 1.371 9 residues pruned to eliminate duplicates Z: 29 53.434 2.346 1.376 0.715 1.000 0.714 CB 1.491 29 residues pruned to eliminate duplicates Z: 7 10.696 1.824 0.825 0.875 0.833 0.833 CB 1.145 7 residues pruned to eliminate duplicates Z: 16 26.173 2.020 0.420 0.848 1.000 0.733 CB 1.748 16 residues pruned to eliminate duplicates Z: 16 19.178 2.037 0.636 0.832 1.000 0.600 CB 1.116 16 residues pruned to eliminate duplicates Z: 6 3.770 1.522 0.559 0.267 0.800 0.600 O 1.157 6 residues pruned to eliminate duplicates Z: 24 15.290 1.768 0.555 0.534 0.826 0.652 CB 1.359 24 residues pruned to eliminate duplicates Z: 11 7.658 1.601 0.199 0.526 0.900 0.700 CB 1.367 9 residues pruned to eliminate duplicates Z: 17 19.499 1.779 0.728 0.772 0.875 0.688 CB 1.425 17 residues pruned to eliminate duplicates Z: 36 35.739 2.106 1.069 0.407 0.943 0.600 CB 1.622 36 residues pruned to eliminate duplicates Z: 45 41.616 2.213 0.927 0.494 0.977 0.568 CB 1.514 45 residues pruned to eliminate duplicates Z: 28 14.639 1.815 0.598 0.359 0.889 0.593 CB 1.271 28 residues pruned to eliminate duplicates Z: 12 9.219 1.641 0.178 0.785 0.909 0.636 CB 1.231 12 residues pruned to eliminate duplicates Z: 7 5.709 1.768 0.881 0.214 0.667 0.333 CB 1.471 7 residues pruned to eliminate duplicates Z: 6 5.897 1.770 0.031 0.824 1.000 0.600 CB 1.092 6 residues pruned to eliminate duplicates Z: 27 27.438 2.269 0.986 0.464 0.808 0.500 CB 1.534 27 residues pruned to eliminate duplicates Z: 10 15.333 1.762 0.752 0.932 1.000 1.000 CB 1.156 10 residues pruned to eliminate duplicates Z: 60 38.880 2.006 0.798 0.617 0.915 0.593 CB 1.372 60 residues pruned to eliminate duplicates Z: 58 25.829 1.892 0.800 0.370 0.912 0.491 CB 1.266 58 residues pruned to eliminate duplicates Z: 8 15.683 1.780 1.082 0.702 1.000 0.714 CB 1.330 Z: 8 23.544 2.063 1.107 0.832 1.000 0.286 CB 1.537 8 residues pruned to eliminate duplicates Z: 9 11.066 1.629 0.655 0.588 1.000 1.000 N 1.333 Z: 16 21.092 2.164 0.775 0.888 1.000 0.533 CB 1.022 16 residues pruned to eliminate duplicates Z: 18 16.031 1.744 0.491 0.783 0.765 0.647 O 1.525 18 residues pruned to eliminate duplicates Z: 11 13.102 1.919 0.496 0.806 0.900 0.700 CB 1.228 11 residues pruned to eliminate duplicates Z: 17 16.480 1.993 1.085 0.422 0.812 0.500 CB 1.324 17 residues pruned to eliminate duplicates Z: 12 12.441 2.161 0.627 0.429 0.909 0.455 CB 1.263 12 residues pruned to eliminate duplicates Z: 21 24.521 2.111 0.971 0.573 0.800 0.400 CB 1.536 21 residues pruned to eliminate duplicates Z: 6 7.969 1.790 0.503 0.621 0.800 0.800 CA 1.477 6 residues pruned to eliminate duplicates Z: 11 23.913 2.052 1.170 0.612 0.900 0.600 CA 1.697 11 residues pruned to eliminate duplicates Z: 12 10.015 1.556 0.559 0.788 0.909 0.545 CB 1.063 12 residues pruned to eliminate duplicates Z: 23 15.159 1.854 0.784 0.420 0.818 0.545 CB 1.298 23 residues pruned to eliminate duplicates Z: 16 17.823 1.968 0.908 0.914 0.933 0.400 CB 0.928 16 residues pruned to eliminate duplicates Z: 29 19.343 1.916 0.692 0.500 0.821 0.643 CB 1.373 29 residues pruned to eliminate duplicates Z: 11 11.003 1.649 0.389 0.841 0.900 0.700 CB 1.258 11 residues pruned to eliminate duplicates Z: 7 7.358 1.514 0.871 0.491 0.833 0.500 CB 1.284 7 residues pruned to eliminate duplicates Z: 13 25.444 1.992 0.934 0.871 0.917 0.917 CB 1.516 13 residues pruned to eliminate duplicates Z: 50 56.010 2.349 1.181 0.504 0.939 0.673 CB 1.657 50 residues pruned to eliminate duplicates Z: 12 18.068 1.859 0.857 0.711 1.000 0.636 CB 1.302 12 residues pruned to eliminate duplicates 6 1.789 1.336 0.203 0.296 0.600 0.400 CB 1.042 ? Z: 14 13.231 1.712 0.937 0.485 0.846 0.615 CA 1.327 14 residues pruned to eliminate duplicates Z: 6 3.260 1.653 0.907 0.582 0.600 0.200 CB 0.712 6 residues pruned to eliminate duplicates Z: 16 17.638 2.092 0.431 0.837 0.733 0.400 CB 1.552 16 residues pruned to eliminate duplicates Z: 8 5.227 1.802 0.059 0.607 0.857 0.714 CB 1.090 Z: 10 14.894 1.986 0.164 0.913 1.000 0.889 CB 1.519 10 residues pruned to eliminate duplicates Z: 15 20.271 2.205 0.769 0.889 0.929 0.714 CB 1.076 15 residues pruned to eliminate duplicates Z: 20 20.940 2.264 0.798 0.405 0.947 0.579 CB 1.377 20 residues pruned to eliminate duplicates Z: 26 30.627 2.318 0.880 0.537 0.920 0.520 CB 1.473 26 residues pruned to eliminate duplicates Z: 32 11.535 1.740 0.449 0.464 0.742 0.516 CB 1.149 32 residues pruned to eliminate duplicates Z: 21 13.971 1.946 0.576 0.627 0.900 0.650 CB 1.005 21 residues pruned to eliminate duplicates Z: 20 17.781 1.953 0.623 0.440 0.895 0.684 CB 1.530 20 residues pruned to eliminate duplicates Z: 43 38.080 2.032 1.079 0.511 0.905 0.690 CB 1.520 43 residues pruned to eliminate duplicates Z: 39 28.480 2.146 0.721 0.544 0.947 0.658 CB 1.265 39 residues pruned to eliminate duplicates Z: 13 23.484 2.402 0.843 0.857 0.833 0.500 CB 1.354 13 residues pruned to eliminate duplicates Z: 11 5.816 1.579 0.411 0.452 0.800 0.500 CB 1.084 Z: 11 9.545 1.575 0.496 0.861 1.000 0.500 CB 0.941 11 residues pruned to eliminate duplicates Z: 43 44.582 2.211 1.054 0.520 0.929 0.595 CB 1.599 43 residues pruned to eliminate duplicates Z: 10 6.995 1.541 0.207 0.838 1.000 0.778 CB 0.937 10 residues pruned to eliminate duplicates Z: 13 21.825 2.021 0.533 0.905 1.000 0.833 CB 1.448 13 residues pruned to eliminate duplicates Z: 24 38.917 2.184 1.159 0.572 0.913 0.696 CB 1.758 24 residues pruned to eliminate duplicates Z: 15 26.139 2.201 0.935 0.782 0.929 0.643 CB 1.378 15 residues pruned to eliminate duplicates Z: 20 13.120 1.987 0.554 0.643 0.947 0.632 CB 0.900 20 residues pruned to eliminate duplicates Z: 21 15.905 1.938 0.840 0.396 0.900 0.600 CB 1.236 21 residues pruned to eliminate duplicates Z: 19 23.873 2.074 0.506 0.639 0.944 0.778 CB 1.675 19 residues pruned to eliminate duplicates Z: 10 9.344 1.833 0.125 0.875 0.889 0.889 CB 1.236 10 residues pruned to eliminate duplicates Z: 40 29.461 1.974 0.696 0.588 0.897 0.718 CB 1.442 40 residues pruned to eliminate duplicates Z: 6 2.047 1.333 -0.063 0.419 0.800 0.800 O 0.997 Z: 22 38.380 2.334 1.163 0.625 0.952 0.810 CB 1.548 22 residues pruned to eliminate duplicates Z: 49 27.551 2.045 0.850 0.435 0.833 0.542 CB 1.349 49 residues pruned to eliminate duplicates Z: 6 10.855 2.358 0.448 0.351 1.000 0.400 CB 1.670 Z: 16 37.033 2.244 1.137 0.918 1.000 0.533 CB 1.406 18 residues pruned to eliminate duplicates Z: 8 2.645 1.597 0.268 0.208 0.714 0.429 N 0.976 Z: 114 60.210 2.160 0.949 0.498 0.903 0.655 CB 1.494 114 residues pruned to eliminate duplicates Z: 6 4.206 1.469 0.310 0.710 1.000 1.000 CB 0.808 Z: 10 13.136 1.712 0.577 0.922 1.000 0.667 CB 1.141 21 residues pruned to eliminate duplicates Z: 16 12.709 1.707 0.441 0.623 0.933 0.733 CB 1.272 16 residues pruned to eliminate duplicates Z: 32 25.477 2.052 0.882 0.521 0.839 0.677 CB 1.384 32 residues pruned to eliminate duplicates Z: 12 9.444 1.524 0.260 0.874 1.000 0.909 CB 1.080 12 residues pruned to eliminate duplicates Z: 33 44.712 2.542 1.054 0.446 0.875 0.562 CB 1.830 33 residues pruned to eliminate duplicates Z: 29 37.094 2.311 0.978 0.577 0.929 0.750 CB 1.533 43 residues pruned to eliminate duplicates Z: 16 21.741 1.991 1.182 0.428 0.800 0.600 CB 1.740 16 residues pruned to eliminate duplicates Z: 14 13.153 1.954 0.598 0.401 0.846 0.462 CA 1.532 14 residues pruned to eliminate duplicates Z: 19 28.545 2.214 0.612 0.768 1.000 0.611 CB 1.486 19 residues pruned to eliminate duplicates 423 residues left after pruning, divided into chains as follows: A: 162 B: 59 C: 173 D: 29 CC for partial structure against native data = 40.90 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.548, Connect. = 0.762 for dens.mod. cycle 1 = 0.300, Contrast = 0.632, Connect. = 0.787 for dens.mod. cycle 2 = 0.300, Contrast = 0.756, Connect. = 0.809 for dens.mod. cycle 3 = 0.300, Contrast = 0.770, Connect. = 0.811 for dens.mod. cycle 4 = 0.300, Contrast = 0.784, Connect. = 0.813 for dens.mod. cycle 5 = 0.300, Contrast = 0.789, Connect. = 0.814 for dens.mod. cycle 6 = 0.300, Contrast = 0.794, Connect. = 0.815 for dens.mod. cycle 7 = 0.300, Contrast = 0.796, Connect. = 0.816 for dens.mod. cycle 8 = 0.300, Contrast = 0.798, Connect. = 0.817 for dens.mod. cycle 9 = 0.300, Contrast = 0.799, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 1969 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 498 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 29.449 2.337 0.835 0.861 0.818 0.818 CA 1.860 B: 12 38.402 2.469 0.742 0.837 1.000 0.727 CA 2.014 12 residues pruned to eliminate duplicates C: 15 36.665 2.255 0.882 0.855 1.000 0.786 CB 1.705 12 residues pruned to eliminate duplicates D: 15 35.541 2.306 0.992 0.841 0.929 0.714 CB 1.660 15 residues pruned to eliminate duplicates E: 14 33.903 2.274 0.579 0.908 1.000 0.923 CB 1.861 F: 30 49.765 2.378 1.182 0.650 0.966 0.552 CB 1.603 G: 14 35.452 2.224 0.952 0.906 0.923 0.692 CB 1.745 14 residues pruned to eliminate duplicates H: 16 20.883 2.010 0.482 0.813 0.933 0.800 CB 1.478 I: 93 75.763 2.462 1.028 0.537 0.891 0.598 CB 1.712 29 residues pruned to eliminate duplicates J: 114 78.289 2.434 0.974 0.499 0.903 0.584 CB 1.700 93 residues pruned to eliminate duplicates K: 28 48.435 2.477 1.075 0.651 0.926 0.630 CB 1.701 30 residues pruned to eliminate duplicates L: 9 21.883 2.214 0.785 0.824 1.000 0.500 CB 1.479 9 residues pruned to eliminate duplicates M: 13 37.011 2.284 0.997 0.873 1.000 0.750 CA 1.706 N: 13 46.290 2.432 1.027 0.926 1.000 0.833 CB 1.902 O: 13 24.424 2.206 0.480 0.897 1.000 0.833 CA 1.547 13 residues pruned to eliminate duplicates P: 14 41.957 2.235 1.209 0.894 0.923 0.846 CB 1.831 14 residues pruned to eliminate duplicates Q: 17 28.501 2.265 0.477 0.823 0.938 0.688 CB 1.718 17 residues pruned to eliminate duplicates R: 14 31.664 2.509 1.000 0.828 0.846 0.538 CB 1.558 14 residues pruned to eliminate duplicates S: 16 34.878 2.218 0.989 0.830 1.000 0.600 CA 1.535 16 residues pruned to eliminate duplicates T: 13 26.649 2.258 0.471 0.879 0.917 0.833 CA 1.832 13 residues pruned to eliminate duplicates U: 14 39.023 2.361 1.059 0.842 0.923 0.769 CB 1.798 14 residues pruned to eliminate duplicates V: 13 37.705 2.404 0.926 0.909 0.917 0.750 CB 1.821 13 residues pruned to eliminate duplicates W: 20 15.651 2.210 0.536 0.332 0.895 0.579 CB 1.421 X: 7 17.896 2.091 0.725 0.737 1.000 0.500 CB 1.638 7 residues pruned to eliminate duplicates Y: 14 39.841 2.233 1.005 0.912 1.000 0.846 CA 1.748 14 residues pruned to eliminate duplicates Z: 13 29.245 2.164 0.712 0.947 1.000 1.000 CA 1.575 13 residues pruned to eliminate duplicates Z: 14 31.841 2.254 0.863 0.864 0.923 0.769 CB 1.670 14 residues pruned to eliminate duplicates Z: 10 16.782 2.066 0.353 0.826 0.889 0.778 CA 1.699 10 residues pruned to eliminate duplicates Z: 12 44.778 2.392 1.143 0.930 1.000 0.909 CA 1.842 13 residues pruned to eliminate duplicates Z: 31 30.738 2.201 0.509 0.828 0.900 0.800 CB 1.415 36 residues pruned to eliminate duplicates Z: 15 36.618 2.282 0.924 0.853 1.000 0.643 CB 1.647 15 residues pruned to eliminate duplicates Z: 15 25.370 2.100 0.494 0.839 1.000 0.786 CB 1.614 Z: 18 26.916 2.184 0.764 0.792 0.882 0.529 CB 1.486 Z: 12 47.482 2.486 1.094 0.901 1.000 0.909 CB 1.962 12 residues pruned to eliminate duplicates Z: 57 50.287 2.250 0.876 0.533 0.964 0.607 CB 1.599 44 residues pruned to eliminate duplicates Z: 6 4.485 1.848 0.317 0.719 0.800 0.600 CA 0.845 Z: 6 5.032 2.082 -0.075 0.791 0.800 0.400 CA 1.131 6 residues pruned to eliminate duplicates Z: 9 21.514 2.275 0.534 0.870 1.000 0.875 CA 1.591 9 residues pruned to eliminate duplicates Z: 18 27.624 2.174 0.357 0.862 1.000 0.588 CB 1.668 15 residues pruned to eliminate duplicates Z: 15 31.316 2.181 0.754 0.885 0.929 0.786 CA 1.701 13 residues pruned to eliminate duplicates Z: 20 21.654 2.099 0.442 0.752 0.947 0.684 CB 1.384 18 residues pruned to eliminate duplicates Z: 15 32.309 2.274 1.075 0.895 0.857 0.643 CB 1.531 15 residues pruned to eliminate duplicates Z: 15 35.092 2.144 0.974 0.874 1.000 0.929 CB 1.613 15 residues pruned to eliminate duplicates Z: 19 23.888 2.132 0.546 0.790 0.944 0.611 CB 1.402 19 residues pruned to eliminate duplicates Z: 19 27.264 2.166 0.675 0.781 1.000 0.667 CB 1.382 19 residues pruned to eliminate duplicates Z: 13 34.329 2.412 0.898 0.924 0.917 0.583 CB 1.659 13 residues pruned to eliminate duplicates Z: 15 23.048 2.109 0.494 0.872 1.000 0.786 CB 1.425 15 residues pruned to eliminate duplicates Z: 35 42.433 2.250 1.155 0.594 0.882 0.559 CB 1.555 33 residues pruned to eliminate duplicates Z: 14 25.215 2.279 0.349 0.839 1.000 0.769 CB 1.699 14 residues pruned to eliminate duplicates Z: 12 29.364 2.400 0.486 0.913 1.000 0.909 CB 1.757 12 residues pruned to eliminate duplicates Z: 52 33.468 2.145 0.650 0.564 0.922 0.686 CB 1.351 31 residues pruned to eliminate duplicates Z: 16 24.752 2.233 0.713 0.895 0.933 0.667 CB 1.283 16 residues pruned to eliminate duplicates Z: 9 25.736 2.107 1.135 0.915 1.000 1.000 CB 1.429 9 residues pruned to eliminate duplicates Z: 10 19.706 2.399 0.056 0.913 1.000 1.000 CA 1.834 Z: 27 54.136 2.550 1.187 0.676 0.923 0.615 CB 1.755 27 residues pruned to eliminate duplicates Z: 65 60.874 2.445 0.958 0.534 0.922 0.609 CB 1.667 65 residues pruned to eliminate duplicates Z: 16 25.621 2.049 0.704 0.837 0.867 0.667 CA 1.635 16 residues pruned to eliminate duplicates Z: 37 38.900 2.259 0.939 0.593 0.972 0.667 CB 1.393 37 residues pruned to eliminate duplicates Z: 42 23.247 1.940 0.496 0.527 0.927 0.683 CB 1.314 32 residues pruned to eliminate duplicates Z: 49 53.149 2.566 0.943 0.445 0.854 0.583 CB 1.906 49 residues pruned to eliminate duplicates Z: 6 9.217 2.201 0.387 0.575 0.800 0.400 CA 1.570 6 residues pruned to eliminate duplicates Z: 14 17.744 2.056 0.361 0.847 0.923 0.846 CA 1.414 9 residues pruned to eliminate duplicates Z: 17 25.097 2.035 0.820 0.907 1.000 0.750 CB 1.204 17 residues pruned to eliminate duplicates Z: 9 23.446 2.214 0.844 0.867 1.000 0.625 CA 1.485 9 residues pruned to eliminate duplicates Z: 12 51.783 2.572 1.173 0.921 1.000 0.727 CB 1.966 12 residues pruned to eliminate duplicates Z: 54 40.260 2.141 0.798 0.579 0.943 0.623 CB 1.411 52 residues pruned to eliminate duplicates Z: 18 24.437 2.223 0.447 0.805 0.941 0.647 CB 1.500 18 residues pruned to eliminate duplicates Z: 19 23.617 2.131 0.330 0.841 0.889 0.500 CB 1.648 19 residues pruned to eliminate duplicates Z: 71 57.891 2.464 0.874 0.477 0.886 0.643 CB 1.731 71 residues pruned to eliminate duplicates Z: 16 23.429 2.022 0.609 0.854 0.867 0.800 CB 1.585 15 residues pruned to eliminate duplicates Z: 25 26.194 2.177 0.835 0.534 0.875 0.458 CB 1.479 25 residues pruned to eliminate duplicates Z: 38 37.975 2.224 0.923 0.559 0.973 0.514 CB 1.417 38 residues pruned to eliminate duplicates Z: 120 82.123 2.414 1.028 0.504 0.908 0.639 CB 1.687 120 residues pruned to eliminate duplicates Z: 14 32.095 2.284 0.863 0.797 0.923 0.769 CB 1.747 14 residues pruned to eliminate duplicates Z: 14 31.286 2.187 0.926 0.860 0.923 0.692 CB 1.641 14 residues pruned to eliminate duplicates Z: 98 59.641 2.303 0.893 0.471 0.918 0.485 CB 1.559 49 residues pruned to eliminate duplicates Z: 30 41.919 2.312 1.050 0.499 0.897 0.655 CB 1.834 30 residues pruned to eliminate duplicates Z: 8 11.248 1.808 0.836 0.569 0.857 0.429 N 1.397 8 residues pruned to eliminate duplicates Z: 45 36.647 2.268 0.796 0.487 0.932 0.545 CB 1.475 45 residues pruned to eliminate duplicates Z: 27 31.604 2.326 0.905 0.614 0.923 0.500 CB 1.360 27 residues pruned to eliminate duplicates Z: 7 10.796 1.928 0.678 0.573 0.833 0.500 CA 1.525 7 residues pruned to eliminate duplicates Z: 17 26.225 2.192 0.497 0.839 0.875 0.625 CB 1.706 19 residues pruned to eliminate duplicates Z: 8 8.850 1.848 0.931 0.437 0.714 0.286 CA 1.400 8 residues pruned to eliminate duplicates Z: 17 33.056 2.097 0.740 0.880 0.938 0.438 CB 1.751 16 residues pruned to eliminate duplicates Z: 12 16.853 1.921 0.414 0.819 0.909 0.636 N 1.560 12 residues pruned to eliminate duplicates Z: 117 60.417 2.232 0.865 0.483 0.897 0.629 CB 1.529 101 residues pruned to eliminate duplicates Z: 48 46.194 2.265 0.851 0.467 1.000 0.660 CB 1.662 48 residues pruned to eliminate duplicates Z: 87 74.773 2.427 0.934 0.491 0.965 0.593 CB 1.796 87 residues pruned to eliminate duplicates Z: 14 36.010 2.136 0.918 0.895 1.000 0.846 CB 1.748 14 residues pruned to eliminate duplicates Z: 14 27.808 2.178 0.662 0.877 0.923 0.615 CB 1.676 14 residues pruned to eliminate duplicates Z: 23 28.260 2.317 0.944 0.474 0.864 0.636 CB 1.591 23 residues pruned to eliminate duplicates Z: 42 26.745 1.969 0.740 0.538 0.878 0.537 CB 1.338 43 residues pruned to eliminate duplicates Z: 13 22.005 2.000 0.782 0.728 0.917 0.750 CB 1.584 13 residues pruned to eliminate duplicates Z: 18 25.477 2.187 0.444 0.804 0.941 0.647 CB 1.594 18 residues pruned to eliminate duplicates Z: 58 34.273 2.113 0.555 0.585 0.877 0.667 CB 1.451 57 residues pruned to eliminate duplicates Z: 16 25.980 1.949 0.830 0.862 0.933 0.400 CB 1.478 16 residues pruned to eliminate duplicates Z: 17 24.317 2.158 0.627 0.716 1.000 0.750 CB 1.424 17 residues pruned to eliminate duplicates Z: 35 17.585 1.846 0.451 0.540 0.882 0.647 CB 1.227 Z: 28 17.859 1.893 0.819 0.343 0.852 0.519 CB 1.389 28 residues pruned to eliminate duplicates Z: 15 30.152 2.016 0.749 0.885 1.000 0.714 CB 1.651 15 residues pruned to eliminate duplicates Z: 18 24.162 2.059 0.559 0.858 0.824 0.647 CA 1.632 18 residues pruned to eliminate duplicates Z: 93 70.224 2.446 0.954 0.478 0.902 0.630 CB 1.735 93 residues pruned to eliminate duplicates Z: 59 39.466 2.129 0.669 0.596 0.897 0.638 CB 1.483 59 residues pruned to eliminate duplicates Z: 45 52.004 2.568 0.937 0.511 0.841 0.614 CB 1.854 45 residues pruned to eliminate duplicates Z: 12 16.634 1.890 0.601 0.842 0.818 0.636 CA 1.509 12 residues pruned to eliminate duplicates Z: 14 27.205 2.301 0.979 0.766 0.769 0.769 CB 1.702 14 residues pruned to eliminate duplicates Z: 17 23.256 2.172 0.676 0.719 0.812 0.625 CA 1.613 17 residues pruned to eliminate duplicates Z: 16 21.306 2.027 0.629 0.909 0.933 0.600 CB 1.267 16 residues pruned to eliminate duplicates Z: 26 32.143 2.287 0.830 0.650 0.880 0.600 CB 1.518 29 residues pruned to eliminate duplicates Z: 14 16.987 2.114 0.504 0.799 0.846 0.615 CB 1.348 14 residues pruned to eliminate duplicates Z: 30 50.283 2.403 1.216 0.648 0.931 0.655 CB 1.640 28 residues pruned to eliminate duplicates Z: 20 24.447 2.035 0.739 0.761 1.000 0.737 CB 1.257 18 residues pruned to eliminate duplicates Z: 7 13.393 1.816 0.922 0.690 1.000 0.833 CA 1.316 7 residues pruned to eliminate duplicates Z: 14 27.278 2.344 0.961 0.908 0.769 0.385 CB 1.519 14 residues pruned to eliminate duplicates Z: 13 40.209 2.257 1.185 0.924 1.000 0.917 CA 1.653 13 residues pruned to eliminate duplicates Z: 17 31.459 2.046 1.036 0.841 0.812 0.625 CA 1.734 17 residues pruned to eliminate duplicates Z: 51 22.299 1.964 0.631 0.413 0.900 0.660 CB 1.199 51 residues pruned to eliminate duplicates Z: 12 20.290 2.008 0.546 0.867 0.909 0.636 CA 1.585 12 residues pruned to eliminate duplicates Z: 9 7.177 1.847 0.798 0.528 0.625 0.625 CB 1.189 9 residues pruned to eliminate duplicates Z: 17 28.775 2.156 0.688 0.782 1.000 0.625 CB 1.542 19 residues pruned to eliminate duplicates Z: 16 27.618 2.379 0.975 0.798 0.800 0.400 CB 1.461 16 residues pruned to eliminate duplicates Z: 33 29.817 2.383 0.754 0.421 0.781 0.500 CB 1.753 33 residues pruned to eliminate duplicates Z: 16 29.904 2.132 0.750 0.838 0.933 0.600 CB 1.657 16 residues pruned to eliminate duplicates Z: 28 29.382 2.227 0.550 0.695 0.926 0.704 CB 1.481 25 residues pruned to eliminate duplicates Z: 17 21.974 2.094 0.644 0.815 0.750 0.500 CA 1.618 17 residues pruned to eliminate duplicates Z: 18 23.888 2.188 0.485 0.812 0.882 0.647 CB 1.539 18 residues pruned to eliminate duplicates Z: 19 25.189 2.157 0.379 0.781 0.944 0.556 CB 1.650 19 residues pruned to eliminate duplicates Z: 111 53.979 2.211 0.813 0.464 0.909 0.564 CB 1.465 111 residues pruned to eliminate duplicates Z: 15 28.837 2.114 0.594 0.854 0.929 0.786 CB 1.819 15 residues pruned to eliminate duplicates Z: 26 40.647 2.391 0.904 0.625 0.920 0.600 CB 1.725 26 residues pruned to eliminate duplicates Z: 14 40.726 2.304 1.329 0.762 1.000 0.615 CB 1.667 14 residues pruned to eliminate duplicates Z: 112 62.910 2.193 0.873 0.513 0.919 0.622 CB 1.562 125 residues pruned to eliminate duplicates Z: 16 22.371 2.114 0.413 0.805 0.867 0.600 CB 1.710 16 residues pruned to eliminate duplicates Z: 50 40.600 2.210 0.809 0.456 0.939 0.592 CB 1.617 50 residues pruned to eliminate duplicates Z: 21 26.604 2.225 0.563 0.734 0.950 0.600 CB 1.460 21 residues pruned to eliminate duplicates Z: 93 72.671 2.500 0.970 0.507 0.859 0.587 CB 1.779 93 residues pruned to eliminate duplicates Z: 16 33.198 2.345 0.879 0.887 0.933 0.533 CB 1.503 16 residues pruned to eliminate duplicates Z: 28 54.408 2.491 1.306 0.676 0.963 0.667 CB 1.610 30 residues pruned to eliminate duplicates Z: 12 27.381 2.250 0.785 0.920 0.909 0.909 CA 1.592 12 residues pruned to eliminate duplicates Z: 19 22.726 2.129 0.404 0.766 1.000 0.667 CB 1.415 19 residues pruned to eliminate duplicates Z: 19 22.839 2.164 0.470 0.799 0.889 0.722 CB 1.465 19 residues pruned to eliminate duplicates Z: 43 43.701 2.241 1.001 0.521 0.976 0.738 CB 1.509 43 residues pruned to eliminate duplicates Z: 17 23.671 2.019 0.616 0.833 0.875 0.875 CA 1.555 17 residues pruned to eliminate duplicates Z: 61 61.753 2.479 1.008 0.550 0.883 0.633 CB 1.726 61 residues pruned to eliminate duplicates Z: 32 26.931 1.911 0.754 0.644 0.935 0.710 CB 1.349 32 residues pruned to eliminate duplicates Z: 11 34.421 2.422 0.883 0.867 0.900 0.900 CA 1.939 11 residues pruned to eliminate duplicates Z: 14 31.073 2.232 0.749 0.845 1.000 0.538 CB 1.641 14 residues pruned to eliminate duplicates Z: 16 20.345 2.196 0.371 0.747 0.867 0.600 CB 1.615 16 residues pruned to eliminate duplicates Z: 41 42.442 2.417 0.849 0.523 0.875 0.650 CB 1.677 41 residues pruned to eliminate duplicates Z: 14 40.452 2.382 1.014 0.877 1.000 0.846 CB 1.698 14 residues pruned to eliminate duplicates Z: 16 19.725 2.138 0.276 0.911 1.000 0.867 CB 1.323 16 residues pruned to eliminate duplicates Z: 15 37.942 2.422 1.106 0.863 0.929 0.571 CB 1.571 15 residues pruned to eliminate duplicates Z: 123 74.682 2.318 0.944 0.500 0.918 0.582 CB 1.635 123 residues pruned to eliminate duplicates Z: 18 25.556 2.156 0.612 0.698 0.882 0.647 CA 1.687 18 residues pruned to eliminate duplicates Z: 16 28.269 2.155 0.650 0.922 1.000 0.533 CB 1.444 16 residues pruned to eliminate duplicates Z: 19 22.897 2.131 0.489 0.791 1.000 0.611 CB 1.318 19 residues pruned to eliminate duplicates Z: 11 41.411 2.438 1.027 0.882 1.000 0.700 CB 1.917 11 residues pruned to eliminate duplicates Z: 7 11.737 1.985 0.965 0.681 0.833 0.833 CB 1.248 Z: 8 8.548 1.814 0.290 0.811 0.857 0.571 CB 1.229 8 residues pruned to eliminate duplicates Z: 83 45.302 2.185 0.774 0.451 0.890 0.537 CB 1.524 83 residues pruned to eliminate duplicates Z: 16 31.792 2.219 0.812 0.905 0.933 0.667 CB 1.557 16 residues pruned to eliminate duplicates Z: 12 10.877 1.699 0.510 0.577 1.000 0.818 CB 1.187 Z: 9 2.968 1.853 0.410 0.269 0.500 0.500 CB 1.045 9 residues pruned to eliminate duplicates Z: 12 28.739 2.280 0.774 0.919 1.000 0.455 CB 1.509 12 residues pruned to eliminate duplicates Z: 6 5.991 1.802 0.071 0.823 1.000 1.000 CA 1.050 6 residues pruned to eliminate duplicates Z: 34 37.268 2.350 0.931 0.511 0.879 0.667 CB 1.609 35 residues pruned to eliminate duplicates Z: 84 67.403 2.353 1.040 0.525 0.928 0.590 CB 1.621 84 residues pruned to eliminate duplicates Z: 14 22.761 2.271 0.497 0.847 0.923 0.923 CB 1.493 14 residues pruned to eliminate duplicates Z: 53 28.865 1.992 0.500 0.585 0.923 0.615 CB 1.337 63 residues pruned to eliminate duplicates Z: 15 8.162 1.664 0.262 0.410 0.929 0.429 CB 1.230 15 residues pruned to eliminate duplicates Z: 47 46.039 2.306 0.933 0.459 0.935 0.609 CB 1.698 54 residues pruned to eliminate duplicates Z: 13 18.283 2.092 0.460 0.838 0.833 0.750 CB 1.551 13 residues pruned to eliminate duplicates Z: 10 10.322 1.569 0.452 0.872 1.000 0.889 CB 1.102 Z: 12 14.409 1.720 0.390 0.893 0.909 0.818 CA 1.435 12 residues pruned to eliminate duplicates Z: 28 28.183 2.211 0.504 0.713 0.926 0.630 CB 1.453 28 residues pruned to eliminate duplicates Z: 33 31.703 2.149 0.551 0.787 0.906 0.719 CB 1.442 33 residues pruned to eliminate duplicates Z: 18 28.825 2.201 0.520 0.802 0.941 0.706 CB 1.704 16 residues pruned to eliminate duplicates Z: 11 14.768 1.944 0.473 0.750 0.800 0.500 CB 1.631 11 residues pruned to eliminate duplicates Z: 11 16.863 1.923 0.536 0.819 0.900 0.700 CA 1.520 11 residues pruned to eliminate duplicates Z: 44 33.971 2.100 0.842 0.470 0.907 0.558 CB 1.523 44 residues pruned to eliminate duplicates Z: 26 40.173 2.320 1.030 0.576 0.880 0.640 CB 1.802 26 residues pruned to eliminate duplicates Z: 11 15.306 1.789 0.455 0.885 1.000 0.800 CB 1.342 11 residues pruned to eliminate duplicates Z: 13 21.500 2.331 0.406 0.821 0.833 0.667 CB 1.720 13 residues pruned to eliminate duplicates Z: 23 20.586 2.170 0.680 0.387 0.909 0.727 CB 1.492 23 residues pruned to eliminate duplicates Z: 10 10.748 1.622 0.518 0.882 1.000 0.889 CB 1.053 10 residues pruned to eliminate duplicates Z: 36 18.118 1.827 0.499 0.512 0.886 0.714 CB 1.248 36 residues pruned to eliminate duplicates Z: 7 9.464 1.962 0.444 0.870 0.833 0.833 CB 1.194 7 residues pruned to eliminate duplicates Z: 16 22.967 2.137 0.820 0.490 1.000 0.800 CB 1.541 16 residues pruned to eliminate duplicates Z: 57 39.236 2.125 0.675 0.601 0.893 0.607 CB 1.498 69 residues pruned to eliminate duplicates Z: 47 42.170 2.312 0.766 0.446 0.957 0.478 CB 1.683 47 residues pruned to eliminate duplicates Z: 20 8.895 1.689 0.208 0.401 0.895 0.421 CB 1.241 20 residues pruned to eliminate duplicates Z: 116 60.966 2.211 0.871 0.496 0.922 0.626 CB 1.497 116 residues pruned to eliminate duplicates Z: 12 13.084 1.907 0.827 0.476 0.909 0.545 CA 1.276 11 residues pruned to eliminate duplicates Z: 10 8.602 1.846 0.677 0.372 0.889 0.667 CB 1.195 10 residues pruned to eliminate duplicates Z: 17 31.097 2.377 0.560 0.786 1.000 0.750 CB 1.630 17 residues pruned to eliminate duplicates Z: 10 5.266 1.470 0.430 0.803 0.778 0.556 CB 0.824 10 residues pruned to eliminate duplicates Z: 26 40.977 2.421 0.973 0.533 1.000 0.720 CB 1.661 26 residues pruned to eliminate duplicates Z: 15 32.013 2.283 0.813 0.932 1.000 0.643 CB 1.443 16 residues pruned to eliminate duplicates Z: 12 16.928 1.891 0.642 0.785 0.818 0.545 CA 1.562 12 residues pruned to eliminate duplicates Z: 9 28.454 2.498 0.554 0.926 1.000 0.625 CB 1.818 9 residues pruned to eliminate duplicates Z: 12 33.686 2.322 0.783 0.894 1.000 0.818 CB 1.760 12 residues pruned to eliminate duplicates Z: 8 8.673 2.011 0.538 0.461 0.714 0.571 CA 1.545 8 residues pruned to eliminate duplicates Z: 30 25.760 2.062 0.811 0.431 0.931 0.552 CB 1.478 30 residues pruned to eliminate duplicates Z: 7 6.711 1.840 0.662 0.466 0.833 0.667 CB 1.113 Z: 12 17.818 1.907 0.438 0.797 1.000 0.455 CB 1.511 12 residues pruned to eliminate duplicates Z: 12 5.891 1.561 0.623 0.372 0.818 0.727 N 0.983 Z: 20 27.213 2.261 0.553 0.810 1.000 0.789 CB 1.358 20 residues pruned to eliminate duplicates Z: 43 40.449 2.135 0.954 0.478 0.952 0.548 CB 1.606 43 residues pruned to eliminate duplicates Z: 15 24.374 2.157 0.606 0.839 0.857 0.571 CB 1.639 15 residues pruned to eliminate duplicates Z: 14 29.001 2.381 0.755 0.905 0.923 0.769 CB 1.484 14 residues pruned to eliminate duplicates Z: 23 24.637 2.406 0.916 0.306 0.773 0.409 CB 1.829 23 residues pruned to eliminate duplicates Z: 10 9.222 1.788 0.029 0.839 0.889 0.778 CB 1.403 10 residues pruned to eliminate duplicates Z: 13 27.002 2.026 0.971 0.856 0.833 0.750 CB 1.727 13 residues pruned to eliminate duplicates Z: 8 7.190 1.855 0.014 0.853 0.857 0.714 CB 1.246 8 residues pruned to eliminate duplicates Z: 15 25.349 2.186 0.652 0.807 0.857 0.643 CB 1.674 15 residues pruned to eliminate duplicates Z: 17 13.111 1.927 0.637 0.509 0.938 0.688 CB 1.099 17 residues pruned to eliminate duplicates Z: 40 35.659 2.124 0.870 0.482 0.949 0.641 CB 1.543 40 residues pruned to eliminate duplicates Z: 21 17.341 1.975 0.369 0.632 0.950 0.600 CB 1.334 19 residues pruned to eliminate duplicates Z: 92 51.010 2.209 0.815 0.446 0.912 0.505 CB 1.546 92 residues pruned to eliminate duplicates Z: 11 9.235 1.532 0.478 0.907 1.000 0.900 CB 0.917 Z: 25 39.454 2.404 0.944 0.509 0.917 0.542 CB 1.862 25 residues pruned to eliminate duplicates Z: 11 21.347 2.035 0.585 0.869 0.900 0.800 CB 1.699 11 residues pruned to eliminate duplicates Z: 93 49.191 2.187 0.826 0.465 0.891 0.598 CB 1.494 93 residues pruned to eliminate duplicates Z: 16 26.381 2.109 0.904 0.910 0.933 0.600 CB 1.289 16 residues pruned to eliminate duplicates Z: 115 84.304 2.488 0.931 0.527 0.895 0.588 CB 1.788 116 residues pruned to eliminate duplicates Z: 23 15.287 1.778 0.487 0.527 0.909 0.636 CB 1.320 23 residues pruned to eliminate duplicates Z: 21 18.305 2.025 0.742 0.437 0.900 0.650 CB 1.376 21 residues pruned to eliminate duplicates Z: 14 35.701 2.362 1.063 0.904 0.923 0.462 CB 1.567 14 residues pruned to eliminate duplicates Z: 45 45.633 2.303 0.860 0.502 0.955 0.545 CB 1.679 45 residues pruned to eliminate duplicates Z: 13 25.196 2.235 0.799 0.877 0.917 0.833 CB 1.433 13 residues pruned to eliminate duplicates Z: 15 29.363 2.209 1.161 0.894 0.929 0.286 CB 1.270 15 residues pruned to eliminate duplicates Z: 8 26.564 2.072 1.224 0.890 1.000 0.714 CB 1.568 8 residues pruned to eliminate duplicates Z: 30 43.203 2.363 1.116 0.587 0.897 0.483 CB 1.647 30 residues pruned to eliminate duplicates Z: 12 25.294 2.231 0.660 0.853 1.000 0.727 CB 1.521 12 residues pruned to eliminate duplicates Z: 74 46.310 2.221 0.774 0.553 0.932 0.616 CB 1.403 78 residues pruned to eliminate duplicates Z: 6 3.631 1.630 0.206 0.296 0.800 0.400 CB 1.297 Z: 115 82.586 2.457 0.984 0.486 0.921 0.632 CB 1.747 115 residues pruned to eliminate duplicates Z: 12 33.414 2.190 0.946 0.872 1.000 0.455 CB 1.722 12 residues pruned to eliminate duplicates Z: 24 18.434 1.833 0.819 0.474 0.913 0.565 CB 1.297 24 residues pruned to eliminate duplicates Z: 11 10.991 1.553 0.674 0.879 1.000 0.500 CB 0.969 11 residues pruned to eliminate duplicates Z: 15 26.356 2.081 1.098 0.553 1.000 0.714 CB 1.532 15 residues pruned to eliminate duplicates Z: 11 18.444 2.160 0.403 0.811 1.000 0.500 CB 1.468 11 residues pruned to eliminate duplicates Z: 19 14.386 1.988 0.236 0.575 0.889 0.667 CB 1.444 19 residues pruned to eliminate duplicates Z: 14 28.462 2.353 0.624 0.758 0.923 0.385 CB 1.779 14 residues pruned to eliminate duplicates Z: 82 78.570 2.466 1.035 0.558 0.926 0.593 CB 1.775 82 residues pruned to eliminate duplicates Z: 71 47.064 2.287 0.813 0.490 0.900 0.614 CB 1.522 71 residues pruned to eliminate duplicates Z: 8 4.496 1.476 -0.019 0.792 0.857 0.714 CB 1.060 8 residues pruned to eliminate duplicates Z: 7 3.455 1.645 -0.086 0.461 0.833 0.500 CB 1.170 Z: 8 8.250 1.765 0.366 0.776 0.857 0.571 CB 1.182 8 residues pruned to eliminate duplicates Z: 31 31.034 2.254 0.943 0.529 0.833 0.600 CB 1.509 29 residues pruned to eliminate duplicates Z: 52 33.803 2.152 0.515 0.579 0.961 0.765 CB 1.401 52 residues pruned to eliminate duplicates Z: 29 48.367 2.567 1.041 0.559 0.929 0.750 CB 1.775 29 residues pruned to eliminate duplicates Z: 20 23.706 2.272 0.357 0.826 0.947 0.684 CB 1.404 20 residues pruned to eliminate duplicates Z: 8 6.809 1.739 0.124 0.660 0.857 0.857 O 1.325 Z: 10 11.346 1.738 0.277 0.821 1.000 0.889 CB 1.290 10 residues pruned to eliminate duplicates Z: 12 14.342 1.884 0.500 0.844 0.727 0.727 CA 1.567 12 residues pruned to eliminate duplicates Z: 13 27.435 2.149 0.788 0.859 0.917 0.667 CA 1.655 13 residues pruned to eliminate duplicates Z: 14 21.669 2.152 0.303 0.906 0.923 0.846 CB 1.651 14 residues pruned to eliminate duplicates Z: 7 7.038 1.726 0.137 0.895 1.000 1.000 CB 1.050 7 residues pruned to eliminate duplicates Z: 13 22.245 2.339 0.793 0.440 0.917 0.667 CB 1.778 13 residues pruned to eliminate duplicates Z: 8 9.324 1.786 0.550 0.859 0.857 0.714 CB 1.093 8 residues pruned to eliminate duplicates Z: 11 22.726 2.119 1.097 0.627 0.900 0.600 CA 1.594 11 residues pruned to eliminate duplicates Z: 11 10.372 1.557 0.590 0.899 1.000 0.700 CB 0.947 11 residues pruned to eliminate duplicates Z: 7 4.457 1.784 0.270 0.379 0.833 0.500 CB 1.096 7 residues pruned to eliminate duplicates Z: 48 36.027 2.168 0.755 0.582 0.872 0.660 CB 1.464 48 residues pruned to eliminate duplicates Z: 11 8.294 1.674 0.135 0.821 0.900 0.400 CB 1.161 11 residues pruned to eliminate duplicates Z: 10 6.063 1.623 0.479 0.483 0.889 0.667 CB 0.963 10 residues pruned to eliminate duplicates Z: 7 4.791 1.641 0.759 0.527 1.000 1.000 CB 0.660 7 residues pruned to eliminate duplicates Z: 11 22.366 1.978 0.734 0.877 0.900 0.700 CA 1.663 11 residues pruned to eliminate duplicates Z: 7 5.970 1.613 0.756 0.652 1.000 0.500 CB 0.747 7 residues pruned to eliminate duplicates Z: 18 9.038 1.627 0.513 0.426 0.824 0.588 CB 1.168 18 residues pruned to eliminate duplicates Z: 18 21.103 2.366 0.700 0.762 0.765 0.294 CB 1.319 18 residues pruned to eliminate duplicates Z: 29 50.090 2.558 1.035 0.543 0.893 0.679 CB 1.952 29 residues pruned to eliminate duplicates Z: 35 21.863 2.104 0.503 0.477 0.882 0.529 CB 1.377 35 residues pruned to eliminate duplicates Z: 116 73.264 2.417 0.834 0.480 0.922 0.574 CB 1.707 116 residues pruned to eliminate duplicates Z: 35 25.860 2.202 0.571 0.459 0.882 0.588 CB 1.515 35 residues pruned to eliminate duplicates Z: 7 6.889 1.593 0.250 0.840 1.000 0.833 CB 1.054 7 residues pruned to eliminate duplicates Z: 10 7.664 1.690 0.201 0.783 1.000 0.556 CB 0.981 10 residues pruned to eliminate duplicates Z: 6 10.849 2.207 0.565 0.743 1.000 0.600 CB 1.130 6 residues pruned to eliminate duplicates Z: 7 16.266 1.922 1.024 0.655 1.000 0.833 C 1.477 7 residues pruned to eliminate duplicates Z: 14 10.705 1.541 0.361 0.789 1.000 0.538 CB 1.098 14 residues pruned to eliminate duplicates Z: 52 30.344 2.122 0.447 0.561 0.941 0.647 CB 1.386 52 residues pruned to eliminate duplicates Z: 11 8.792 1.582 0.208 0.823 1.000 0.600 CB 1.099 11 residues pruned to eliminate duplicates Z: 7 4.420 1.927 0.583 0.645 0.667 0.667 N 0.775 Z: 8 10.107 2.154 0.217 0.823 0.714 0.429 CA 1.542 8 residues pruned to eliminate duplicates Z: 73 49.124 2.290 0.791 0.470 0.917 0.556 CB 1.587 73 residues pruned to eliminate duplicates Z: 13 7.686 1.582 0.335 0.773 0.833 0.667 CB 0.991 13 residues pruned to eliminate duplicates Z: 13 25.151 2.100 0.504 0.922 1.000 1.000 CA 1.616 13 residues pruned to eliminate duplicates Z: 9 20.291 2.134 0.656 0.918 1.000 1.000 CB 1.432 9 residues pruned to eliminate duplicates Z: 38 16.016 1.799 0.474 0.521 0.838 0.514 CB 1.161 38 residues pruned to eliminate duplicates Z: 9 22.878 2.142 0.770 0.861 1.000 0.750 CA 1.567 9 residues pruned to eliminate duplicates Z: 46 31.616 2.151 0.852 0.498 0.867 0.444 CB 1.369 46 residues pruned to eliminate duplicates Z: 10 7.501 1.555 0.163 0.829 1.000 0.667 CB 1.040 10 residues pruned to eliminate duplicates Z: 18 28.343 2.168 0.487 0.800 1.000 0.647 CB 1.640 18 residues pruned to eliminate duplicates Z: 52 30.602 2.019 0.707 0.531 0.902 0.588 CB 1.337 52 residues pruned to eliminate duplicates Z: 10 8.423 1.558 0.163 0.905 1.000 0.889 CB 1.103 10 residues pruned to eliminate duplicates Z: 8 11.577 1.686 0.807 0.850 0.857 0.714 CB 1.241 8 residues pruned to eliminate duplicates Z: 11 8.729 1.723 0.183 0.811 0.900 0.700 CB 1.148 11 residues pruned to eliminate duplicates Z: 92 66.268 2.410 0.936 0.471 0.901 0.560 CB 1.702 92 residues pruned to eliminate duplicates Z: 9 21.318 2.124 0.949 0.834 0.875 0.500 CB 1.560 9 residues pruned to eliminate duplicates Z: 116 70.661 2.405 0.871 0.467 0.922 0.565 CB 1.643 116 residues pruned to eliminate duplicates Z: 10 5.385 1.640 0.176 0.552 0.889 0.556 CB 0.996 Z: 14 12.661 1.986 0.708 0.263 0.923 0.615 CB 1.471 14 residues pruned to eliminate duplicates Z: 8 5.930 1.848 -0.030 0.522 0.857 0.714 CB 1.427 8 residues pruned to eliminate duplicates Z: 7 3.700 1.391 0.006 0.775 1.000 0.833 CB 0.846 6 residues pruned to eliminate duplicates Z: 11 10.324 1.723 0.192 0.832 1.000 0.600 CB 1.193 11 residues pruned to eliminate duplicates Z: 15 12.683 1.735 0.516 0.549 1.000 0.786 CB 1.229 15 residues pruned to eliminate duplicates Z: 16 37.531 2.252 1.081 0.703 1.000 0.800 CB 1.718 16 residues pruned to eliminate duplicates Z: 17 26.592 2.166 0.495 0.834 0.875 0.625 CB 1.758 17 residues pruned to eliminate duplicates Z: 43 41.277 2.337 0.933 0.476 0.929 0.571 CB 1.556 43 residues pruned to eliminate duplicates Z: 13 46.427 2.430 1.186 0.864 1.000 0.583 CB 1.850 13 residues pruned to eliminate duplicates Z: 26 41.151 2.431 0.994 0.595 0.920 0.600 CB 1.686 26 residues pruned to eliminate duplicates Z: 29 58.082 2.458 1.257 0.677 0.964 0.607 CB 1.743 29 residues pruned to eliminate duplicates Z: 14 25.385 2.113 0.658 0.732 1.000 0.615 CB 1.631 14 residues pruned to eliminate duplicates Z: 17 13.366 1.703 0.592 0.540 0.938 0.750 CB 1.264 17 residues pruned to eliminate duplicates Z: 10 9.088 1.513 0.682 0.580 1.000 0.889 N 1.102 11 residues pruned to eliminate duplicates Z: 113 59.040 2.248 0.790 0.503 0.920 0.661 CB 1.503 113 residues pruned to eliminate duplicates Z: 12 20.834 2.100 0.451 0.777 1.000 0.727 CB 1.614 12 residues pruned to eliminate duplicates Z: 26 27.401 2.255 0.798 0.527 0.880 0.640 CB 1.496 26 residues pruned to eliminate duplicates Z: 30 54.318 2.387 1.166 0.685 0.966 0.552 CB 1.705 30 residues pruned to eliminate duplicates Z: 18 11.746 1.936 0.678 0.460 0.941 0.588 CB 0.970 18 residues pruned to eliminate duplicates Z: 20 27.968 2.319 1.153 0.325 0.895 0.474 CA 1.740 20 residues pruned to eliminate duplicates Z: 19 13.210 1.817 0.399 0.615 1.000 0.778 CB 1.098 19 residues pruned to eliminate duplicates Z: 15 10.350 1.848 0.346 0.351 1.000 0.500 CB 1.307 15 residues pruned to eliminate duplicates Z: 20 15.855 2.069 0.577 0.380 0.895 0.421 CB 1.416 20 residues pruned to eliminate duplicates Z: 58 53.860 2.352 1.031 0.490 0.965 0.579 CB 1.564 58 residues pruned to eliminate duplicates Z: 19 11.333 1.957 0.545 0.405 0.778 0.444 CB 1.255 19 residues pruned to eliminate duplicates Z: 6 6.634 1.564 0.741 0.710 1.000 0.600 CA 0.900 Z: 7 3.892 1.509 0.745 0.249 0.833 0.333 CA 0.966 7 residues pruned to eliminate duplicates Z: 6 4.900 1.482 0.702 0.627 0.800 0.800 N 0.963 Z: 26 29.763 2.142 0.536 0.718 0.960 0.680 CB 1.547 26 residues pruned to eliminate duplicates Z: 11 11.672 1.748 0.252 0.889 1.000 0.900 CB 1.215 11 residues pruned to eliminate duplicates Z: 18 15.608 1.977 0.527 0.487 1.000 0.588 CB 1.271 18 residues pruned to eliminate duplicates Z: 25 33.407 2.335 0.993 0.563 0.875 0.583 CB 1.575 25 residues pruned to eliminate duplicates Z: 62 55.844 2.423 0.902 0.518 0.902 0.607 CB 1.690 62 residues pruned to eliminate duplicates Z: 25 34.359 2.389 0.956 0.565 0.917 0.708 CB 1.538 25 residues pruned to eliminate duplicates Z: 9 9.132 1.826 0.123 0.803 0.875 0.625 CB 1.381 9 residues pruned to eliminate duplicates Z: 22 21.188 1.989 0.604 0.578 0.905 0.667 CB 1.486 33 residues pruned to eliminate duplicates Z: 10 10.049 1.595 0.468 0.863 0.889 0.778 CB 1.181 Z: 6 7.327 1.758 0.106 0.826 1.000 1.000 CB 1.270 6 residues pruned to eliminate duplicates Z: 7 4.116 1.787 -0.206 0.681 1.000 0.500 CB 1.002 Z: 9 6.679 1.462 0.525 0.864 1.000 0.625 CB 0.776 Z: 8 4.764 2.152 0.813 0.193 0.714 0.286 CB 0.933 8 residues pruned to eliminate duplicates Z: 59 53.955 2.460 0.885 0.475 0.879 0.603 CB 1.782 59 residues pruned to eliminate duplicates Z: 75 41.099 2.182 0.845 0.516 0.838 0.446 CB 1.393 75 residues pruned to eliminate duplicates Z: 16 35.786 2.266 0.728 0.880 0.933 0.667 CA 1.832 16 residues pruned to eliminate duplicates Z: 78 51.330 2.190 0.838 0.600 0.961 0.545 CB 1.375 78 residues pruned to eliminate duplicates Z: 14 12.317 1.976 0.674 0.430 0.846 0.538 CB 1.312 14 residues pruned to eliminate duplicates Z: 57 35.923 2.087 0.573 0.612 0.911 0.661 CB 1.444 57 residues pruned to eliminate duplicates Z: 9 12.560 1.819 0.825 0.713 0.875 0.750 CB 1.260 9 residues pruned to eliminate duplicates Z: 22 20.723 2.059 0.498 0.714 0.857 0.524 CB 1.409 22 residues pruned to eliminate duplicates Z: 8 10.590 1.855 0.456 0.884 1.000 0.857 CB 1.071 8 residues pruned to eliminate duplicates Z: 19 14.384 1.952 0.553 0.441 0.944 0.778 CB 1.258 19 residues pruned to eliminate duplicates Z: 75 51.947 2.243 0.829 0.587 0.932 0.581 CB 1.452 75 residues pruned to eliminate duplicates Z: 22 25.862 2.067 0.403 0.753 0.952 0.524 CB 1.630 22 residues pruned to eliminate duplicates Z: 10 12.304 1.987 0.531 0.477 1.000 0.778 CB 1.379 Z: 45 41.733 2.218 0.844 0.493 0.932 0.591 CB 1.662 45 residues pruned to eliminate duplicates Z: 44 43.110 2.254 0.835 0.490 0.977 0.628 CB 1.642 44 residues pruned to eliminate duplicates Z: 58 57.268 2.362 0.993 0.527 0.947 0.614 CB 1.656 58 residues pruned to eliminate duplicates Z: 27 17.569 1.900 0.723 0.389 0.885 0.577 CB 1.339 27 residues pruned to eliminate duplicates Z: 13 9.338 1.631 0.510 0.827 0.833 0.417 CB 0.990 13 residues pruned to eliminate duplicates Z: 38 29.119 2.179 0.511 0.585 0.919 0.703 CB 1.458 38 residues pruned to eliminate duplicates Z: 11 16.950 1.891 0.722 0.899 1.000 0.700 CB 1.176 11 residues pruned to eliminate duplicates Z: 6 4.976 1.484 0.572 0.555 1.000 0.600 CA 0.904 Z: 17 22.819 2.385 0.277 0.715 0.938 0.750 CB 1.644 17 residues pruned to eliminate duplicates Z: 14 22.971 2.066 0.456 0.901 0.846 0.769 CB 1.787 14 residues pruned to eliminate duplicates Z: 23 34.425 2.342 1.052 0.542 0.864 0.591 CB 1.696 23 residues pruned to eliminate duplicates Z: 15 8.983 1.557 0.214 0.768 0.929 0.714 CB 1.079 15 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 43 35.371 2.134 0.826 0.475 0.905 0.571 CB 1.588 43 residues pruned to eliminate duplicates Z: 114 62.759 2.277 0.869 0.488 0.885 0.619 CB 1.587 114 residues pruned to eliminate duplicates Z: 14 8.358 1.683 0.375 0.443 0.846 0.462 CB 1.256 14 residues pruned to eliminate duplicates Z: 43 35.148 2.128 0.832 0.507 0.905 0.667 CB 1.526 43 residues pruned to eliminate duplicates Z: 23 16.802 2.005 0.640 0.362 0.955 0.545 CB 1.324 23 residues pruned to eliminate duplicates Z: 12 8.686 1.744 0.381 0.476 1.000 0.727 CB 1.114 12 residues pruned to eliminate duplicates Z: 43 36.191 2.130 0.898 0.488 0.929 0.548 CB 1.506 43 residues pruned to eliminate duplicates Z: 27 18.807 1.935 0.912 0.378 0.885 0.654 CB 1.283 27 residues pruned to eliminate duplicates Z: 7 4.558 1.752 0.259 0.382 1.000 0.500 CB 0.957 7 residues pruned to eliminate duplicates Z: 85 54.447 2.219 0.836 0.500 0.940 0.607 CB 1.551 85 residues pruned to eliminate duplicates Z: 58 38.306 2.044 0.740 0.523 0.930 0.614 CB 1.501 58 residues pruned to eliminate duplicates Z: 36 39.551 2.220 0.930 0.503 0.943 0.629 CB 1.650 36 residues pruned to eliminate duplicates Z: 90 53.693 2.237 0.829 0.477 0.921 0.607 CB 1.544 90 residues pruned to eliminate duplicates Z: 49 38.329 2.081 0.954 0.459 0.917 0.667 CB 1.547 49 residues pruned to eliminate duplicates Z: 44 28.003 2.031 0.662 0.467 0.884 0.605 CB 1.481 44 residues pruned to eliminate duplicates Z: 45 34.287 2.103 0.840 0.452 0.909 0.545 CB 1.544 45 residues pruned to eliminate duplicates Z: 27 18.349 1.935 0.948 0.411 0.846 0.577 CB 1.239 27 residues pruned to eliminate duplicates Z: 70 47.480 2.248 0.827 0.480 0.913 0.623 CB 1.556 70 residues pruned to eliminate duplicates Z: 108 57.931 2.290 0.821 0.481 0.869 0.579 CB 1.575 108 residues pruned to eliminate duplicates Z: 99 60.720 2.296 0.886 0.480 0.929 0.571 CB 1.556 99 residues pruned to eliminate duplicates Z: 91 51.425 2.216 0.778 0.463 0.933 0.622 CB 1.530 91 residues pruned to eliminate duplicates Z: 86 51.284 2.212 0.797 0.488 0.929 0.553 CB 1.525 86 residues pruned to eliminate duplicates Z: 92 52.664 2.210 0.798 0.469 0.934 0.637 CB 1.535 92 residues pruned to eliminate duplicates Z: 86 54.397 2.215 0.882 0.495 0.918 0.588 CB 1.550 86 residues pruned to eliminate duplicates Z: 44 36.562 2.119 0.929 0.502 0.907 0.558 CB 1.501 44 residues pruned to eliminate duplicates Z: 89 52.794 2.234 0.779 0.474 0.932 0.591 CB 1.560 89 residues pruned to eliminate duplicates Z: 29 47.901 2.326 1.110 0.552 0.964 0.679 CB 1.819 29 residues pruned to eliminate duplicates Z: 42 41.735 2.169 0.851 0.499 1.000 0.659 CB 1.625 42 residues pruned to eliminate duplicates Z: 44 36.408 2.088 0.830 0.490 0.953 0.628 CB 1.539 44 residues pruned to eliminate duplicates Z: 44 37.647 2.073 0.862 0.493 0.977 0.581 CB 1.534 44 residues pruned to eliminate duplicates Z: 44 40.841 2.104 1.008 0.505 0.953 0.581 CB 1.538 44 residues pruned to eliminate duplicates Z: 25 39.268 2.310 1.142 0.512 0.875 0.625 CB 1.831 25 residues pruned to eliminate duplicates Z: 24 39.125 2.236 0.933 0.575 1.000 0.652 CB 1.755 24 residues pruned to eliminate duplicates Z: 113 60.757 2.278 0.864 0.474 0.884 0.616 CB 1.570 113 residues pruned to eliminate duplicates Z: 80 54.336 2.250 0.936 0.471 0.899 0.570 CB 1.609 80 residues pruned to eliminate duplicates Z: 43 40.948 2.148 1.032 0.488 0.929 0.643 CB 1.578 43 residues pruned to eliminate duplicates Z: 25 39.071 2.254 1.146 0.507 0.917 0.625 CB 1.786 25 residues pruned to eliminate duplicates Z: 23 41.273 2.315 1.163 0.540 0.955 0.545 CB 1.771 23 residues pruned to eliminate duplicates Z: 7 6.820 1.761 0.334 0.486 1.000 0.667 CB 1.203 7 residues pruned to eliminate duplicates Z: 53 54.691 2.347 0.972 0.547 0.942 0.615 CB 1.661 53 residues pruned to eliminate duplicates Z: 98 61.599 2.294 0.896 0.494 0.907 0.649 CB 1.594 98 residues pruned to eliminate duplicates Z: 93 65.090 2.353 0.907 0.507 0.924 0.554 CB 1.625 93 residues pruned to eliminate duplicates Z: 72 51.527 2.299 0.821 0.477 0.930 0.592 CB 1.608 72 residues pruned to eliminate duplicates Z: 50 36.508 2.245 0.738 0.466 0.918 0.592 CB 1.507 50 residues pruned to eliminate duplicates Z: 73 51.246 2.283 0.843 0.482 0.889 0.625 CB 1.644 73 residues pruned to eliminate duplicates Z: 51 35.843 2.280 0.728 0.433 0.920 0.580 CB 1.498 51 residues pruned to eliminate duplicates Z: 67 46.954 2.278 0.788 0.472 0.939 0.500 CB 1.554 67 residues pruned to eliminate duplicates Z: 94 57.310 2.311 0.881 0.482 0.882 0.570 CB 1.579 94 residues pruned to eliminate duplicates Z: 73 44.708 2.171 0.752 0.501 0.917 0.611 CB 1.509 73 residues pruned to eliminate duplicates Z: 91 57.539 2.298 0.912 0.521 0.878 0.556 CB 1.540 91 residues pruned to eliminate duplicates Z: 94 67.033 2.324 0.964 0.513 0.925 0.656 CB 1.626 94 residues pruned to eliminate duplicates Z: 94 53.859 2.196 0.818 0.470 0.935 0.570 CB 1.541 94 residues pruned to eliminate duplicates Z: 93 68.652 2.355 0.908 0.532 0.957 0.641 CB 1.614 93 residues pruned to eliminate duplicates Z: 109 58.878 2.233 0.837 0.493 0.907 0.648 CB 1.533 109 residues pruned to eliminate duplicates Z: 92 50.051 2.154 0.876 0.480 0.923 0.538 CB 1.436 92 residues pruned to eliminate duplicates Z: 117 65.531 2.246 0.850 0.500 0.940 0.595 CB 1.559 117 residues pruned to eliminate duplicates Z: 86 53.963 2.217 0.881 0.473 0.929 0.576 CB 1.552 86 residues pruned to eliminate duplicates Z: 45 40.355 2.281 0.871 0.507 0.955 0.636 CB 1.483 45 residues pruned to eliminate duplicates Z: 40 33.617 2.269 0.755 0.457 0.897 0.615 CB 1.575 40 residues pruned to eliminate duplicates Z: 113 62.584 2.268 0.831 0.497 0.929 0.598 CB 1.538 113 residues pruned to eliminate duplicates Z: 45 35.638 2.290 0.790 0.501 0.886 0.591 CB 1.478 45 residues pruned to eliminate duplicates Z: 66 58.190 2.324 0.928 0.524 0.954 0.662 CB 1.649 66 residues pruned to eliminate duplicates Z: 88 44.631 2.170 0.766 0.433 0.931 0.552 CB 1.437 88 residues pruned to eliminate duplicates Z: 35 20.761 2.224 0.474 0.350 0.912 0.441 CB 1.402 35 residues pruned to eliminate duplicates Z: 62 47.768 2.296 0.924 0.469 0.885 0.590 CB 1.614 62 residues pruned to eliminate duplicates Z: 68 46.202 2.196 0.810 0.491 0.955 0.642 CB 1.500 68 residues pruned to eliminate duplicates Z: 60 42.283 2.272 0.890 0.482 0.864 0.593 CB 1.510 60 residues pruned to eliminate duplicates Z: 35 26.993 2.239 0.603 0.425 0.912 0.500 CB 1.529 35 residues pruned to eliminate duplicates Z: 45 36.043 2.302 0.814 0.475 0.909 0.636 CB 1.468 45 residues pruned to eliminate duplicates Z: 115 67.859 2.279 0.890 0.487 0.930 0.544 CB 1.609 115 residues pruned to eliminate duplicates Z: 35 24.531 2.241 0.558 0.463 0.853 0.559 CB 1.468 35 residues pruned to eliminate duplicates Z: 59 42.767 2.286 0.853 0.493 0.914 0.517 CB 1.461 59 residues pruned to eliminate duplicates Z: 36 26.943 2.193 0.578 0.420 0.943 0.657 CB 1.518 36 residues pruned to eliminate duplicates Z: 22 16.768 2.123 0.566 0.333 0.905 0.667 CB 1.460 22 residues pruned to eliminate duplicates Z: 89 44.588 2.157 0.802 0.435 0.886 0.602 CB 1.476 89 residues pruned to eliminate duplicates Z: 16 17.833 2.144 0.577 0.456 0.933 0.800 CB 1.527 16 residues pruned to eliminate duplicates Z: 35 25.928 2.204 0.729 0.474 0.912 0.618 CB 1.313 35 residues pruned to eliminate duplicates Z: 19 18.938 2.127 0.849 0.414 0.833 0.611 CB 1.490 19 residues pruned to eliminate duplicates Z: 24 16.275 2.069 0.625 0.322 0.870 0.565 CB 1.412 24 residues pruned to eliminate duplicates Z: 35 21.922 2.207 0.534 0.398 0.882 0.588 CB 1.402 35 residues pruned to eliminate duplicates Z: 23 20.664 2.089 0.849 0.341 0.909 0.545 CB 1.492 23 residues pruned to eliminate duplicates Z: 23 17.846 2.136 0.735 0.346 0.864 0.636 CB 1.404 23 residues pruned to eliminate duplicates Z: 93 62.829 2.301 0.911 0.511 0.913 0.609 CB 1.614 93 residues pruned to eliminate duplicates Z: 44 23.229 2.058 0.780 0.327 0.860 0.465 CB 1.359 44 residues pruned to eliminate duplicates Z: 20 16.796 2.111 0.772 0.229 0.947 0.579 CB 1.492 20 residues pruned to eliminate duplicates Z: 89 54.581 2.214 0.971 0.451 0.920 0.614 CB 1.523 89 residues pruned to eliminate duplicates Z: 42 39.644 2.296 0.958 0.454 0.951 0.634 CB 1.518 42 residues pruned to eliminate duplicates Z: 31 28.753 2.294 0.988 0.444 0.867 0.500 CB 1.407 31 residues pruned to eliminate duplicates Z: 7 8.149 2.218 1.055 0.183 0.833 0.500 CB 1.282 7 residues pruned to eliminate duplicates Z: 110 50.782 2.180 0.960 0.406 0.890 0.514 CB 1.413 110 residues pruned to eliminate duplicates Z: 23 36.029 2.397 1.015 0.610 0.909 0.636 CB 1.576 23 residues pruned to eliminate duplicates Z: 25 40.172 2.398 1.148 0.600 0.917 0.500 CB 1.579 25 residues pruned to eliminate duplicates Z: 47 36.453 2.222 0.935 0.437 0.870 0.652 CB 1.534 47 residues pruned to eliminate duplicates Z: 26 40.048 2.382 1.041 0.618 0.920 0.720 CB 1.601 26 residues pruned to eliminate duplicates Z: 29 39.159 2.335 1.203 0.531 0.893 0.500 CB 1.563 29 residues pruned to eliminate duplicates Z: 34 35.312 2.325 0.972 0.500 0.848 0.424 CB 1.580 34 residues pruned to eliminate duplicates Z: 98 57.673 2.270 0.895 0.481 0.887 0.577 CB 1.566 98 residues pruned to eliminate duplicates Z: 70 37.517 2.062 0.809 0.489 0.870 0.551 CB 1.408 70 residues pruned to eliminate duplicates Z: 30 32.043 2.308 1.036 0.508 0.897 0.414 CB 1.401 30 residues pruned to eliminate duplicates Z: 28 38.941 2.306 1.167 0.578 0.889 0.667 CB 1.565 28 residues pruned to eliminate duplicates Z: 29 35.611 2.320 1.139 0.531 0.857 0.500 CB 1.535 29 residues pruned to eliminate duplicates Z: 34 34.237 2.289 0.945 0.481 0.879 0.545 CB 1.553 34 residues pruned to eliminate duplicates Z: 28 24.849 2.207 0.917 0.467 0.815 0.481 CB 1.434 28 residues pruned to eliminate duplicates Z: 28 26.179 2.200 0.938 0.508 0.815 0.444 CB 1.438 28 residues pruned to eliminate duplicates Z: 37 35.222 2.233 1.032 0.501 0.833 0.611 CB 1.551 37 residues pruned to eliminate duplicates Z: 28 37.559 2.285 1.182 0.554 0.889 0.704 CB 1.546 28 residues pruned to eliminate duplicates Z: 28 33.080 2.344 1.036 0.567 0.815 0.519 CB 1.534 28 residues pruned to eliminate duplicates Z: 112 65.167 2.235 0.936 0.493 0.928 0.613 CB 1.551 112 residues pruned to eliminate duplicates Z: 23 39.165 2.414 1.025 0.594 0.955 0.682 CB 1.635 23 residues pruned to eliminate duplicates Z: 86 47.647 2.196 0.705 0.541 0.941 0.635 CB 1.409 82 residues pruned to eliminate duplicates Z: 6 4.075 1.477 0.262 0.550 0.800 0.600 CB 1.163 6 residues pruned to eliminate duplicates Z: 82 45.495 2.181 0.695 0.542 0.926 0.617 CB 1.417 82 residues pruned to eliminate duplicates Z: 12 9.859 1.865 0.394 0.701 1.000 0.636 CB 0.952 12 residues pruned to eliminate duplicates Z: 53 35.367 2.132 0.541 0.586 0.981 0.692 CB 1.402 53 residues pruned to eliminate duplicates Z: 38 32.043 2.234 0.700 0.597 0.892 0.486 CB 1.418 38 residues pruned to eliminate duplicates Z: 60 34.796 2.115 0.663 0.533 0.915 0.678 CB 1.363 60 residues pruned to eliminate duplicates Z: 60 34.173 2.140 0.549 0.576 0.915 0.627 CB 1.363 60 residues pruned to eliminate duplicates Z: 16 12.740 1.872 0.296 0.663 1.000 0.667 CB 1.166 16 residues pruned to eliminate duplicates Z: 50 33.860 2.158 0.664 0.560 0.918 0.612 CB 1.384 50 residues pruned to eliminate duplicates Z: 46 28.736 2.106 0.702 0.556 0.889 0.600 CB 1.273 46 residues pruned to eliminate duplicates Z: 55 32.147 2.114 0.573 0.534 0.944 0.667 CB 1.348 55 residues pruned to eliminate duplicates Z: 113 63.369 2.335 0.757 0.507 0.911 0.661 CB 1.592 113 residues pruned to eliminate duplicates Z: 78 46.257 2.222 0.647 0.562 0.948 0.675 CB 1.432 78 residues pruned to eliminate duplicates Z: 53 34.567 2.135 0.555 0.577 1.000 0.750 CB 1.340 53 residues pruned to eliminate duplicates Z: 27 19.345 1.905 0.505 0.597 0.962 0.577 CB 1.255 27 residues pruned to eliminate duplicates Z: 69 43.569 2.196 0.603 0.581 0.926 0.647 CB 1.499 69 residues pruned to eliminate duplicates Z: 35 39.383 2.312 0.815 0.622 0.971 0.735 CB 1.478 35 residues pruned to eliminate duplicates Z: 53 34.047 2.133 0.640 0.572 0.942 0.635 CB 1.336 53 residues pruned to eliminate duplicates Z: 50 34.733 2.165 0.575 0.565 0.959 0.673 CB 1.424 50 residues pruned to eliminate duplicates Z: 49 28.967 2.148 0.550 0.511 0.917 0.542 CB 1.355 49 residues pruned to eliminate duplicates Z: 52 30.385 2.124 0.488 0.539 0.961 0.725 CB 1.349 52 residues pruned to eliminate duplicates Z: 53 32.835 2.133 0.526 0.593 0.942 0.673 CB 1.358 53 residues pruned to eliminate duplicates Z: 50 33.762 2.156 0.597 0.565 0.959 0.673 CB 1.372 50 residues pruned to eliminate duplicates Z: 50 27.846 2.154 0.500 0.528 0.898 0.633 CB 1.334 50 residues pruned to eliminate duplicates Z: 40 34.313 2.209 0.769 0.552 0.897 0.641 CB 1.489 40 residues pruned to eliminate duplicates Z: 51 33.192 2.139 0.632 0.590 0.940 0.660 CB 1.313 51 residues pruned to eliminate duplicates Z: 35 33.433 2.289 0.716 0.591 0.941 0.618 CB 1.421 35 residues pruned to eliminate duplicates Z: 78 52.950 2.227 0.893 0.577 0.935 0.662 CB 1.421 90 residues pruned to eliminate duplicates Z: 17 26.023 2.179 0.836 0.826 0.938 0.562 CB 1.308 17 residues pruned to eliminate duplicates Z: 48 27.331 2.136 0.518 0.506 0.936 0.553 CB 1.305 48 residues pruned to eliminate duplicates Z: 78 51.045 2.223 0.812 0.576 0.948 0.610 CB 1.415 78 residues pruned to eliminate duplicates Z: 22 27.691 2.133 0.827 0.790 0.952 0.476 CB 1.262 22 residues pruned to eliminate duplicates Z: 48 34.057 2.155 0.732 0.539 0.936 0.638 CB 1.367 48 residues pruned to eliminate duplicates Z: 33 38.200 2.324 0.938 0.629 0.938 0.656 CB 1.417 33 residues pruned to eliminate duplicates Z: 52 38.585 2.147 0.794 0.575 0.961 0.647 CB 1.359 52 residues pruned to eliminate duplicates Z: 50 36.598 2.151 0.803 0.565 0.918 0.673 CB 1.378 50 residues pruned to eliminate duplicates Z: 9 15.299 2.083 1.165 0.547 0.875 0.625 CA 1.309 9 residues pruned to eliminate duplicates Z: 52 36.785 2.142 0.800 0.576 0.922 0.627 CB 1.347 52 residues pruned to eliminate duplicates Z: 21 27.314 2.215 1.184 0.356 0.950 0.550 CB 1.552 21 residues pruned to eliminate duplicates Z: 40 37.880 2.202 0.818 0.563 0.974 0.590 CB 1.463 40 residues pruned to eliminate duplicates Z: 104 66.736 2.332 0.831 0.513 0.951 0.650 CB 1.598 104 residues pruned to eliminate duplicates Z: 51 34.298 2.156 0.723 0.501 0.940 0.520 CB 1.388 51 residues pruned to eliminate duplicates Z: 32 36.697 2.305 0.898 0.599 0.935 0.613 CB 1.465 32 residues pruned to eliminate duplicates Z: 48 32.868 2.188 0.668 0.545 0.936 0.681 CB 1.343 48 residues pruned to eliminate duplicates Z: 51 32.392 2.113 0.679 0.538 0.960 0.640 CB 1.296 51 residues pruned to eliminate duplicates Z: 52 37.891 2.146 0.704 0.607 0.961 0.647 CB 1.364 52 residues pruned to eliminate duplicates Z: 51 36.394 2.131 0.741 0.591 0.960 0.640 CB 1.325 51 residues pruned to eliminate duplicates Z: 53 37.050 2.129 0.682 0.615 0.981 0.712 CB 1.312 53 residues pruned to eliminate duplicates Z: 20 32.994 2.211 0.661 0.708 1.000 0.474 CB 1.706 20 residues pruned to eliminate duplicates Z: 22 25.620 2.084 0.546 0.720 0.905 0.619 CB 1.572 23 residues pruned to eliminate duplicates Z: 7 6.800 1.718 0.250 0.628 1.000 0.500 CB 1.146 7 residues pruned to eliminate duplicates Z: 18 26.495 2.183 0.453 0.840 0.941 0.529 CB 1.606 18 residues pruned to eliminate duplicates Z: 20 23.017 2.176 0.569 0.652 0.789 0.579 CB 1.700 20 residues pruned to eliminate duplicates Z: 22 29.337 2.148 0.653 0.665 0.905 0.524 CB 1.712 22 residues pruned to eliminate duplicates Z: 19 19.291 2.098 0.483 0.621 0.778 0.611 CB 1.676 19 residues pruned to eliminate duplicates Z: 25 24.735 2.212 0.459 0.613 0.875 0.542 CB 1.606 25 residues pruned to eliminate duplicates Z: 20 23.562 2.128 0.426 0.686 0.842 0.526 CB 1.783 20 residues pruned to eliminate duplicates Z: 20 33.125 2.273 0.596 0.743 0.947 0.632 CB 1.779 21 residues pruned to eliminate duplicates Z: 19 29.312 2.122 0.659 0.821 0.944 0.722 CB 1.574 19 residues pruned to eliminate duplicates Z: 20 27.153 2.170 0.586 0.622 0.947 0.579 CB 1.702 20 residues pruned to eliminate duplicates Z: 23 22.985 2.045 0.387 0.648 0.955 0.682 CB 1.577 23 residues pruned to eliminate duplicates Z: 21 31.473 2.167 0.727 0.709 0.950 0.600 CB 1.637 21 residues pruned to eliminate duplicates Z: 19 25.882 2.077 0.655 0.656 0.944 0.667 CB 1.626 19 residues pruned to eliminate duplicates Z: 21 28.293 2.103 0.596 0.677 0.950 0.550 CA 1.687 21 residues pruned to eliminate duplicates Z: 22 29.512 2.134 0.583 0.675 1.000 0.571 CB 1.622 22 residues pruned to eliminate duplicates Z: 21 29.505 2.157 0.613 0.704 0.950 0.500 CB 1.658 21 residues pruned to eliminate duplicates Z: 20 32.255 2.244 0.585 0.716 1.000 0.684 CB 1.711 20 residues pruned to eliminate duplicates Z: 28 28.978 2.193 0.582 0.654 0.926 0.593 CB 1.504 28 residues pruned to eliminate duplicates Z: 27 25.656 2.192 0.461 0.686 0.885 0.692 CB 1.497 27 residues pruned to eliminate duplicates Z: 55 27.469 1.976 0.470 0.589 0.889 0.685 CB 1.330 64 residues pruned to eliminate duplicates Z: 7 9.935 2.172 0.574 0.623 0.833 0.667 CB 1.268 7 residues pruned to eliminate duplicates Z: 25 13.675 1.877 0.439 0.479 0.833 0.583 CB 1.268 25 residues pruned to eliminate duplicates Z: 39 18.097 1.803 0.529 0.539 0.868 0.684 CB 1.180 39 residues pruned to eliminate duplicates Z: 36 17.696 1.821 0.601 0.511 0.829 0.657 CB 1.226 36 residues pruned to eliminate duplicates Z: 9 6.613 1.994 0.501 0.491 0.750 0.625 CB 1.051 9 residues pruned to eliminate duplicates Z: 54 27.577 1.964 0.516 0.571 0.868 0.736 CB 1.369 54 residues pruned to eliminate duplicates Z: 31 17.987 1.701 0.511 0.634 0.967 0.733 CB 1.166 31 residues pruned to eliminate duplicates Z: 35 18.723 1.841 0.522 0.519 0.882 0.588 CB 1.275 35 residues pruned to eliminate duplicates Z: 34 17.194 1.844 0.490 0.467 0.909 0.636 CB 1.240 34 residues pruned to eliminate duplicates Z: 27 14.292 1.753 0.425 0.539 0.923 0.615 CB 1.170 27 residues pruned to eliminate duplicates Z: 40 21.072 1.753 0.597 0.595 0.923 0.744 CB 1.193 40 residues pruned to eliminate duplicates Z: 24 16.137 1.784 0.485 0.566 0.957 0.739 CB 1.246 24 residues pruned to eliminate duplicates Z: 35 14.583 1.781 0.421 0.451 0.853 0.618 CB 1.218 35 residues pruned to eliminate duplicates Z: 26 17.584 1.782 0.540 0.539 0.960 0.640 CB 1.285 26 residues pruned to eliminate duplicates Z: 26 14.854 1.709 0.504 0.536 0.880 0.640 CB 1.268 26 residues pruned to eliminate duplicates Z: 27 17.169 1.739 0.551 0.577 0.962 0.731 CB 1.206 27 residues pruned to eliminate duplicates Z: 19 12.593 1.704 0.538 0.528 0.889 0.500 CB 1.240 19 residues pruned to eliminate duplicates Z: 17 11.594 1.724 0.528 0.499 0.938 0.688 CB 1.175 17 residues pruned to eliminate duplicates Z: 27 16.781 1.740 0.509 0.558 0.962 0.692 CB 1.231 27 residues pruned to eliminate duplicates Z: 17 15.300 1.792 0.608 0.498 1.000 0.625 CB 1.330 17 residues pruned to eliminate duplicates Z: 37 17.026 1.826 0.450 0.505 0.861 0.611 CB 1.238 37 residues pruned to eliminate duplicates Z: 24 19.285 1.804 0.548 0.637 0.957 0.609 CB 1.324 24 residues pruned to eliminate duplicates Z: 20 12.627 1.713 0.556 0.482 0.895 0.632 CB 1.237 20 residues pruned to eliminate duplicates Z: 8 10.778 1.766 0.698 0.571 0.857 0.857 CB 1.480 Z: 6 4.872 1.353 0.450 0.421 1.000 0.600 CA 1.206 6 residues pruned to eliminate duplicates Z: 6 3.971 1.283 0.394 0.474 1.000 0.800 O 1.019 5 residues pruned to eliminate duplicates Z: 12 8.443 1.517 0.540 0.735 1.000 0.818 CB 0.882 5 residues pruned to eliminate duplicates Z: 11 6.297 1.553 0.454 0.606 0.900 0.700 CB 0.885 11 residues pruned to eliminate duplicates Z: 33 17.523 1.863 0.575 0.510 0.875 0.719 CB 1.195 49 residues pruned to eliminate duplicates Z: 26 16.831 1.745 0.586 0.601 0.880 0.720 CB 1.256 26 residues pruned to eliminate duplicates Z: 58 31.626 1.908 0.636 0.623 0.895 0.684 CB 1.335 58 residues pruned to eliminate duplicates Z: 23 16.659 1.710 0.513 0.633 1.000 0.636 CB 1.212 23 residues pruned to eliminate duplicates Z: 30 18.738 1.740 0.512 0.633 0.966 0.724 CB 1.209 30 residues pruned to eliminate duplicates Z: 30 19.744 1.742 0.557 0.639 0.966 0.621 CB 1.229 30 residues pruned to eliminate duplicates 6 1.678 1.336 0.208 0.278 0.600 0.200 CB 0.997 ? Z: 22 29.459 2.180 0.581 0.716 1.000 0.429 CB 1.534 22 residues pruned to eliminate duplicates Z: 7 4.950 1.499 0.142 0.837 1.000 0.500 CB 0.883 7 residues pruned to eliminate duplicates Z: 18 27.426 2.248 0.603 0.809 0.941 0.529 CB 1.498 18 residues pruned to eliminate duplicates Z: 28 28.168 2.221 0.673 0.686 0.852 0.630 CB 1.444 28 residues pruned to eliminate duplicates Z: 28 29.489 2.244 0.578 0.697 0.889 0.593 CB 1.507 28 residues pruned to eliminate duplicates Z: 27 29.438 2.281 0.652 0.671 0.885 0.538 CB 1.479 27 residues pruned to eliminate duplicates Z: 21 24.076 2.273 0.473 0.699 0.850 0.550 CB 1.578 21 residues pruned to eliminate duplicates Z: 61 35.444 2.077 0.560 0.611 0.900 0.650 CB 1.413 61 residues pruned to eliminate duplicates Z: 23 20.826 2.145 0.478 0.608 0.955 0.500 CB 1.324 23 residues pruned to eliminate duplicates Z: 22 23.697 2.133 0.326 0.683 1.000 0.714 CB 1.546 22 residues pruned to eliminate duplicates Z: 20 26.527 2.268 0.544 0.649 0.947 0.474 CB 1.595 20 residues pruned to eliminate duplicates Z: 19 27.306 2.355 0.470 0.676 0.944 0.611 CB 1.674 19 residues pruned to eliminate duplicates Z: 21 25.833 2.240 0.516 0.714 0.950 0.750 CB 1.474 21 residues pruned to eliminate duplicates Z: 21 24.737 2.139 0.488 0.678 1.000 0.650 CB 1.475 21 residues pruned to eliminate duplicates Z: 25 19.715 2.060 0.434 0.593 0.875 0.458 CB 1.424 25 residues pruned to eliminate duplicates Z: 20 30.096 2.274 0.459 0.790 1.000 0.842 CB 1.613 20 residues pruned to eliminate duplicates Z: 21 28.727 2.225 0.419 0.803 1.000 0.650 CB 1.561 21 residues pruned to eliminate duplicates Z: 24 28.312 2.352 0.464 0.684 0.913 0.696 CB 1.586 24 residues pruned to eliminate duplicates Z: 29 26.570 2.244 0.580 0.596 0.857 0.607 CB 1.507 29 residues pruned to eliminate duplicates Z: 56 36.858 2.161 0.631 0.585 0.873 0.673 CB 1.489 56 residues pruned to eliminate duplicates Z: 39 23.980 2.052 0.565 0.512 0.842 0.605 CB 1.421 39 residues pruned to eliminate duplicates Z: 10 10.492 2.145 1.031 0.465 0.667 0.444 CB 1.248 10 residues pruned to eliminate duplicates Z: 39 24.894 2.027 0.648 0.540 0.842 0.684 CB 1.380 39 residues pruned to eliminate duplicates Z: 10 10.400 2.122 0.770 0.336 0.778 0.444 CB 1.419 10 residues pruned to eliminate duplicates Z: 27 23.917 2.231 0.530 0.574 0.885 0.654 CB 1.446 27 residues pruned to eliminate duplicates Z: 39 24.197 2.013 0.533 0.541 0.895 0.711 CB 1.365 39 residues pruned to eliminate duplicates Z: 53 29.243 2.120 0.566 0.511 0.846 0.500 CB 1.428 53 residues pruned to eliminate duplicates Z: 29 28.605 2.189 0.715 0.560 0.929 0.429 CB 1.462 29 residues pruned to eliminate duplicates Z: 39 25.430 2.014 0.670 0.506 0.868 0.605 CB 1.404 39 residues pruned to eliminate duplicates Z: 109 51.162 2.188 0.661 0.496 0.898 0.565 CB 1.515 109 residues pruned to eliminate duplicates Z: 29 27.141 1.980 0.622 0.629 0.929 0.714 CB 1.524 29 residues pruned to eliminate duplicates Z: 28 25.706 2.008 0.611 0.599 0.926 0.667 CB 1.503 28 residues pruned to eliminate duplicates Z: 57 39.867 2.157 0.627 0.605 0.911 0.661 CB 1.509 57 residues pruned to eliminate duplicates Z: 29 28.967 1.963 0.680 0.683 0.964 0.714 CB 1.455 29 residues pruned to eliminate duplicates Z: 39 26.899 2.054 0.691 0.523 0.868 0.684 CB 1.413 39 residues pruned to eliminate duplicates Z: 39 21.178 2.002 0.583 0.502 0.816 0.711 CB 1.327 39 residues pruned to eliminate duplicates Z: 27 26.348 2.049 0.570 0.613 0.923 0.808 CB 1.564 27 residues pruned to eliminate duplicates Z: 57 24.521 2.007 0.493 0.461 0.893 0.607 CB 1.275 57 residues pruned to eliminate duplicates Z: 26 27.061 2.053 0.641 0.611 0.920 0.760 CB 1.571 26 residues pruned to eliminate duplicates Z: 28 25.129 2.013 0.541 0.617 0.926 0.741 CB 1.507 28 residues pruned to eliminate duplicates Z: 28 27.521 2.007 0.608 0.675 0.926 0.815 CB 1.508 28 residues pruned to eliminate duplicates Z: 59 32.080 2.076 0.534 0.578 0.897 0.672 CB 1.369 59 residues pruned to eliminate duplicates Z: 54 36.912 2.150 0.717 0.586 0.849 0.642 CB 1.490 54 residues pruned to eliminate duplicates Z: 28 27.063 2.022 0.645 0.628 0.926 0.741 CB 1.500 28 residues pruned to eliminate duplicates Z: 31 31.918 1.941 0.850 0.678 0.967 0.800 CB 1.425 31 residues pruned to eliminate duplicates Z: 28 29.608 2.021 0.712 0.636 0.963 0.815 CB 1.505 28 residues pruned to eliminate duplicates Z: 28 28.363 1.969 0.677 0.600 0.963 0.741 CB 1.561 28 residues pruned to eliminate duplicates Z: 28 31.556 2.028 0.773 0.688 0.926 0.778 CB 1.535 28 residues pruned to eliminate duplicates Z: 60 37.334 2.083 0.661 0.578 0.898 0.678 CB 1.450 60 residues pruned to eliminate duplicates Z: 29 26.697 1.982 0.616 0.611 0.964 0.786 CB 1.470 29 residues pruned to eliminate duplicates Z: 24 22.596 1.996 0.639 0.537 0.913 0.652 CB 1.521 24 residues pruned to eliminate duplicates Z: 26 21.545 1.937 0.729 0.507 0.880 0.640 CB 1.453 26 residues pruned to eliminate duplicates Z: 38 20.274 1.972 0.769 0.408 0.811 0.622 CB 1.298 38 residues pruned to eliminate duplicates Z: 13 11.943 2.034 0.479 0.357 0.917 0.500 CB 1.460 13 residues pruned to eliminate duplicates Z: 85 47.984 2.170 0.759 0.510 0.881 0.595 CB 1.542 85 residues pruned to eliminate duplicates Z: 13 9.604 1.982 0.371 0.371 0.833 0.500 CB 1.406 13 residues pruned to eliminate duplicates Z: 84 74.735 2.466 1.003 0.485 0.940 0.566 CB 1.794 84 residues pruned to eliminate duplicates Z: 90 67.514 2.446 0.910 0.466 0.899 0.573 CB 1.764 90 residues pruned to eliminate duplicates Z: 106 46.791 2.176 0.566 0.507 0.886 0.600 CB 1.502 106 residues pruned to eliminate duplicates Z: 116 77.407 2.459 0.876 0.483 0.913 0.557 CB 1.743 116 residues pruned to eliminate duplicates Z: 53 35.377 2.187 0.713 0.435 0.885 0.500 CB 1.584 53 residues pruned to eliminate duplicates Z: 48 43.262 2.265 0.822 0.457 0.957 0.617 CB 1.670 48 residues pruned to eliminate duplicates Z: 30 22.957 2.189 0.747 0.392 0.862 0.621 CB 1.450 30 residues pruned to eliminate duplicates Z: 43 47.811 2.331 0.938 0.489 0.976 0.595 CB 1.692 43 residues pruned to eliminate duplicates Z: 49 28.362 1.989 0.610 0.511 0.917 0.562 CB 1.380 49 residues pruned to eliminate duplicates Z: 48 27.866 1.994 0.601 0.482 0.957 0.638 CB 1.353 48 residues pruned to eliminate duplicates Z: 113 76.531 2.488 0.851 0.493 0.902 0.670 CB 1.755 113 residues pruned to eliminate duplicates Z: 52 28.159 1.981 0.582 0.532 0.922 0.647 CB 1.323 52 residues pruned to eliminate duplicates Z: 44 48.121 2.336 0.844 0.514 1.000 0.581 CB 1.680 44 residues pruned to eliminate duplicates Z: 114 77.563 2.458 0.958 0.490 0.894 0.611 CB 1.712 114 residues pruned to eliminate duplicates Z: 92 73.566 2.461 0.952 0.477 0.934 0.560 CB 1.759 92 residues pruned to eliminate duplicates Z: 49 42.275 2.261 0.844 0.471 0.917 0.479 CB 1.645 49 residues pruned to eliminate duplicates Z: 92 67.734 2.478 0.894 0.469 0.879 0.560 CB 1.777 92 residues pruned to eliminate duplicates Z: 12 17.924 2.274 1.082 0.276 0.909 0.545 CB 1.619 12 residues pruned to eliminate duplicates Z: 45 47.663 2.310 0.942 0.507 0.909 0.614 CB 1.751 45 residues pruned to eliminate duplicates Z: 91 77.943 2.472 0.967 0.477 0.956 0.567 CB 1.810 91 residues pruned to eliminate duplicates Z: 22 23.280 2.124 1.074 0.350 0.905 0.619 CB 1.500 22 residues pruned to eliminate duplicates Z: 90 74.366 2.442 1.062 0.474 0.910 0.584 CB 1.767 90 residues pruned to eliminate duplicates Z: 44 48.667 2.341 0.996 0.511 0.930 0.674 CB 1.690 44 residues pruned to eliminate duplicates Z: 28 37.147 2.254 0.935 0.557 0.889 0.556 CB 1.744 28 residues pruned to eliminate duplicates Z: 44 50.353 2.346 0.996 0.501 0.953 0.628 CB 1.718 44 residues pruned to eliminate duplicates Z: 72 69.101 2.526 0.940 0.468 0.915 0.577 CB 1.888 72 residues pruned to eliminate duplicates Z: 86 73.356 2.453 1.036 0.488 0.906 0.635 CB 1.779 86 residues pruned to eliminate duplicates Z: 114 82.760 2.477 1.005 0.498 0.876 0.619 CB 1.793 114 residues pruned to eliminate duplicates Z: 43 45.101 2.313 0.944 0.485 0.952 0.619 CB 1.649 43 residues pruned to eliminate duplicates Z: 90 72.296 2.451 1.059 0.441 0.899 0.596 CB 1.795 90 residues pruned to eliminate duplicates Z: 115 81.932 2.456 1.033 0.475 0.904 0.605 CB 1.744 115 residues pruned to eliminate duplicates Z: 43 55.535 2.334 1.042 0.530 1.000 0.690 CB 1.746 43 residues pruned to eliminate duplicates Z: 29 49.120 2.483 1.090 0.540 0.893 0.607 CB 1.926 29 residues pruned to eliminate duplicates Z: 119 77.073 2.312 0.888 0.527 0.932 0.610 CB 1.697 119 residues pruned to eliminate duplicates Z: 47 52.553 2.317 1.046 0.506 0.978 0.630 CB 1.661 47 residues pruned to eliminate duplicates Z: 43 51.874 2.363 1.026 0.523 0.952 0.667 CB 1.716 43 residues pruned to eliminate duplicates Z: 72 67.192 2.530 0.935 0.475 0.887 0.620 CB 1.882 72 residues pruned to eliminate duplicates Z: 81 68.736 2.446 0.974 0.467 0.913 0.538 CB 1.803 81 residues pruned to eliminate duplicates Z: 115 76.995 2.425 1.008 0.468 0.904 0.588 CB 1.693 115 residues pruned to eliminate duplicates Z: 71 77.061 2.576 1.102 0.487 0.900 0.486 CB 1.915 71 residues pruned to eliminate duplicates Z: 114 81.561 2.478 0.994 0.488 0.903 0.602 CB 1.740 114 residues pruned to eliminate duplicates Z: 92 73.676 2.484 0.939 0.465 0.923 0.604 CB 1.800 92 residues pruned to eliminate duplicates Z: 91 71.389 2.471 0.973 0.457 0.900 0.600 CB 1.792 91 residues pruned to eliminate duplicates Z: 45 58.688 2.514 0.941 0.519 0.932 0.659 CB 1.909 45 residues pruned to eliminate duplicates Z: 46 49.078 2.360 0.912 0.480 0.956 0.578 CB 1.732 46 residues pruned to eliminate duplicates Z: 91 67.920 2.503 0.959 0.464 0.844 0.556 CB 1.794 91 residues pruned to eliminate duplicates Z: 112 73.744 2.436 0.955 0.447 0.910 0.577 CB 1.706 112 residues pruned to eliminate duplicates Z: 43 62.408 2.662 1.001 0.494 0.929 0.619 CB 1.959 43 residues pruned to eliminate duplicates Z: 59 63.917 2.484 0.913 0.523 0.914 0.552 CB 1.889 59 residues pruned to eliminate duplicates Z: 51 51.883 2.544 0.942 0.426 0.860 0.580 CB 1.863 51 residues pruned to eliminate duplicates Z: 54 52.335 2.480 0.946 0.480 0.887 0.528 CB 1.714 54 residues pruned to eliminate duplicates Z: 49 55.885 2.600 0.921 0.473 0.896 0.604 CB 1.854 49 residues pruned to eliminate duplicates Z: 50 58.013 2.581 0.966 0.486 0.898 0.612 CB 1.844 50 residues pruned to eliminate duplicates Z: 93 79.785 2.523 0.995 0.507 0.891 0.620 CB 1.841 93 residues pruned to eliminate duplicates Z: 41 61.280 2.571 1.026 0.520 0.925 0.625 CB 1.972 41 residues pruned to eliminate duplicates Z: 48 55.982 2.532 0.970 0.470 0.915 0.617 CB 1.845 48 residues pruned to eliminate duplicates Z: 69 67.154 2.548 1.024 0.497 0.897 0.647 CB 1.765 69 residues pruned to eliminate duplicates Z: 74 62.377 2.524 0.917 0.495 0.877 0.603 CB 1.731 74 residues pruned to eliminate duplicates Z: 35 43.491 2.553 0.975 0.423 0.853 0.559 CB 1.880 35 residues pruned to eliminate duplicates Z: 49 62.995 2.590 1.063 0.465 0.938 0.583 CB 1.881 49 residues pruned to eliminate duplicates Z: 114 76.870 2.455 1.013 0.470 0.867 0.619 CB 1.740 114 residues pruned to eliminate duplicates Z: 83 67.027 2.441 0.975 0.461 0.902 0.646 CB 1.770 83 residues pruned to eliminate duplicates Z: 50 61.204 2.557 0.951 0.484 0.980 0.633 CB 1.818 50 residues pruned to eliminate duplicates Z: 49 60.104 2.569 1.009 0.475 0.938 0.667 CB 1.840 49 residues pruned to eliminate duplicates Z: 91 74.379 2.468 1.029 0.454 0.922 0.611 CB 1.779 91 residues pruned to eliminate duplicates Z: 49 61.357 2.580 1.162 0.481 0.917 0.604 CB 1.765 49 residues pruned to eliminate duplicates Z: 103 80.881 2.498 1.032 0.500 0.902 0.657 CB 1.748 123 residues pruned to eliminate duplicates Z: 18 30.349 2.362 0.678 0.709 0.882 0.588 CA 1.741 18 residues pruned to eliminate duplicates Z: 81 71.443 2.487 0.944 0.513 0.925 0.613 CB 1.763 81 residues pruned to eliminate duplicates Z: 43 62.430 2.589 1.013 0.509 0.952 0.714 CB 1.924 43 residues pruned to eliminate duplicates Z: 91 77.380 2.489 1.059 0.477 0.889 0.611 CB 1.832 91 residues pruned to eliminate duplicates Z: 75 64.999 2.484 1.036 0.480 0.892 0.581 CB 1.710 75 residues pruned to eliminate duplicates Z: 34 40.118 2.584 0.804 0.469 0.879 0.697 CB 1.760 34 residues pruned to eliminate duplicates Z: 45 55.782 2.584 1.019 0.474 0.886 0.682 CB 1.868 45 residues pruned to eliminate duplicates Z: 113 77.511 2.462 1.017 0.468 0.893 0.580 CB 1.707 113 residues pruned to eliminate duplicates Z: 62 61.662 2.478 1.021 0.471 0.885 0.590 CB 1.835 62 residues pruned to eliminate duplicates Z: 48 60.028 2.493 1.119 0.526 0.936 0.596 CB 1.725 48 residues pruned to eliminate duplicates Z: 43 65.937 2.572 1.159 0.538 0.952 0.643 CB 1.853 43 residues pruned to eliminate duplicates Z: 85 69.551 2.403 1.056 0.472 0.929 0.595 CB 1.701 85 residues pruned to eliminate duplicates Z: 73 70.483 2.507 1.088 0.508 0.917 0.625 CB 1.718 73 residues pruned to eliminate duplicates Z: 35 45.163 2.580 0.872 0.411 0.971 0.618 CB 1.813 35 residues pruned to eliminate duplicates Z: 72 68.377 2.522 1.085 0.508 0.873 0.648 CB 1.753 72 residues pruned to eliminate duplicates Z: 73 68.375 2.508 1.039 0.517 0.917 0.625 CB 1.691 73 residues pruned to eliminate duplicates Z: 45 42.352 2.420 1.078 0.425 0.864 0.545 CB 1.589 45 residues pruned to eliminate duplicates Z: 93 77.211 2.450 1.152 0.484 0.924 0.620 CB 1.679 93 residues pruned to eliminate duplicates Z: 54 57.333 2.533 1.057 0.450 0.887 0.585 CB 1.794 54 residues pruned to eliminate duplicates Z: 72 68.665 2.514 1.064 0.510 0.901 0.592 CB 1.725 72 residues pruned to eliminate duplicates Z: 70 77.409 2.549 1.145 0.482 0.942 0.565 CB 1.843 70 residues pruned to eliminate duplicates Z: 8 6.650 2.180 0.719 0.214 0.857 0.429 CB 1.096 8 residues pruned to eliminate duplicates Z: 90 68.178 2.456 1.077 0.446 0.888 0.573 CB 1.687 90 residues pruned to eliminate duplicates Z: 76 68.707 2.456 1.122 0.500 0.893 0.600 CB 1.704 76 residues pruned to eliminate duplicates Z: 71 64.281 2.479 1.052 0.482 0.900 0.657 CB 1.710 71 residues pruned to eliminate duplicates Z: 26 35.670 2.415 0.776 0.571 0.920 0.640 CB 1.688 26 residues pruned to eliminate duplicates Z: 30 37.227 2.349 0.968 0.544 0.931 0.655 CB 1.539 30 residues pruned to eliminate duplicates Z: 26 40.738 2.458 0.997 0.601 0.920 0.680 CB 1.640 26 residues pruned to eliminate duplicates Z: 27 42.782 2.491 0.924 0.589 0.923 0.654 CB 1.743 27 residues pruned to eliminate duplicates Z: 37 41.495 2.425 0.929 0.549 0.889 0.611 CB 1.586 37 residues pruned to eliminate duplicates Z: 27 34.328 2.377 0.810 0.573 0.846 0.577 CB 1.723 27 residues pruned to eliminate duplicates Z: 29 34.003 2.383 0.855 0.518 0.893 0.571 CB 1.599 29 residues pruned to eliminate duplicates Z: 15 41.093 2.541 1.140 0.768 0.929 0.643 CB 1.716 15 residues pruned to eliminate duplicates Z: 26 38.330 2.465 0.913 0.585 0.880 0.680 CB 1.703 26 residues pruned to eliminate duplicates Z: 27 41.340 2.353 1.118 0.598 0.923 0.538 CB 1.605 27 residues pruned to eliminate duplicates Z: 26 38.394 2.428 0.918 0.595 0.920 0.480 CB 1.637 26 residues pruned to eliminate duplicates Z: 58 58.488 2.468 1.032 0.543 0.860 0.509 CB 1.722 58 residues pruned to eliminate duplicates Z: 28 33.648 2.356 0.835 0.550 0.852 0.481 CB 1.674 28 residues pruned to eliminate duplicates Z: 31 43.581 2.425 1.035 0.532 0.933 0.433 CB 1.674 31 residues pruned to eliminate duplicates Z: 13 15.744 2.323 0.808 0.437 0.833 0.583 CB 1.386 13 residues pruned to eliminate duplicates Z: 29 30.586 2.215 0.771 0.502 0.857 0.500 CB 1.716 29 residues pruned to eliminate duplicates Z: 35 47.973 2.424 1.069 0.577 0.941 0.706 CB 1.618 36 residues pruned to eliminate duplicates Z: 6 7.021 1.890 0.508 0.443 1.000 0.600 N 1.168 6 residues pruned to eliminate duplicates Z: 24 33.840 2.311 0.895 0.546 0.870 0.522 CB 1.773 24 residues pruned to eliminate duplicates Z: 30 53.771 2.404 1.135 0.660 0.966 0.621 CB 1.737 30 residues pruned to eliminate duplicates Z: 28 50.256 2.525 1.037 0.675 0.926 0.593 CB 1.728 28 residues pruned to eliminate duplicates Z: 27 48.529 2.543 1.050 0.676 0.923 0.577 CB 1.682 27 residues pruned to eliminate duplicates Z: 29 48.122 2.442 0.959 0.660 0.964 0.643 CB 1.700 29 residues pruned to eliminate duplicates Z: 29 48.884 2.442 1.000 0.656 0.964 0.500 CB 1.697 29 residues pruned to eliminate duplicates Z: 28 56.391 2.538 1.231 0.694 0.926 0.667 CB 1.734 28 residues pruned to eliminate duplicates Z: 30 47.751 2.432 1.102 0.632 0.931 0.586 CB 1.646 30 residues pruned to eliminate duplicates Z: 29 38.673 2.430 1.054 0.611 0.857 0.500 CB 1.537 29 residues pruned to eliminate duplicates Z: 30 55.878 2.418 1.257 0.640 0.966 0.621 CB 1.727 30 residues pruned to eliminate duplicates Z: 30 57.834 2.433 1.186 0.645 1.000 0.690 CB 1.765 30 residues pruned to eliminate duplicates Z: 29 47.303 2.438 1.148 0.653 0.893 0.607 CB 1.659 28 residues pruned to eliminate duplicates Z: 17 32.851 2.168 1.242 0.908 0.938 0.688 CB 1.281 Z: 18 36.821 2.478 0.907 0.796 0.882 0.588 CB 1.653 15 residues pruned to eliminate duplicates Z: 20 47.217 2.399 1.062 0.811 1.000 0.579 CB 1.671 20 residues pruned to eliminate duplicates Z: 7 17.150 1.928 0.786 0.784 1.000 0.667 CA 1.584 7 residues pruned to eliminate duplicates Z: 6 12.428 2.255 0.757 0.691 0.800 0.600 CA 1.472 6 residues pruned to eliminate duplicates Z: 31 58.709 2.395 1.293 0.641 1.000 0.633 CB 1.710 50 residues pruned to eliminate duplicates Z: 9 13.141 1.932 1.394 0.572 0.625 0.125 N 1.499 9 residues pruned to eliminate duplicates Z: 28 53.891 2.531 1.218 0.678 0.926 0.556 CB 1.694 30 residues pruned to eliminate duplicates Z: 6 11.607 2.144 1.379 0.350 1.000 0.400 CA 1.197 6 residues pruned to eliminate duplicates Z: 29 53.687 2.434 1.182 0.665 0.964 0.607 CB 1.701 29 residues pruned to eliminate duplicates Z: 28 56.646 2.497 1.309 0.668 0.926 0.667 CB 1.747 28 residues pruned to eliminate duplicates Z: 26 53.727 2.512 1.334 0.663 0.960 0.600 CB 1.642 26 residues pruned to eliminate duplicates Z: 32 46.148 2.354 1.103 0.636 0.935 0.484 CB 1.575 28 residues pruned to eliminate duplicates 388 residues left after pruning, divided into chains as follows: A: 6 B: 10 C: 205 D: 167 CC for partial structure against native data = 37.83 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.553, Connect. = 0.757 for dens.mod. cycle 1 = 0.300, Contrast = 0.635, Connect. = 0.782 for dens.mod. cycle 2 = 0.300, Contrast = 0.757, Connect. = 0.807 for dens.mod. cycle 3 = 0.300, Contrast = 0.768, Connect. = 0.810 for dens.mod. cycle 4 = 0.300, Contrast = 0.781, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.786, Connect. = 0.813 for dens.mod. cycle 6 = 0.300, Contrast = 0.791, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.793, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.795, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.796, Connect. = 0.817 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2076 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 510 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 29.897 2.457 0.636 0.829 0.900 0.800 CA 1.967 B: 13 27.482 2.336 0.775 0.849 0.750 0.500 CA 1.891 11 residues pruned to eliminate duplicates C: 15 23.305 2.118 0.530 0.751 0.857 0.857 CB 1.794 13 residues pruned to eliminate duplicates D: 12 27.250 2.307 0.726 0.871 0.909 0.727 CA 1.655 13 residues pruned to eliminate duplicates E: 12 36.901 2.451 0.687 0.855 1.000 0.727 CA 1.986 14 residues pruned to eliminate duplicates F: 14 27.077 2.364 0.489 0.869 0.923 0.846 CA 1.688 14 residues pruned to eliminate duplicates G: 14 47.830 2.244 1.287 0.920 1.000 0.846 CA 1.820 H: 12 27.556 2.287 0.704 0.856 0.909 0.818 CA 1.729 12 residues pruned to eliminate duplicates I: 28 43.428 2.304 1.215 0.625 0.926 0.519 CB 1.572 J: 59 44.671 2.332 0.864 0.476 0.879 0.586 CB 1.572 K: 100 70.183 2.367 0.906 0.507 0.909 0.657 CB 1.708 71 residues pruned to eliminate duplicates L: 10 35.890 2.478 0.652 0.920 1.000 0.889 CA 2.057 10 residues pruned to eliminate duplicates M: 17 27.843 2.285 0.608 0.743 0.938 0.688 CB 1.626 17 residues pruned to eliminate duplicates N: 16 26.137 2.133 0.444 0.824 0.933 0.667 CA 1.774 O: 14 43.469 2.254 1.016 0.923 1.000 0.769 CB 1.863 14 residues pruned to eliminate duplicates P: 9 14.738 1.916 0.821 0.660 0.875 0.625 CB 1.472 9 residues pruned to eliminate duplicates Q: 13 39.615 2.395 0.773 0.918 1.000 0.917 CB 1.900 R: 9 16.756 2.243 0.308 0.818 1.000 0.875 CB 1.533 10 residues pruned to eliminate duplicates S: 14 42.180 2.252 1.210 0.909 1.000 1.000 CB 1.668 14 residues pruned to eliminate duplicates T: 12 27.077 2.390 0.411 0.905 1.000 0.909 CA 1.723 12 residues pruned to eliminate duplicates U: 14 40.176 2.234 1.015 0.902 1.000 0.846 CB 1.765 14 residues pruned to eliminate duplicates V: 12 32.000 2.390 0.738 0.910 1.000 0.909 CB 1.647 12 residues pruned to eliminate duplicates W: 38 39.281 2.246 0.855 0.553 1.000 0.595 CB 1.471 X: 19 25.808 2.213 0.464 0.825 0.944 0.500 CB 1.501 Y: 28 43.501 2.363 1.106 0.671 0.926 0.667 CB 1.551 27 residues pruned to eliminate duplicates Z: 16 22.505 2.263 0.420 0.781 0.933 0.733 CB 1.512 16 residues pruned to eliminate duplicates Z: 18 31.341 2.199 0.714 0.811 0.941 0.824 CB 1.634 18 residues pruned to eliminate duplicates Z: 14 27.253 2.222 0.763 0.860 0.846 0.692 CB 1.677 14 residues pruned to eliminate duplicates Z: 13 40.744 2.419 1.177 0.853 0.917 0.583 CB 1.800 14 residues pruned to eliminate duplicates Z: 111 60.954 2.277 0.776 0.545 0.936 0.582 CB 1.468 67 residues pruned to eliminate duplicates Z: 13 31.327 2.301 0.749 0.877 0.917 0.833 CA 1.779 14 residues pruned to eliminate duplicates Z: 16 26.956 2.166 0.590 0.825 0.867 0.667 CB 1.759 16 residues pruned to eliminate duplicates Z: 35 36.678 2.307 0.816 0.550 0.971 0.471 CB 1.474 35 residues pruned to eliminate duplicates Z: 14 27.396 2.223 0.641 0.849 0.923 0.769 CA 1.673 14 residues pruned to eliminate duplicates Z: 27 30.926 2.330 0.735 0.609 0.885 0.500 CB 1.529 16 residues pruned to eliminate duplicates Z: 93 65.857 2.444 0.825 0.467 0.924 0.576 CB 1.723 93 residues pruned to eliminate duplicates Z: 12 31.344 2.350 0.636 0.931 1.000 1.000 CB 1.718 12 residues pruned to eliminate duplicates Z: 7 7.302 1.741 0.546 0.762 0.833 0.333 N 1.053 7 residues pruned to eliminate duplicates Z: 13 36.742 2.421 0.843 0.902 0.917 0.917 CB 1.850 13 residues pruned to eliminate duplicates Z: 12 32.714 2.302 0.878 0.903 1.000 0.909 CA 1.626 Z: 15 22.989 2.320 0.352 0.813 0.929 0.643 CB 1.607 15 residues pruned to eliminate duplicates Z: 19 26.822 2.166 0.484 0.791 1.000 0.778 CB 1.524 Z: 14 20.832 2.067 0.711 0.906 0.923 0.769 CB 1.259 14 residues pruned to eliminate duplicates Z: 32 30.298 2.297 0.820 0.502 0.839 0.516 CB 1.548 21 residues pruned to eliminate duplicates Z: 42 53.240 2.510 0.879 0.508 0.902 0.561 CB 1.938 42 residues pruned to eliminate duplicates Z: 26 35.228 2.320 1.016 0.642 0.920 0.800 CB 1.434 26 residues pruned to eliminate duplicates Z: 16 26.116 2.053 0.647 0.847 1.000 0.600 CB 1.480 17 residues pruned to eliminate duplicates Z: 8 27.476 2.484 0.619 0.888 1.000 0.857 CA 1.860 8 residues pruned to eliminate duplicates Z: 57 40.297 2.364 0.781 0.394 0.875 0.464 CB 1.634 57 residues pruned to eliminate duplicates Z: 30 37.043 2.300 0.907 0.528 0.931 0.483 CB 1.639 30 residues pruned to eliminate duplicates Z: 17 29.866 2.070 0.672 0.825 1.000 0.562 CB 1.627 20 residues pruned to eliminate duplicates Z: 7 25.207 2.399 0.741 0.847 1.000 0.667 CB 1.829 7 residues pruned to eliminate duplicates Z: 12 36.735 2.472 0.632 0.906 1.000 0.909 CB 1.953 12 residues pruned to eliminate duplicates Z: 13 40.699 2.232 1.034 0.881 1.000 0.667 CA 1.874 13 residues pruned to eliminate duplicates Z: 13 44.692 2.470 1.064 0.905 1.000 0.750 CB 1.802 13 residues pruned to eliminate duplicates Z: 28 44.746 2.303 1.269 0.652 0.963 0.519 CB 1.485 29 residues pruned to eliminate duplicates Z: 11 37.343 2.494 0.782 0.926 1.000 0.900 CA 1.864 11 residues pruned to eliminate duplicates Z: 73 59.141 2.497 0.849 0.488 0.875 0.611 CB 1.747 67 residues pruned to eliminate duplicates Z: 102 58.787 2.314 0.813 0.482 0.891 0.574 CB 1.594 85 residues pruned to eliminate duplicates Z: 19 24.149 2.062 0.428 0.780 0.944 0.444 CB 1.600 19 residues pruned to eliminate duplicates Z: 14 40.224 2.227 1.023 0.900 1.000 0.846 CB 1.768 14 residues pruned to eliminate duplicates Z: 8 8.301 1.763 0.908 0.501 0.714 0.429 C 1.305 8 residues pruned to eliminate duplicates Z: 54 40.022 2.153 0.743 0.603 0.962 0.660 CB 1.380 53 residues pruned to eliminate duplicates Z: 14 23.446 2.241 0.454 0.816 0.846 0.692 CB 1.792 14 residues pruned to eliminate duplicates Z: 14 38.271 2.257 0.942 0.896 1.000 1.000 CB 1.735 14 residues pruned to eliminate duplicates Z: 32 33.147 2.212 0.600 0.803 0.871 0.548 CB 1.481 32 residues pruned to eliminate duplicates Z: 89 45.814 2.213 0.734 0.441 0.886 0.557 CB 1.526 89 residues pruned to eliminate duplicates Z: 12 30.711 2.282 0.877 0.903 1.000 0.818 CA 1.541 12 residues pruned to eliminate duplicates Z: 16 18.310 2.168 0.008 0.787 1.000 0.600 CB 1.682 16 residues pruned to eliminate duplicates Z: 15 27.055 2.327 0.593 0.729 1.000 0.643 CA 1.587 15 residues pruned to eliminate duplicates Z: 84 49.012 2.214 0.716 0.491 0.916 0.639 CB 1.560 72 residues pruned to eliminate duplicates Z: 16 23.912 2.203 0.477 0.813 0.867 0.600 CB 1.668 16 residues pruned to eliminate duplicates Z: 11 16.866 1.996 0.412 0.846 0.800 0.500 CA 1.757 12 residues pruned to eliminate duplicates Z: 52 34.472 2.268 0.644 0.454 0.882 0.529 CB 1.537 52 residues pruned to eliminate duplicates Z: 27 29.129 2.342 0.801 0.566 0.885 0.615 CB 1.436 27 residues pruned to eliminate duplicates Z: 6 13.859 2.275 0.345 0.714 1.000 0.400 CA 1.669 6 residues pruned to eliminate duplicates Z: 12 29.387 2.312 0.751 0.843 0.909 0.909 CB 1.793 12 residues pruned to eliminate duplicates Z: 14 38.992 2.211 1.111 0.905 1.000 0.923 CB 1.649 14 residues pruned to eliminate duplicates Z: 13 25.195 2.117 0.520 0.851 0.917 0.667 CA 1.825 13 residues pruned to eliminate duplicates Z: 15 34.311 2.302 0.774 0.781 1.000 0.571 CB 1.753 15 residues pruned to eliminate duplicates Z: 53 36.118 2.165 0.606 0.561 0.885 0.596 CB 1.535 52 residues pruned to eliminate duplicates Z: 16 21.470 2.133 0.592 0.919 1.000 0.533 CB 1.150 16 residues pruned to eliminate duplicates Z: 15 27.434 2.309 0.579 0.799 1.000 0.786 CB 1.548 15 residues pruned to eliminate duplicates Z: 14 30.228 2.224 1.007 0.865 0.846 0.615 CB 1.627 14 residues pruned to eliminate duplicates Z: 49 64.140 2.526 1.163 0.502 0.917 0.667 CB 1.845 49 residues pruned to eliminate duplicates Z: 15 27.713 2.176 0.695 0.853 0.857 0.429 CB 1.732 15 residues pruned to eliminate duplicates Z: 11 19.522 2.053 0.410 0.821 1.000 0.600 CB 1.614 11 residues pruned to eliminate duplicates Z: 14 33.463 2.227 0.884 0.872 0.923 0.769 CA 1.746 14 residues pruned to eliminate duplicates Z: 50 52.500 2.552 0.794 0.479 0.898 0.612 CB 1.863 50 residues pruned to eliminate duplicates Z: 32 13.516 1.716 0.629 0.475 0.774 0.548 CB 1.150 Z: 18 26.912 2.181 0.487 0.733 0.941 0.647 CB 1.734 18 residues pruned to eliminate duplicates Z: 115 76.852 2.454 1.004 0.486 0.860 0.649 CB 1.727 115 residues pruned to eliminate duplicates Z: 17 22.820 2.119 0.452 0.809 1.000 0.750 CB 1.416 17 residues pruned to eliminate duplicates Z: 52 54.636 2.537 0.886 0.471 0.922 0.588 CB 1.786 52 residues pruned to eliminate duplicates Z: 13 24.049 2.110 0.700 0.821 0.833 0.833 CB 1.758 13 residues pruned to eliminate duplicates Z: 11 34.210 2.236 1.279 0.876 0.900 0.400 CA 1.714 11 residues pruned to eliminate duplicates Z: 16 27.746 2.263 0.654 0.798 0.933 0.600 CB 1.580 16 residues pruned to eliminate duplicates Z: 11 16.032 2.022 0.377 0.811 0.800 0.700 CB 1.736 11 residues pruned to eliminate duplicates Z: 12 12.312 1.833 0.493 0.777 0.727 0.545 N 1.461 12 residues pruned to eliminate duplicates Z: 78 86.778 2.571 1.148 0.535 0.935 0.636 CB 1.849 95 residues pruned to eliminate duplicates Z: 16 27.869 2.158 0.676 0.797 0.867 0.733 CA 1.769 16 residues pruned to eliminate duplicates Z: 44 52.110 2.522 0.794 0.522 0.930 0.698 CB 1.847 44 residues pruned to eliminate duplicates Z: 14 25.516 2.223 0.912 0.893 0.923 0.538 CB 1.295 Z: 51 33.543 2.132 0.657 0.536 0.940 0.520 CB 1.379 51 residues pruned to eliminate duplicates Z: 15 27.050 2.160 0.486 0.813 1.000 0.643 CA 1.715 15 residues pruned to eliminate duplicates Z: 14 27.961 2.092 0.987 0.738 1.000 0.769 CA 1.507 14 residues pruned to eliminate duplicates Z: 164 70.126 2.248 0.751 0.510 0.920 0.601 CB 1.501 152 residues pruned to eliminate duplicates Z: 28 33.433 2.287 0.552 0.700 0.926 0.593 CB 1.632 28 residues pruned to eliminate duplicates Z: 6 11.469 2.109 0.787 0.443 0.800 0.400 C 1.805 6 residues pruned to eliminate duplicates Z: 15 30.862 2.305 0.928 0.814 0.929 0.643 CB 1.521 15 residues pruned to eliminate duplicates Z: 85 70.574 2.494 0.947 0.486 0.917 0.595 CB 1.754 84 residues pruned to eliminate duplicates Z: 86 45.808 2.204 0.682 0.477 0.894 0.553 CB 1.535 86 residues pruned to eliminate duplicates Z: 26 44.210 2.424 1.061 0.582 0.880 0.720 CB 1.859 26 residues pruned to eliminate duplicates Z: 11 19.394 2.208 0.168 0.885 1.000 1.000 CA 1.717 11 residues pruned to eliminate duplicates Z: 6 9.827 1.924 0.673 0.555 0.800 0.600 C 1.617 6 residues pruned to eliminate duplicates Z: 30 27.830 1.957 0.727 0.644 0.931 0.690 CB 1.436 30 residues pruned to eliminate duplicates Z: 16 24.269 2.146 0.435 0.817 0.933 0.667 CB 1.656 16 residues pruned to eliminate duplicates Z: 73 64.236 2.546 0.905 0.494 0.875 0.639 CB 1.794 73 residues pruned to eliminate duplicates Z: 11 30.582 2.207 0.892 0.889 0.900 0.700 CA 1.853 11 residues pruned to eliminate duplicates Z: 19 28.349 2.199 0.592 0.819 1.000 0.556 CB 1.446 19 residues pruned to eliminate duplicates Z: 13 25.297 2.345 0.452 0.833 0.917 0.667 CA 1.755 13 residues pruned to eliminate duplicates Z: 12 23.984 2.148 0.799 0.861 0.909 0.545 CA 1.513 12 residues pruned to eliminate duplicates Z: 16 23.244 2.006 1.016 0.918 0.933 0.800 CB 1.122 16 residues pruned to eliminate duplicates Z: 8 23.574 2.105 1.100 0.798 0.857 0.714 CB 1.811 8 residues pruned to eliminate duplicates Z: 21 21.699 2.186 0.544 0.787 0.950 0.550 CB 1.176 21 residues pruned to eliminate duplicates Z: 14 31.228 2.372 0.782 0.832 0.923 0.769 CB 1.666 14 residues pruned to eliminate duplicates Z: 17 26.001 2.083 0.960 0.796 0.812 0.625 CB 1.512 17 residues pruned to eliminate duplicates Z: 21 30.316 2.457 1.033 0.518 0.850 0.600 CB 1.568 21 residues pruned to eliminate duplicates Z: 14 29.132 2.092 0.907 0.864 0.923 0.769 CB 1.608 14 residues pruned to eliminate duplicates Z: 9 10.661 1.787 0.363 0.848 0.875 0.750 CB 1.312 Z: 14 26.480 2.138 0.440 0.842 1.000 0.923 CB 1.778 14 residues pruned to eliminate duplicates Z: 8 24.786 2.447 0.550 0.874 1.000 0.714 CA 1.798 8 residues pruned to eliminate duplicates Z: 28 47.384 2.330 1.360 0.652 0.926 0.593 CB 1.554 42 residues pruned to eliminate duplicates Z: 22 26.134 2.185 0.497 0.732 0.952 0.619 CB 1.486 22 residues pruned to eliminate duplicates Z: 38 24.065 2.020 0.616 0.569 0.865 0.595 CB 1.310 47 residues pruned to eliminate duplicates Z: 18 26.959 2.212 1.043 0.779 0.882 0.471 CB 1.282 Z: 10 14.148 1.766 0.542 0.884 1.000 0.778 CB 1.251 Z: 21 10.283 1.836 0.519 0.415 0.750 0.600 CB 1.201 21 residues pruned to eliminate duplicates Z: 51 48.807 2.526 0.915 0.445 0.840 0.500 CB 1.798 51 residues pruned to eliminate duplicates Z: 14 29.956 2.146 0.804 0.775 1.000 0.692 CA 1.683 14 residues pruned to eliminate duplicates Z: 22 16.360 2.089 0.789 0.252 0.857 0.714 CB 1.482 22 residues pruned to eliminate duplicates Z: 73 69.386 2.569 1.017 0.501 0.875 0.569 CB 1.803 73 residues pruned to eliminate duplicates Z: 15 27.379 2.176 0.636 0.930 1.000 0.857 CB 1.437 15 residues pruned to eliminate duplicates Z: 18 29.470 2.177 0.645 0.816 0.941 0.412 CB 1.612 15 residues pruned to eliminate duplicates Z: 17 25.394 2.304 1.104 0.425 0.812 0.562 CA 1.742 17 residues pruned to eliminate duplicates Z: 12 29.912 2.320 0.821 0.835 0.909 0.455 CB 1.759 12 residues pruned to eliminate duplicates Z: 11 15.589 1.974 0.252 0.799 0.900 0.600 CB 1.707 11 residues pruned to eliminate duplicates Z: 17 23.589 1.968 0.641 0.885 1.000 0.875 CB 1.318 17 residues pruned to eliminate duplicates Z: 13 29.866 2.170 0.857 0.894 0.917 0.833 CA 1.675 13 residues pruned to eliminate duplicates Z: 60 39.578 2.085 0.663 0.608 0.932 0.695 CB 1.439 70 residues pruned to eliminate duplicates Z: 16 24.127 2.187 0.789 0.894 0.933 0.467 CB 1.223 16 residues pruned to eliminate duplicates Z: 7 7.335 2.005 0.217 0.654 0.833 0.500 CA 1.276 7 residues pruned to eliminate duplicates Z: 112 57.525 2.257 0.750 0.483 0.910 0.640 CB 1.546 112 residues pruned to eliminate duplicates Z: 99 76.132 2.457 0.930 0.493 0.929 0.592 CB 1.759 99 residues pruned to eliminate duplicates Z: 14 31.820 2.260 1.277 0.716 0.846 0.462 CB 1.667 14 residues pruned to eliminate duplicates Z: 27 43.905 2.405 1.111 0.556 0.923 0.577 CB 1.740 27 residues pruned to eliminate duplicates Z: 61 47.743 2.229 0.887 0.489 0.950 0.617 CB 1.560 61 residues pruned to eliminate duplicates Z: 66 54.458 2.298 0.851 0.532 0.938 0.615 CB 1.639 66 residues pruned to eliminate duplicates Z: 13 32.067 2.242 0.948 0.852 0.917 0.583 CB 1.710 13 residues pruned to eliminate duplicates Z: 24 19.494 2.025 0.724 0.450 1.000 0.783 CB 1.226 24 residues pruned to eliminate duplicates Z: 101 72.511 2.410 0.896 0.516 0.900 0.650 CB 1.735 101 residues pruned to eliminate duplicates Z: 19 18.636 2.192 0.247 0.762 0.944 0.556 CB 1.348 19 residues pruned to eliminate duplicates Z: 15 26.365 2.245 0.823 0.735 1.000 0.643 CB 1.394 15 residues pruned to eliminate duplicates Z: 8 11.926 1.795 0.484 0.831 1.000 0.571 CB 1.272 8 residues pruned to eliminate duplicates Z: 40 26.555 2.021 0.572 0.577 0.872 0.744 CB 1.425 40 residues pruned to eliminate duplicates Z: 18 25.404 2.162 0.587 0.694 0.882 0.647 CA 1.704 15 residues pruned to eliminate duplicates Z: 29 33.569 2.303 0.882 0.542 0.893 0.571 CB 1.573 29 residues pruned to eliminate duplicates Z: 14 25.518 2.379 0.681 0.732 1.000 0.615 CB 1.437 14 residues pruned to eliminate duplicates Z: 10 9.662 2.031 0.578 0.458 0.778 0.667 CB 1.348 11 residues pruned to eliminate duplicates Z: 14 22.433 2.177 0.354 0.813 0.923 0.692 CA 1.741 14 residues pruned to eliminate duplicates Z: 15 17.986 2.227 0.170 0.859 1.000 0.857 CB 1.358 15 residues pruned to eliminate duplicates Z: 28 28.519 2.220 0.983 0.513 0.852 0.593 CB 1.445 28 residues pruned to eliminate duplicates Z: 10 19.055 2.065 0.573 0.814 0.889 0.667 CB 1.675 10 residues pruned to eliminate duplicates Z: 32 34.700 2.245 0.992 0.466 0.903 0.484 CB 1.596 50 residues pruned to eliminate duplicates Z: 11 12.865 1.837 0.553 0.795 0.700 0.600 CA 1.574 11 residues pruned to eliminate duplicates Z: 15 24.573 2.205 0.885 0.914 0.929 0.500 CB 1.204 15 residues pruned to eliminate duplicates Z: 27 18.461 1.961 0.656 0.427 0.923 0.615 CB 1.304 27 residues pruned to eliminate duplicates Z: 11 13.531 1.646 0.796 0.888 1.000 0.800 CB 1.042 Z: 58 70.656 2.513 1.097 0.553 0.930 0.561 CB 1.814 58 residues pruned to eliminate duplicates Z: 44 42.939 2.261 0.755 0.497 1.000 0.512 CB 1.655 44 residues pruned to eliminate duplicates Z: 9 12.967 1.747 0.491 0.869 1.000 0.875 CB 1.286 9 residues pruned to eliminate duplicates Z: 56 41.063 2.147 0.911 0.508 0.909 0.618 CB 1.473 56 residues pruned to eliminate duplicates Z: 9 8.008 1.892 0.205 0.521 0.875 0.750 CB 1.390 Z: 10 9.339 1.927 0.358 0.506 0.889 0.778 CB 1.330 9 residues pruned to eliminate duplicates Z: 10 10.184 1.695 0.155 0.838 0.889 0.667 CB 1.459 10 residues pruned to eliminate duplicates Z: 13 19.040 2.226 0.247 0.786 0.917 0.583 CA 1.680 13 residues pruned to eliminate duplicates Z: 8 6.042 1.807 0.580 0.378 0.857 0.571 CB 1.063 8 residues pruned to eliminate duplicates Z: 8 10.445 1.803 0.498 0.865 0.857 0.571 CB 1.250 8 residues pruned to eliminate duplicates Z: 18 7.152 1.797 0.458 0.321 0.824 0.412 CB 0.979 18 residues pruned to eliminate duplicates Z: 7 12.848 1.703 0.516 0.852 1.000 0.833 CB 1.504 7 residues pruned to eliminate duplicates Z: 27 40.561 2.242 0.962 0.563 0.962 0.615 CB 1.770 27 residues pruned to eliminate duplicates Z: 22 29.780 2.435 0.856 0.330 0.905 0.476 CB 1.915 22 residues pruned to eliminate duplicates Z: 6 5.973 1.852 0.051 0.675 0.800 0.400 CA 1.459 6 residues pruned to eliminate duplicates Z: 17 20.827 2.029 0.497 0.759 0.812 0.562 CB 1.677 17 residues pruned to eliminate duplicates Z: 115 60.703 2.253 0.810 0.496 0.939 0.623 CB 1.491 115 residues pruned to eliminate duplicates Z: 16 24.286 2.229 0.556 0.799 0.933 0.667 CB 1.491 16 residues pruned to eliminate duplicates Z: 13 14.641 1.749 0.538 0.800 0.833 0.583 N 1.451 13 residues pruned to eliminate duplicates Z: 10 11.559 1.874 0.209 0.869 1.000 1.000 CB 1.242 10 residues pruned to eliminate duplicates Z: 20 23.681 2.300 0.337 0.821 0.895 0.737 CB 1.495 20 residues pruned to eliminate duplicates Z: 14 34.371 2.207 1.136 0.884 0.846 0.692 CB 1.727 14 residues pruned to eliminate duplicates Z: 11 11.798 1.674 0.321 0.836 0.900 0.700 CA 1.404 11 residues pruned to eliminate duplicates Z: 23 30.922 2.324 1.041 0.552 0.864 0.500 CB 1.530 23 residues pruned to eliminate duplicates Z: 14 20.836 2.060 0.496 0.780 1.000 0.538 CB 1.465 14 residues pruned to eliminate duplicates Z: 8 5.918 1.783 0.219 0.774 0.714 0.571 CB 1.131 8 residues pruned to eliminate duplicates Z: 79 49.643 2.256 0.763 0.528 0.949 0.577 CB 1.449 79 residues pruned to eliminate duplicates Z: 26 37.571 2.286 1.033 0.694 0.920 0.560 CB 1.472 26 residues pruned to eliminate duplicates Z: 16 9.678 1.853 0.287 0.418 0.933 0.600 CB 1.223 16 residues pruned to eliminate duplicates Z: 7 9.966 1.844 0.261 0.857 1.000 0.833 CB 1.289 7 residues pruned to eliminate duplicates Z: 10 11.165 1.935 0.655 0.485 0.889 0.444 CB 1.328 10 residues pruned to eliminate duplicates Z: 11 9.182 1.570 0.270 0.838 0.900 0.600 CB 1.209 10 residues pruned to eliminate duplicates Z: 43 44.333 2.386 0.809 0.523 0.905 0.619 CB 1.713 43 residues pruned to eliminate duplicates Z: 91 69.897 2.473 0.898 0.462 0.911 0.567 CB 1.790 91 residues pruned to eliminate duplicates Z: 89 54.077 2.256 0.802 0.484 0.920 0.670 CB 1.567 89 residues pruned to eliminate duplicates Z: 11 26.236 2.360 0.557 0.871 1.000 0.800 CB 1.647 11 residues pruned to eliminate duplicates Z: 28 30.390 2.216 0.952 0.596 0.889 0.630 CB 1.388 28 residues pruned to eliminate duplicates Z: 31 14.350 1.747 0.516 0.518 0.800 0.600 CB 1.214 31 residues pruned to eliminate duplicates Z: 11 13.423 1.791 0.325 0.870 1.000 0.800 CB 1.305 11 residues pruned to eliminate duplicates Z: 9 14.668 1.734 0.564 0.837 1.000 0.500 CB 1.430 9 residues pruned to eliminate duplicates Z: 33 20.782 1.959 0.677 0.439 0.875 0.594 CB 1.361 33 residues pruned to eliminate duplicates Z: 17 18.343 2.111 0.729 0.880 0.875 0.688 CB 1.041 17 residues pruned to eliminate duplicates Z: 9 14.588 2.090 0.172 0.849 0.875 0.750 CA 1.784 9 residues pruned to eliminate duplicates Z: 15 20.248 1.856 0.665 0.805 0.929 0.643 CB 1.445 15 residues pruned to eliminate duplicates Z: 17 16.277 2.109 0.710 0.466 0.875 0.812 CB 1.335 17 residues pruned to eliminate duplicates 8 1.974 1.435 0.329 0.317 0.571 0.429 N 0.838 ? Z: 8 8.705 1.702 0.560 0.614 1.000 0.857 CA 1.113 Z: 6 2.309 1.294 -0.238 0.756 0.800 0.400 CA 1.041 Z: 66 43.086 2.149 0.687 0.520 0.923 0.569 CB 1.566 72 residues pruned to eliminate duplicates Z: 96 79.127 2.535 1.020 0.492 0.874 0.600 CB 1.829 96 residues pruned to eliminate duplicates Z: 49 32.678 2.185 0.570 0.531 0.938 0.708 CB 1.423 50 residues pruned to eliminate duplicates Z: 115 53.041 2.257 0.757 0.471 0.860 0.623 CB 1.501 115 residues pruned to eliminate duplicates Z: 6 9.198 2.149 0.235 0.713 1.000 1.000 CA 1.277 6 residues pruned to eliminate duplicates Z: 10 8.391 1.877 0.758 0.415 0.889 0.556 CB 1.042 10 residues pruned to eliminate duplicates Z: 8 2.333 1.582 -0.083 0.420 0.857 0.286 CB 0.770 Z: 8 6.788 1.794 0.456 0.750 0.857 0.714 CA 0.917 Z: 10 11.225 1.721 0.320 0.903 1.000 0.889 CB 1.174 Z: 32 21.206 1.983 0.531 0.499 0.871 0.710 CB 1.442 32 residues pruned to eliminate duplicates Z: 14 25.500 2.235 0.783 0.837 0.846 0.462 CB 1.568 14 residues pruned to eliminate duplicates Z: 9 12.310 1.742 0.755 0.779 0.875 0.500 CB 1.272 7 residues pruned to eliminate duplicates Z: 94 69.169 2.408 0.931 0.536 0.914 0.548 CB 1.629 94 residues pruned to eliminate duplicates Z: 27 11.070 1.877 0.260 0.516 0.808 0.577 CB 1.118 27 residues pruned to eliminate duplicates Z: 74 48.570 2.207 0.818 0.518 0.918 0.671 CB 1.517 74 residues pruned to eliminate duplicates Z: 23 15.753 2.074 0.456 0.357 0.909 0.682 CB 1.428 23 residues pruned to eliminate duplicates Z: 10 33.254 2.409 0.836 0.861 1.000 0.556 CA 1.842 10 residues pruned to eliminate duplicates Z: 53 37.685 2.167 0.577 0.572 1.000 0.808 CB 1.427 51 residues pruned to eliminate duplicates Z: 58 34.575 2.100 0.508 0.583 0.895 0.632 CB 1.492 68 residues pruned to eliminate duplicates Z: 20 15.167 2.021 0.825 0.403 0.789 0.474 CB 1.324 20 residues pruned to eliminate duplicates Z: 12 11.286 1.668 0.395 0.809 1.000 0.636 CB 1.117 12 residues pruned to eliminate duplicates Z: 7 9.634 1.894 1.005 0.598 0.667 0.500 CA 1.415 7 residues pruned to eliminate duplicates Z: 11 9.588 1.797 0.540 0.544 0.900 0.700 CB 1.166 Z: 14 15.955 1.963 0.750 0.544 1.000 0.769 CB 1.234 14 residues pruned to eliminate duplicates Z: 12 12.517 1.640 0.402 0.839 0.909 0.636 CB 1.349 12 residues pruned to eliminate duplicates Z: 19 20.598 2.096 0.532 0.703 0.944 0.556 CB 1.331 Z: 16 22.980 2.079 0.646 0.749 0.933 0.467 CB 1.487 16 residues pruned to eliminate duplicates Z: 34 27.302 2.158 0.941 0.404 0.848 0.606 CB 1.479 34 residues pruned to eliminate duplicates Z: 22 25.530 2.110 0.618 0.729 0.905 0.571 CB 1.467 22 residues pruned to eliminate duplicates Z: 11 16.370 1.960 0.351 0.823 0.900 0.600 CA 1.643 11 residues pruned to eliminate duplicates Z: 8 8.118 2.167 0.539 0.321 0.714 0.571 CA 1.570 Z: 43 36.258 2.114 0.845 0.514 0.905 0.595 CB 1.563 43 residues pruned to eliminate duplicates Z: 79 48.362 2.210 0.790 0.572 0.910 0.615 CB 1.419 79 residues pruned to eliminate duplicates Z: 11 7.665 1.616 0.461 0.435 0.900 0.500 CB 1.221 11 residues pruned to eliminate duplicates Z: 11 25.461 2.281 0.900 0.905 1.000 0.500 CB 1.322 11 residues pruned to eliminate duplicates Z: 18 15.712 2.070 0.380 0.672 0.941 0.647 CB 1.210 18 residues pruned to eliminate duplicates Z: 10 21.746 2.109 0.403 0.891 1.000 0.667 CB 1.761 10 residues pruned to eliminate duplicates Z: 6 6.762 1.706 0.431 0.675 0.800 0.800 CA 1.318 6 residues pruned to eliminate duplicates Z: 10 12.661 1.709 0.466 0.912 1.000 0.667 CB 1.193 Z: 24 15.475 1.711 0.515 0.598 0.913 0.696 CB 1.242 11 residues pruned to eliminate duplicates Z: 8 14.166 1.844 0.615 0.902 1.000 0.857 CB 1.283 8 residues pruned to eliminate duplicates Z: 6 3.342 1.314 0.535 0.392 0.800 0.600 C 1.039 Z: 58 50.438 2.355 0.995 0.505 0.895 0.579 CB 1.581 40 residues pruned to eliminate duplicates Z: 12 38.125 2.394 1.436 0.594 1.000 0.636 CA 1.802 14 residues pruned to eliminate duplicates Z: 28 43.757 2.311 1.192 0.671 0.963 0.630 CB 1.474 46 residues pruned to eliminate duplicates Z: 14 25.175 2.075 0.708 0.879 0.923 0.769 CB 1.548 14 residues pruned to eliminate duplicates Z: 12 5.200 1.662 0.273 0.452 0.636 0.364 CB 1.223 18 residues pruned to eliminate duplicates Z: 10 23.701 2.243 0.991 0.692 0.889 0.667 CA 1.670 10 residues pruned to eliminate duplicates Z: 15 23.526 2.153 0.510 0.919 0.929 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 6 8.625 1.990 0.141 0.500 1.000 0.200 C 1.700 6 residues pruned to eliminate duplicates Z: 12 9.364 1.702 0.134 0.837 0.909 0.727 CB 1.202 12 residues pruned to eliminate duplicates Z: 48 47.585 2.333 0.834 0.538 0.936 0.766 CB 1.669 48 residues pruned to eliminate duplicates Z: 6 8.999 2.105 0.242 0.656 0.800 0.600 CB 1.664 6 residues pruned to eliminate duplicates Z: 42 32.653 2.157 0.939 0.426 0.927 0.585 CB 1.420 42 residues pruned to eliminate duplicates Z: 57 64.222 2.425 0.976 0.546 0.964 0.696 CB 1.777 57 residues pruned to eliminate duplicates Z: 18 24.500 2.265 0.328 0.843 1.000 0.647 CB 1.472 19 residues pruned to eliminate duplicates Z: 8 7.056 1.753 0.739 0.573 1.000 0.714 CB 0.815 Z: 7 4.092 1.887 0.228 0.364 1.000 0.500 CB 0.835 7 residues pruned to eliminate duplicates Z: 47 44.862 2.318 0.909 0.512 0.935 0.609 CB 1.581 36 residues pruned to eliminate duplicates Z: 9 6.923 1.574 0.945 0.542 0.875 0.875 CB 0.877 Z: 9 12.631 1.661 0.619 0.894 1.000 0.750 CB 1.191 9 residues pruned to eliminate duplicates Z: 6 7.756 1.509 0.732 0.616 1.000 0.400 N 1.189 Z: 22 19.758 2.020 0.693 0.411 0.952 0.810 CB 1.453 22 residues pruned to eliminate duplicates Z: 10 4.404 1.518 0.228 0.305 0.778 0.556 CA 1.258 Z: 6 2.665 1.456 -0.090 0.505 1.000 0.400 CB 0.895 Z: 48 26.187 1.945 0.542 0.588 0.872 0.617 CB 1.342 50 residues pruned to eliminate duplicates Z: 29 27.483 2.079 0.962 0.447 0.893 0.536 CB 1.506 29 residues pruned to eliminate duplicates Z: 48 40.508 2.241 0.726 0.614 0.894 0.660 CB 1.535 74 residues pruned to eliminate duplicates Z: 13 9.340 1.593 0.093 0.847 1.000 0.833 CB 1.149 13 residues pruned to eliminate duplicates Z: 17 18.478 2.029 0.938 0.500 0.875 0.562 CB 1.342 17 residues pruned to eliminate duplicates Z: 12 12.612 1.688 0.387 0.792 1.000 0.818 CB 1.257 12 residues pruned to eliminate duplicates Z: 36 41.670 2.487 0.875 0.462 0.829 0.571 CB 1.896 36 residues pruned to eliminate duplicates Z: 71 51.327 2.319 0.745 0.499 0.929 0.643 CB 1.635 71 residues pruned to eliminate duplicates Z: 21 22.035 2.052 0.598 0.659 0.850 0.600 CB 1.525 21 residues pruned to eliminate duplicates Z: 20 31.264 2.162 1.002 0.712 0.947 0.684 CB 1.443 20 residues pruned to eliminate duplicates Z: 13 31.796 2.253 1.007 0.866 0.917 0.667 CB 1.621 13 residues pruned to eliminate duplicates Z: 14 25.699 2.163 0.929 0.932 1.000 0.385 CB 1.193 14 residues pruned to eliminate duplicates Z: 10 20.473 2.068 0.438 0.878 1.000 0.778 CB 1.664 10 residues pruned to eliminate duplicates Z: 19 14.461 2.153 0.537 0.357 0.889 0.556 CB 1.352 19 residues pruned to eliminate duplicates Z: 11 42.802 2.461 1.018 0.893 1.000 0.900 CB 1.956 11 residues pruned to eliminate duplicates Z: 19 30.878 2.159 0.985 0.824 0.944 0.611 CB 1.358 19 residues pruned to eliminate duplicates Z: 7 5.972 1.790 0.130 0.843 0.833 0.667 CB 1.077 7 residues pruned to eliminate duplicates Z: 61 57.781 2.324 0.878 0.549 0.967 0.617 CB 1.686 61 residues pruned to eliminate duplicates Z: 9 4.908 1.493 0.645 0.386 0.750 0.625 CB 1.063 7 residues pruned to eliminate duplicates Z: 14 12.104 1.554 0.553 0.774 0.923 0.385 CB 1.183 14 residues pruned to eliminate duplicates Z: 11 16.294 1.902 0.620 0.808 0.800 0.600 CB 1.598 11 residues pruned to eliminate duplicates Z: 21 12.965 2.033 0.516 0.368 0.750 0.600 CB 1.446 21 residues pruned to eliminate duplicates Z: 8 3.164 1.651 0.136 0.411 0.714 0.571 CB 0.980 7 residues pruned to eliminate duplicates Z: 113 79.100 2.463 0.923 0.495 0.893 0.643 CB 1.775 123 residues pruned to eliminate duplicates Z: 6 2.125 1.568 0.242 0.335 0.800 0.400 CB 0.730 6 residues pruned to eliminate duplicates Z: 12 3.491 1.542 0.223 0.237 1.000 0.455 CB 0.757 Z: 11 15.366 2.042 0.956 0.733 0.800 0.400 CB 1.233 11 residues pruned to eliminate duplicates Z: 8 7.565 1.643 0.577 0.662 1.000 0.571 CB 0.950 8 residues pruned to eliminate duplicates Z: 41 44.144 2.426 0.988 0.446 0.875 0.600 CB 1.749 41 residues pruned to eliminate duplicates Z: 20 9.684 1.832 0.348 0.396 0.842 0.684 CB 1.192 20 residues pruned to eliminate duplicates Z: 14 15.758 2.031 0.457 0.731 0.923 0.692 CB 1.300 Z: 82 35.509 2.056 0.747 0.413 0.889 0.642 CB 1.354 82 residues pruned to eliminate duplicates Z: 16 30.347 2.035 0.988 0.871 1.000 0.867 CA 1.413 16 residues pruned to eliminate duplicates Z: 6 3.332 1.412 0.665 0.472 0.800 0.600 CB 0.815 6 residues pruned to eliminate duplicates Z: 12 6.766 1.839 0.250 0.434 0.818 0.455 CB 1.162 12 residues pruned to eliminate duplicates Z: 13 23.284 2.109 0.768 0.892 1.000 0.583 CB 1.296 13 residues pruned to eliminate duplicates Z: 52 38.127 2.167 0.688 0.576 0.882 0.647 CB 1.537 89 residues pruned to eliminate duplicates Z: 10 6.052 1.785 0.451 0.329 0.778 0.444 CB 1.208 9 residues pruned to eliminate duplicates Z: 21 29.580 2.115 0.482 0.781 1.000 0.700 CB 1.648 21 residues pruned to eliminate duplicates Z: 9 9.842 1.716 0.373 0.884 0.875 0.875 CB 1.220 Z: 12 12.405 1.717 0.486 0.802 0.909 0.727 CB 1.238 12 residues pruned to eliminate duplicates Z: 28 24.271 1.996 0.472 0.653 0.926 0.778 CB 1.490 28 residues pruned to eliminate duplicates Z: 36 42.439 2.312 0.797 0.619 1.000 0.714 CB 1.543 36 residues pruned to eliminate duplicates Z: 35 37.098 2.519 0.547 0.444 0.941 0.618 CB 1.838 35 residues pruned to eliminate duplicates Z: 16 18.138 2.079 0.163 0.841 0.867 0.800 CB 1.666 16 residues pruned to eliminate duplicates Z: 20 24.334 2.128 0.532 0.810 1.000 0.789 CB 1.307 Z: 7 4.073 1.730 0.244 0.508 0.833 0.500 CB 0.920 Z: 30 33.982 2.247 0.814 0.530 0.897 0.552 CB 1.676 30 residues pruned to eliminate duplicates Z: 12 47.863 2.576 0.971 0.926 1.000 0.909 CB 1.993 12 residues pruned to eliminate duplicates Z: 13 11.808 2.153 0.577 0.383 0.917 0.583 CB 1.241 13 residues pruned to eliminate duplicates Z: 6 7.489 1.936 -0.044 0.664 1.000 0.600 CB 1.555 6 residues pruned to eliminate duplicates Z: 14 22.058 2.146 0.549 0.759 0.923 0.769 CB 1.583 14 residues pruned to eliminate duplicates Z: 6 7.654 1.661 0.398 0.629 1.000 0.600 CB 1.306 6 residues pruned to eliminate duplicates Z: 7 13.840 1.713 0.686 0.856 1.000 1.000 CA 1.443 7 residues pruned to eliminate duplicates Z: 11 12.287 1.769 0.225 0.872 1.000 0.600 CB 1.307 11 residues pruned to eliminate duplicates Z: 65 52.846 2.305 0.884 0.488 0.938 0.625 CB 1.641 65 residues pruned to eliminate duplicates Z: 63 59.453 2.417 0.957 0.517 0.935 0.645 CB 1.678 63 residues pruned to eliminate duplicates Z: 14 18.238 2.152 0.871 0.405 0.846 0.538 CA 1.640 13 residues pruned to eliminate duplicates Z: 15 40.520 2.121 1.161 0.907 0.929 0.714 CA 1.809 15 residues pruned to eliminate duplicates Z: 17 25.228 2.142 0.510 0.793 0.938 0.625 CB 1.609 17 residues pruned to eliminate duplicates Z: 11 11.508 1.772 0.223 0.881 1.000 0.900 CB 1.216 11 residues pruned to eliminate duplicates Z: 6 3.535 1.470 0.803 0.315 0.600 0.600 CA 1.220 6 residues pruned to eliminate duplicates Z: 13 25.980 2.049 0.925 0.901 0.917 0.583 CB 1.480 13 residues pruned to eliminate duplicates Z: 7 5.155 1.817 0.098 0.733 0.833 0.833 CB 1.026 6 residues pruned to eliminate duplicates Z: 82 57.880 2.372 0.901 0.480 0.877 0.593 CB 1.661 82 residues pruned to eliminate duplicates Z: 12 4.883 1.957 0.141 0.325 0.727 0.636 CB 1.098 12 residues pruned to eliminate duplicates Z: 59 38.017 2.161 0.743 0.535 0.931 0.621 CB 1.376 59 residues pruned to eliminate duplicates Z: 68 54.471 2.361 0.928 0.495 0.910 0.672 CB 1.615 68 residues pruned to eliminate duplicates Z: 11 10.921 1.782 0.012 0.884 1.000 0.700 CB 1.385 11 residues pruned to eliminate duplicates Z: 7 10.553 1.855 0.483 0.867 1.000 0.500 CB 1.145 7 residues pruned to eliminate duplicates Z: 18 28.983 1.968 0.973 0.844 0.824 0.588 CA 1.635 18 residues pruned to eliminate duplicates Z: 22 39.899 2.376 1.026 0.643 0.952 0.571 CB 1.662 22 residues pruned to eliminate duplicates Z: 6 2.953 1.768 -0.125 0.348 1.000 0.400 N 1.006 6 residues pruned to eliminate duplicates Z: 87 45.308 2.125 0.741 0.449 0.907 0.570 CB 1.533 87 residues pruned to eliminate duplicates Z: 60 61.134 2.502 0.872 0.473 0.881 0.644 CB 1.981 60 residues pruned to eliminate duplicates Z: 6 3.255 1.360 0.676 0.404 0.800 0.400 CA 0.883 6 residues pruned to eliminate duplicates Z: 9 5.372 1.674 0.323 0.389 0.875 0.375 CB 1.103 9 residues pruned to eliminate duplicates Z: 10 3.856 1.431 0.256 0.446 0.889 0.333 CB 0.850 10 residues pruned to eliminate duplicates Z: 11 12.928 2.105 0.740 0.486 0.800 0.500 CB 1.414 11 residues pruned to eliminate duplicates Z: 21 23.020 2.118 0.357 0.686 0.950 0.550 CB 1.590 21 residues pruned to eliminate duplicates Z: 6 6.731 1.659 0.078 0.809 1.000 0.800 CB 1.286 Z: 109 74.878 2.471 0.923 0.474 0.880 0.630 CB 1.770 109 residues pruned to eliminate duplicates Z: 21 20.562 2.175 0.405 0.620 0.800 0.450 CB 1.678 21 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 25 31.443 2.274 0.936 0.485 0.958 0.583 CB 1.545 30 residues pruned to eliminate duplicates Z: 9 10.050 1.804 0.777 0.437 0.875 0.500 CB 1.352 Z: 11 14.125 1.629 0.485 0.889 1.000 0.800 CA 1.329 9 residues pruned to eliminate duplicates Z: 10 11.429 1.711 0.316 0.863 1.000 0.889 CB 1.241 10 residues pruned to eliminate duplicates Z: 29 29.280 1.973 0.561 0.675 1.000 0.786 CB 1.530 40 residues pruned to eliminate duplicates Z: 30 29.807 1.957 0.627 0.695 0.966 0.828 CB 1.507 30 residues pruned to eliminate duplicates Z: 40 28.943 2.013 0.749 0.562 0.846 0.692 CB 1.464 40 residues pruned to eliminate duplicates Z: 30 26.860 1.950 0.578 0.656 0.931 0.828 CB 1.506 30 residues pruned to eliminate duplicates Z: 42 26.728 1.971 0.752 0.539 0.854 0.634 CB 1.362 42 residues pruned to eliminate duplicates Z: 59 38.978 2.100 0.751 0.609 0.879 0.707 CB 1.427 79 residues pruned to eliminate duplicates Z: 50 25.544 1.993 0.466 0.566 0.857 0.490 CB 1.367 51 residues pruned to eliminate duplicates Z: 18 29.395 2.244 0.484 0.798 1.000 0.529 CB 1.649 18 residues pruned to eliminate duplicates Z: 19 26.464 2.120 0.518 0.807 0.944 0.389 CB 1.570 19 residues pruned to eliminate duplicates Z: 19 24.595 2.154 0.461 0.767 0.944 0.333 CB 1.539 18 residues pruned to eliminate duplicates Z: 16 25.947 2.059 0.552 0.780 1.000 0.600 CA 1.638 16 residues pruned to eliminate duplicates Z: 21 28.170 2.175 0.562 0.711 0.900 0.600 CB 1.701 22 residues pruned to eliminate duplicates Z: 16 31.253 2.151 0.798 0.844 0.933 0.667 CB 1.662 16 residues pruned to eliminate duplicates Z: 21 26.220 2.191 0.588 0.673 0.900 0.500 CB 1.597 21 residues pruned to eliminate duplicates Z: 22 27.756 2.178 0.499 0.643 1.000 0.619 CB 1.623 22 residues pruned to eliminate duplicates Z: 18 24.881 2.166 0.583 0.645 0.882 0.588 CB 1.742 18 residues pruned to eliminate duplicates Z: 21 23.780 2.190 0.482 0.691 0.850 0.450 CB 1.617 21 residues pruned to eliminate duplicates Z: 21 27.403 2.182 0.501 0.712 0.950 0.650 CB 1.624 21 residues pruned to eliminate duplicates Z: 21 25.022 2.188 0.473 0.703 0.900 0.750 CB 1.603 21 residues pruned to eliminate duplicates Z: 20 27.495 2.211 0.463 0.720 0.947 0.579 CB 1.687 20 residues pruned to eliminate duplicates Z: 23 27.763 2.043 0.592 0.682 0.955 0.636 CB 1.613 23 residues pruned to eliminate duplicates Z: 19 26.671 2.204 0.513 0.729 0.889 0.778 CA 1.725 19 residues pruned to eliminate duplicates Z: 18 23.121 2.159 0.435 0.703 0.882 0.824 CB 1.706 18 residues pruned to eliminate duplicates Z: 45 23.219 1.961 0.613 0.523 0.818 0.545 CB 1.323 45 residues pruned to eliminate duplicates Z: 49 30.054 2.006 0.545 0.602 0.917 0.646 CB 1.385 52 residues pruned to eliminate duplicates Z: 6 5.193 1.782 0.402 0.431 0.800 0.600 CA 1.248 6 residues pruned to eliminate duplicates Z: 28 23.893 2.146 0.505 0.608 0.889 0.556 CB 1.445 28 residues pruned to eliminate duplicates Z: 47 22.573 1.929 0.430 0.564 0.826 0.565 CB 1.372 47 residues pruned to eliminate duplicates Z: 40 21.647 1.996 0.405 0.539 0.872 0.615 CB 1.364 40 residues pruned to eliminate duplicates Z: 43 13.684 1.769 0.475 0.371 0.810 0.405 CB 1.148 43 residues pruned to eliminate duplicates Z: 19 7.183 1.804 0.203 0.399 0.722 0.500 CB 1.202 19 residues pruned to eliminate duplicates Z: 50 28.752 1.982 0.557 0.602 0.898 0.694 CB 1.345 50 residues pruned to eliminate duplicates Z: 17 11.106 1.744 0.492 0.511 0.938 0.625 CB 1.126 17 residues pruned to eliminate duplicates Z: 37 14.412 1.688 0.582 0.535 0.833 0.639 CB 1.043 30 residues pruned to eliminate duplicates Z: 11 14.538 1.752 0.325 0.846 1.000 0.900 CB 1.471 11 residues pruned to eliminate duplicates Z: 22 11.838 1.655 0.399 0.650 0.857 0.667 CB 1.131 22 residues pruned to eliminate duplicates Z: 29 8.929 1.708 0.372 0.403 0.714 0.464 CB 1.116 37 residues pruned to eliminate duplicates Z: 15 11.981 1.776 0.497 0.567 0.929 0.714 CB 1.216 15 residues pruned to eliminate duplicates Z: 58 27.118 1.946 0.503 0.524 0.877 0.579 CB 1.367 70 residues pruned to eliminate duplicates Z: 11 9.532 1.678 0.135 0.780 0.900 0.600 CA 1.374 11 residues pruned to eliminate duplicates Z: 29 11.887 1.654 0.385 0.520 0.857 0.607 CB 1.122 29 residues pruned to eliminate duplicates Z: 49 28.024 2.004 0.498 0.607 0.875 0.604 CB 1.391 49 residues pruned to eliminate duplicates Z: 42 24.828 2.086 0.352 0.606 0.854 0.659 CB 1.457 42 residues pruned to eliminate duplicates Z: 23 11.359 1.759 0.314 0.494 0.818 0.500 CB 1.289 23 residues pruned to eliminate duplicates Z: 58 33.158 2.006 0.731 0.495 0.895 0.579 CB 1.421 58 residues pruned to eliminate duplicates Z: 21 8.206 1.619 0.339 0.329 0.900 0.450 CB 1.134 21 residues pruned to eliminate duplicates Z: 58 25.221 1.877 0.495 0.520 0.912 0.509 CB 1.279 60 residues pruned to eliminate duplicates Z: 6 5.339 1.890 0.566 0.377 0.800 0.400 CB 1.150 6 residues pruned to eliminate duplicates Z: 91 54.119 2.253 0.796 0.476 0.933 0.644 CB 1.547 91 residues pruned to eliminate duplicates Z: 119 55.953 2.257 0.761 0.466 0.873 0.559 CB 1.536 119 residues pruned to eliminate duplicates Z: 28 19.604 1.925 0.747 0.433 0.926 0.519 CB 1.298 28 residues pruned to eliminate duplicates Z: 25 20.749 2.001 0.860 0.442 0.917 0.625 CB 1.318 25 residues pruned to eliminate duplicates Z: 54 36.616 2.077 0.808 0.438 0.925 0.642 CB 1.545 54 residues pruned to eliminate duplicates Z: 85 51.337 2.245 0.720 0.494 0.929 0.583 CB 1.572 85 residues pruned to eliminate duplicates Z: 91 53.276 2.241 0.832 0.470 0.911 0.578 CB 1.548 91 residues pruned to eliminate duplicates Z: 114 63.410 2.262 0.864 0.493 0.929 0.584 CB 1.533 114 residues pruned to eliminate duplicates Z: 26 21.826 2.025 0.846 0.420 0.920 0.680 CB 1.381 26 residues pruned to eliminate duplicates Z: 44 36.618 2.106 0.878 0.506 0.907 0.628 CB 1.548 44 residues pruned to eliminate duplicates Z: 85 52.243 2.243 0.777 0.499 0.929 0.643 CB 1.542 85 residues pruned to eliminate duplicates Z: 26 21.434 1.993 0.827 0.418 0.880 0.560 CB 1.458 26 residues pruned to eliminate duplicates Z: 118 60.898 2.251 0.821 0.478 0.915 0.581 CB 1.535 118 residues pruned to eliminate duplicates Z: 101 62.566 2.340 0.838 0.497 0.920 0.590 CB 1.587 101 residues pruned to eliminate duplicates Z: 42 37.475 2.143 0.874 0.524 0.927 0.683 CB 1.536 42 residues pruned to eliminate duplicates Z: 43 37.310 2.140 0.860 0.511 0.905 0.619 CB 1.580 43 residues pruned to eliminate duplicates Z: 7 12.492 2.173 0.977 0.389 0.833 0.667 CB 1.602 7 residues pruned to eliminate duplicates Z: 115 63.325 2.287 0.811 0.486 0.930 0.596 CB 1.561 115 residues pruned to eliminate duplicates Z: 80 52.319 2.269 0.744 0.498 0.949 0.608 CB 1.570 80 residues pruned to eliminate duplicates Z: 75 49.816 2.300 0.810 0.484 0.878 0.581 CB 1.610 75 residues pruned to eliminate duplicates Z: 89 51.711 2.250 0.777 0.478 0.909 0.636 CB 1.551 89 residues pruned to eliminate duplicates Z: 91 51.069 2.242 0.766 0.471 0.900 0.622 CB 1.556 91 residues pruned to eliminate duplicates Z: 90 53.855 2.229 0.742 0.484 0.955 0.596 CB 1.565 90 residues pruned to eliminate duplicates Z: 71 47.470 2.322 0.759 0.470 0.886 0.529 CB 1.617 71 residues pruned to eliminate duplicates Z: 88 48.392 2.224 0.736 0.475 0.897 0.586 CB 1.538 88 residues pruned to eliminate duplicates Z: 96 45.787 2.195 0.704 0.444 0.874 0.621 CB 1.522 96 residues pruned to eliminate duplicates Z: 114 58.139 2.273 0.741 0.493 0.903 0.584 CB 1.542 114 residues pruned to eliminate duplicates Z: 114 63.990 2.276 0.880 0.485 0.920 0.602 CB 1.552 114 residues pruned to eliminate duplicates Z: 114 62.478 2.266 0.834 0.491 0.912 0.611 CB 1.565 114 residues pruned to eliminate duplicates Z: 90 48.497 2.234 0.766 0.452 0.888 0.573 CB 1.542 90 residues pruned to eliminate duplicates Z: 70 49.566 2.332 0.816 0.469 0.884 0.551 CB 1.644 70 residues pruned to eliminate duplicates Z: 25 30.997 2.195 0.912 0.500 0.917 0.458 CA 1.644 25 residues pruned to eliminate duplicates Z: 95 48.211 2.198 0.728 0.459 0.915 0.585 CB 1.492 95 residues pruned to eliminate duplicates Z: 70 48.459 2.242 0.729 0.522 0.942 0.609 CB 1.562 70 residues pruned to eliminate duplicates Z: 84 52.631 2.234 0.808 0.496 0.916 0.627 CB 1.568 84 residues pruned to eliminate duplicates Z: 114 60.080 2.276 0.842 0.482 0.894 0.575 CB 1.535 114 residues pruned to eliminate duplicates Z: 115 58.051 2.260 0.786 0.482 0.904 0.623 CB 1.518 115 residues pruned to eliminate duplicates Z: 72 51.295 2.322 0.839 0.481 0.915 0.592 CB 1.588 72 residues pruned to eliminate duplicates Z: 91 51.134 2.219 0.701 0.470 0.944 0.611 CB 1.559 91 residues pruned to eliminate duplicates Z: 67 46.060 2.292 0.832 0.498 0.864 0.606 CB 1.566 67 residues pruned to eliminate duplicates Z: 88 49.735 2.227 0.712 0.482 0.943 0.621 CB 1.512 88 residues pruned to eliminate duplicates Z: 63 43.479 2.321 0.655 0.509 0.887 0.710 CB 1.606 63 residues pruned to eliminate duplicates Z: 114 63.334 2.271 0.838 0.487 0.920 0.602 CB 1.571 114 residues pruned to eliminate duplicates Z: 127 65.291 2.286 0.859 0.475 0.913 0.659 CB 1.538 127 residues pruned to eliminate duplicates Z: 71 48.712 2.326 0.699 0.506 0.929 0.543 CB 1.577 71 residues pruned to eliminate duplicates Z: 95 64.099 2.344 0.896 0.492 0.904 0.585 CB 1.659 95 residues pruned to eliminate duplicates Z: 90 53.564 2.257 0.757 0.486 0.944 0.663 CB 1.538 90 residues pruned to eliminate duplicates Z: 73 52.600 2.352 0.858 0.505 0.917 0.625 CB 1.539 73 residues pruned to eliminate duplicates Z: 50 37.932 2.307 0.685 0.477 0.939 0.633 CB 1.521 50 residues pruned to eliminate duplicates Z: 95 64.598 2.334 0.888 0.509 0.936 0.543 CB 1.601 95 residues pruned to eliminate duplicates Z: 51 35.947 2.274 0.678 0.459 0.920 0.660 CB 1.510 51 residues pruned to eliminate duplicates Z: 61 50.472 2.298 0.912 0.555 0.900 0.683 CB 1.563 61 residues pruned to eliminate duplicates Z: 34 25.043 2.271 0.529 0.434 0.909 0.606 CB 1.478 34 residues pruned to eliminate duplicates Z: 115 58.939 2.276 0.799 0.472 0.895 0.623 CB 1.551 115 residues pruned to eliminate duplicates Z: 36 22.263 2.204 0.443 0.422 0.886 0.543 CB 1.448 36 residues pruned to eliminate duplicates Z: 70 53.442 2.265 0.832 0.525 0.957 0.667 CB 1.581 70 residues pruned to eliminate duplicates Z: 95 56.190 2.337 0.811 0.511 0.872 0.564 CB 1.552 95 residues pruned to eliminate duplicates Z: 52 37.075 2.277 0.740 0.465 0.922 0.608 CB 1.474 52 residues pruned to eliminate duplicates Z: 71 48.240 2.315 0.778 0.459 0.943 0.557 CB 1.549 71 residues pruned to eliminate duplicates Z: 90 47.723 2.228 0.663 0.484 0.899 0.573 CB 1.543 90 residues pruned to eliminate duplicates Z: 36 28.330 2.247 0.641 0.415 0.943 0.629 CB 1.506 36 residues pruned to eliminate duplicates Z: 117 61.717 2.241 0.836 0.494 0.931 0.647 CB 1.506 117 residues pruned to eliminate duplicates Z: 89 49.959 2.192 0.781 0.472 0.920 0.625 CB 1.524 89 residues pruned to eliminate duplicates Z: 61 48.264 2.286 0.870 0.547 0.917 0.567 CB 1.519 61 residues pruned to eliminate duplicates Z: 55 34.867 2.223 0.725 0.444 0.889 0.648 CB 1.474 55 residues pruned to eliminate duplicates Z: 17 16.340 2.188 0.559 0.408 0.875 0.688 CB 1.508 17 residues pruned to eliminate duplicates Z: 47 32.414 2.271 0.796 0.449 0.848 0.587 CB 1.457 47 residues pruned to eliminate duplicates Z: 92 44.803 2.173 0.806 0.427 0.890 0.505 CB 1.451 92 residues pruned to eliminate duplicates Z: 31 13.160 1.966 0.449 0.274 0.833 0.433 CB 1.307 31 residues pruned to eliminate duplicates Z: 116 57.438 2.214 0.837 0.484 0.913 0.626 CB 1.466 116 residues pruned to eliminate duplicates Z: 34 25.880 2.221 0.555 0.471 0.909 0.515 CB 1.478 34 residues pruned to eliminate duplicates Z: 18 17.061 2.186 0.484 0.392 0.941 0.706 CB 1.520 18 residues pruned to eliminate duplicates Z: 46 35.300 2.298 0.763 0.438 0.911 0.644 CB 1.519 46 residues pruned to eliminate duplicates Z: 82 53.087 2.267 0.863 0.485 0.914 0.605 CB 1.552 82 residues pruned to eliminate duplicates Z: 43 31.956 2.241 0.912 0.372 0.881 0.571 CB 1.498 43 residues pruned to eliminate duplicates Z: 89 48.585 2.170 0.836 0.478 0.898 0.648 CB 1.482 89 residues pruned to eliminate duplicates Z: 46 34.471 2.301 0.866 0.454 0.867 0.667 CB 1.447 46 residues pruned to eliminate duplicates Z: 70 49.694 2.339 0.853 0.517 0.913 0.609 CB 1.487 70 residues pruned to eliminate duplicates Z: 30 35.742 2.438 1.033 0.493 0.862 0.655 CB 1.563 30 residues pruned to eliminate duplicates Z: 88 44.224 2.168 0.771 0.440 0.897 0.586 CB 1.466 88 residues pruned to eliminate duplicates Z: 73 48.723 2.306 0.836 0.474 0.917 0.625 CB 1.519 73 residues pruned to eliminate duplicates Z: 73 50.871 2.328 0.870 0.500 0.889 0.597 CB 1.550 73 residues pruned to eliminate duplicates Z: 31 33.612 2.364 0.900 0.494 0.900 0.600 CB 1.527 31 residues pruned to eliminate duplicates Z: 45 32.147 2.224 0.887 0.359 0.864 0.523 CB 1.556 45 residues pruned to eliminate duplicates Z: 47 40.109 2.287 0.995 0.456 0.870 0.609 CB 1.559 47 residues pruned to eliminate duplicates Z: 30 36.386 2.390 1.004 0.483 0.897 0.621 CB 1.601 30 residues pruned to eliminate duplicates Z: 27 30.640 2.356 1.066 0.552 0.808 0.577 CB 1.453 27 residues pruned to eliminate duplicates Z: 26 41.652 2.423 1.093 0.599 0.920 0.560 CB 1.626 26 residues pruned to eliminate duplicates Z: 28 37.953 2.376 1.062 0.554 0.926 0.556 CB 1.528 28 residues pruned to eliminate duplicates Z: 32 36.740 2.372 0.989 0.527 0.871 0.710 CB 1.563 32 residues pruned to eliminate duplicates Z: 28 36.763 2.371 1.044 0.563 0.926 0.556 CB 1.483 28 residues pruned to eliminate duplicates Z: 29 36.608 2.306 1.127 0.550 0.893 0.607 CB 1.504 29 residues pruned to eliminate duplicates Z: 47 43.105 2.288 0.977 0.507 0.891 0.565 CB 1.567 47 residues pruned to eliminate duplicates Z: 101 60.356 2.266 0.959 0.494 0.870 0.530 CB 1.573 101 residues pruned to eliminate duplicates Z: 82 63.696 2.362 0.955 0.533 0.914 0.605 CB 1.624 82 residues pruned to eliminate duplicates Z: 68 49.852 2.341 0.975 0.507 0.851 0.597 CB 1.538 68 residues pruned to eliminate duplicates Z: 31 37.737 2.416 0.968 0.537 0.867 0.667 CB 1.613 31 residues pruned to eliminate duplicates Z: 27 40.447 2.432 1.111 0.556 0.885 0.500 CB 1.654 27 residues pruned to eliminate duplicates Z: 28 41.961 2.386 1.145 0.563 0.926 0.667 CB 1.603 28 residues pruned to eliminate duplicates Z: 27 41.232 2.451 1.017 0.570 0.923 0.654 CB 1.656 27 residues pruned to eliminate duplicates Z: 55 35.244 2.172 0.808 0.469 0.852 0.537 CB 1.479 55 residues pruned to eliminate duplicates Z: 33 35.428 2.292 1.060 0.458 0.906 0.469 CB 1.529 33 residues pruned to eliminate duplicates Z: 25 39.150 2.427 1.117 0.596 0.917 0.708 CB 1.548 25 residues pruned to eliminate duplicates Z: 25 40.914 2.391 1.225 0.581 0.875 0.542 CB 1.661 25 residues pruned to eliminate duplicates Z: 75 48.154 2.238 0.752 0.541 0.919 0.608 CB 1.493 75 residues pruned to eliminate duplicates Z: 76 50.870 2.256 0.712 0.570 0.960 0.587 CB 1.481 76 residues pruned to eliminate duplicates Z: 39 31.523 2.229 0.764 0.529 0.895 0.395 CB 1.413 39 residues pruned to eliminate duplicates Z: 76 51.834 2.259 0.775 0.579 0.933 0.640 CB 1.482 76 residues pruned to eliminate duplicates Z: 53 34.394 2.155 0.529 0.586 0.923 0.673 CB 1.444 53 residues pruned to eliminate duplicates Z: 53 32.484 2.158 0.462 0.552 0.942 0.635 CB 1.440 53 residues pruned to eliminate duplicates Z: 53 33.853 2.160 0.508 0.573 0.942 0.712 CB 1.426 53 residues pruned to eliminate duplicates Z: 52 34.398 2.185 0.535 0.581 0.961 0.706 CB 1.383 52 residues pruned to eliminate duplicates Z: 12 5.605 1.810 0.011 0.542 0.909 0.727 CB 0.976 12 residues pruned to eliminate duplicates Z: 76 48.731 2.256 0.683 0.561 0.947 0.680 CB 1.476 76 residues pruned to eliminate duplicates Z: 58 35.361 2.116 0.672 0.540 0.930 0.667 CB 1.368 58 residues pruned to eliminate duplicates Z: 53 34.708 2.176 0.462 0.570 0.981 0.673 CB 1.442 53 residues pruned to eliminate duplicates Z: 52 36.036 2.194 0.577 0.569 0.961 0.686 CB 1.419 52 residues pruned to eliminate duplicates Z: 52 30.650 2.146 0.429 0.566 0.961 0.745 CB 1.367 52 residues pruned to eliminate duplicates Z: 53 28.206 2.133 0.479 0.556 0.885 0.692 CB 1.328 53 residues pruned to eliminate duplicates Z: 51 31.218 2.175 0.441 0.565 0.960 0.680 CB 1.378 51 residues pruned to eliminate duplicates Z: 52 37.495 2.194 0.576 0.596 0.980 0.686 CB 1.413 52 residues pruned to eliminate duplicates Z: 52 36.111 2.186 0.567 0.592 0.961 0.706 CB 1.407 52 residues pruned to eliminate duplicates Z: 52 28.147 2.153 0.431 0.568 0.902 0.647 CB 1.328 52 residues pruned to eliminate duplicates Z: 24 20.099 2.226 0.166 0.642 0.957 0.783 CB 1.478 24 residues pruned to eliminate duplicates Z: 53 31.528 2.157 0.452 0.579 0.904 0.692 CB 1.431 53 residues pruned to eliminate duplicates Z: 51 31.341 2.170 0.513 0.533 0.920 0.660 CB 1.420 51 residues pruned to eliminate duplicates Z: 76 53.467 2.266 0.782 0.574 0.973 0.720 CB 1.463 76 residues pruned to eliminate duplicates Z: 37 32.038 2.270 0.716 0.546 0.889 0.639 CB 1.475 37 residues pruned to eliminate duplicates Z: 49 32.857 2.159 0.690 0.527 0.917 0.667 CB 1.381 49 residues pruned to eliminate duplicates Z: 75 39.686 2.177 0.652 0.527 0.905 0.595 CB 1.380 75 residues pruned to eliminate duplicates Z: 66 40.789 2.198 0.561 0.582 0.923 0.708 CB 1.476 98 residues pruned to eliminate duplicates Z: 15 27.625 2.246 0.895 0.918 0.929 0.571 CB 1.318 15 residues pruned to eliminate duplicates Z: 53 37.803 2.175 0.649 0.558 0.962 0.615 CB 1.437 53 residues pruned to eliminate duplicates Z: 38 30.869 2.234 0.674 0.547 0.892 0.703 CB 1.452 38 residues pruned to eliminate duplicates Z: 37 35.282 2.286 0.779 0.564 0.917 0.556 CB 1.483 37 residues pruned to eliminate duplicates Z: 37 32.352 2.274 0.843 0.556 0.833 0.583 CB 1.462 37 residues pruned to eliminate duplicates Z: 37 37.478 2.285 0.845 0.587 0.917 0.694 CB 1.487 37 residues pruned to eliminate duplicates Z: 34 25.686 2.126 0.492 0.625 0.939 0.697 CB 1.334 34 residues pruned to eliminate duplicates Z: 52 37.787 2.172 0.623 0.566 1.000 0.627 CB 1.408 52 residues pruned to eliminate duplicates Z: 78 48.656 2.245 0.787 0.532 0.922 0.649 CB 1.452 78 residues pruned to eliminate duplicates Z: 53 35.136 2.173 0.546 0.554 0.962 0.635 CB 1.431 53 residues pruned to eliminate duplicates Z: 50 36.794 2.186 0.667 0.545 0.980 0.612 CB 1.408 50 residues pruned to eliminate duplicates Z: 77 49.891 2.252 0.823 0.561 0.934 0.618 CB 1.406 77 residues pruned to eliminate duplicates Z: 41 37.051 2.213 0.836 0.545 0.950 0.550 CB 1.452 41 residues pruned to eliminate duplicates Z: 50 35.807 2.185 0.688 0.529 0.959 0.633 CB 1.405 50 residues pruned to eliminate duplicates Z: 75 48.162 2.245 0.769 0.536 0.932 0.541 CB 1.460 75 residues pruned to eliminate duplicates Z: 120 66.575 2.264 0.811 0.526 0.966 0.555 CB 1.501 120 residues pruned to eliminate duplicates Z: 80 49.934 2.179 0.830 0.555 0.949 0.557 CB 1.406 80 residues pruned to eliminate duplicates Z: 38 36.949 2.260 0.820 0.558 0.946 0.676 CB 1.475 38 residues pruned to eliminate duplicates Z: 84 47.927 2.149 0.785 0.524 0.940 0.506 CB 1.425 84 residues pruned to eliminate duplicates Z: 20 33.158 2.386 0.968 0.527 0.895 0.684 CB 1.764 20 residues pruned to eliminate duplicates Z: 41 32.038 2.186 0.849 0.523 0.875 0.550 CB 1.400 41 residues pruned to eliminate duplicates Z: 77 49.504 2.222 0.874 0.559 0.895 0.566 CB 1.439 77 residues pruned to eliminate duplicates Z: 77 50.675 2.224 0.820 0.552 0.947 0.605 CB 1.441 77 residues pruned to eliminate duplicates Z: 61 36.068 2.183 0.727 0.480 0.917 0.667 CB 1.375 61 residues pruned to eliminate duplicates Z: 61 39.595 2.104 0.628 0.620 0.883 0.667 CB 1.507 61 residues pruned to eliminate duplicates Z: 6 3.884 1.660 0.105 0.629 1.000 0.600 CB 0.839 Z: 6 5.600 1.614 0.197 0.786 1.000 0.400 CB 1.008 6 residues pruned to eliminate duplicates Z: 18 24.383 2.208 0.550 0.821 0.882 0.471 CB 1.483 6 residues pruned to eliminate duplicates Z: 19 22.670 2.212 0.270 0.821 0.944 0.500 CB 1.525 19 residues pruned to eliminate duplicates Z: 60 40.753 2.121 0.561 0.637 0.932 0.678 CB 1.512 78 residues pruned to eliminate duplicates Z: 15 26.850 2.439 0.584 0.707 0.857 0.786 CB 1.796 Z: 16 23.380 2.276 0.514 0.753 0.933 0.733 CB 1.498 14 residues pruned to eliminate duplicates Z: 16 27.042 2.256 0.652 0.779 1.000 0.800 CB 1.466 16 residues pruned to eliminate duplicates Z: 22 18.210 2.198 0.471 0.588 0.810 0.429 CB 1.396 22 residues pruned to eliminate duplicates Z: 22 26.314 2.227 0.436 0.686 0.952 0.714 CB 1.590 18 residues pruned to eliminate duplicates Z: 17 21.434 2.181 0.370 0.746 1.000 0.688 CB 1.440 17 residues pruned to eliminate duplicates Z: 22 26.565 2.207 0.467 0.730 0.952 0.762 CB 1.529 21 residues pruned to eliminate duplicates Z: 15 27.483 2.292 0.599 0.772 1.000 0.571 CB 1.576 15 residues pruned to eliminate duplicates Z: 21 27.237 2.238 0.569 0.717 0.900 0.700 CB 1.583 22 residues pruned to eliminate duplicates Z: 17 23.021 2.166 0.663 0.723 0.938 0.688 CB 1.394 17 residues pruned to eliminate duplicates Z: 30 30.944 2.263 0.711 0.642 0.897 0.621 CB 1.449 51 residues pruned to eliminate duplicates Z: 61 38.815 2.095 0.572 0.618 0.900 0.633 CB 1.511 61 residues pruned to eliminate duplicates Z: 22 28.196 2.220 0.621 0.740 0.952 0.714 CB 1.448 Z: 6 7.326 1.696 0.698 0.475 1.000 0.600 CA 1.166 6 residues pruned to eliminate duplicates Z: 60 38.708 2.115 0.617 0.617 0.898 0.712 CB 1.469 82 residues pruned to eliminate duplicates Z: 28 30.702 2.242 0.757 0.674 0.852 0.630 CB 1.499 28 residues pruned to eliminate duplicates Z: 60 37.739 2.097 0.614 0.606 0.898 0.593 CB 1.461 60 residues pruned to eliminate duplicates Z: 60 38.245 2.094 0.586 0.601 0.949 0.644 CB 1.434 60 residues pruned to eliminate duplicates Z: 60 36.122 2.083 0.593 0.604 0.898 0.695 CB 1.430 60 residues pruned to eliminate duplicates Z: 40 28.126 2.027 0.622 0.542 0.897 0.692 CB 1.465 40 residues pruned to eliminate duplicates Z: 60 40.233 2.100 0.656 0.621 0.898 0.712 CB 1.497 60 residues pruned to eliminate duplicates Z: 59 38.283 2.112 0.675 0.584 0.879 0.621 CB 1.491 59 residues pruned to eliminate duplicates Z: 41 28.665 2.008 0.671 0.575 0.875 0.775 CB 1.436 41 residues pruned to eliminate duplicates Z: 61 37.188 2.092 0.553 0.614 0.883 0.633 CB 1.501 61 residues pruned to eliminate duplicates Z: 40 27.368 2.027 0.597 0.554 0.872 0.744 CB 1.474 40 residues pruned to eliminate duplicates Z: 58 36.723 2.124 0.610 0.585 0.895 0.632 CB 1.465 58 residues pruned to eliminate duplicates Z: 31 25.483 1.937 0.594 0.643 0.933 0.733 CB 1.412 31 residues pruned to eliminate duplicates Z: 41 25.695 1.971 0.647 0.556 0.850 0.725 CB 1.394 41 residues pruned to eliminate duplicates Z: 59 35.529 2.113 0.551 0.588 0.879 0.724 CB 1.488 59 residues pruned to eliminate duplicates Z: 51 37.336 2.183 0.627 0.580 0.900 0.720 CB 1.530 51 residues pruned to eliminate duplicates Z: 30 25.260 1.945 0.512 0.677 0.931 0.828 CB 1.455 30 residues pruned to eliminate duplicates Z: 30 29.495 1.959 0.621 0.684 0.966 0.828 CB 1.509 30 residues pruned to eliminate duplicates Z: 40 26.833 1.999 0.712 0.539 0.897 0.692 CB 1.347 40 residues pruned to eliminate duplicates Z: 61 39.703 2.109 0.619 0.625 0.917 0.767 CB 1.457 61 residues pruned to eliminate duplicates Z: 40 27.012 1.999 0.694 0.556 0.872 0.692 CB 1.387 40 residues pruned to eliminate duplicates Z: 23 19.357 2.016 0.794 0.505 0.818 0.682 CB 1.387 23 residues pruned to eliminate duplicates Z: 57 27.983 2.073 0.547 0.450 0.857 0.607 CB 1.432 57 residues pruned to eliminate duplicates Z: 68 42.950 2.240 0.755 0.458 0.881 0.537 CB 1.583 68 residues pruned to eliminate duplicates Z: 128 74.129 2.358 0.772 0.518 0.913 0.583 CB 1.692 128 residues pruned to eliminate duplicates Z: 62 46.259 2.234 0.809 0.503 0.902 0.574 CB 1.620 62 residues pruned to eliminate duplicates Z: 31 23.703 2.055 0.969 0.364 0.867 0.567 CB 1.428 31 residues pruned to eliminate duplicates Z: 92 70.882 2.464 0.888 0.470 0.923 0.593 CB 1.785 92 residues pruned to eliminate duplicates Z: 46 40.957 2.292 0.802 0.486 0.933 0.644 CB 1.606 46 residues pruned to eliminate duplicates Z: 92 66.960 2.434 0.799 0.473 0.934 0.637 CB 1.763 92 residues pruned to eliminate duplicates Z: 86 69.172 2.461 0.885 0.492 0.918 0.565 CB 1.778 86 residues pruned to eliminate duplicates Z: 41 25.224 2.046 0.753 0.502 0.850 0.575 CB 1.306 41 residues pruned to eliminate duplicates Z: 28 20.390 2.079 0.760 0.368 0.926 0.630 CB 1.335 28 residues pruned to eliminate duplicates Z: 27 22.523 2.138 0.822 0.379 0.923 0.654 CB 1.397 27 residues pruned to eliminate duplicates Z: 44 40.902 2.316 0.762 0.458 0.953 0.512 CB 1.675 44 residues pruned to eliminate duplicates Z: 44 42.471 2.264 0.902 0.474 0.930 0.581 CB 1.659 44 residues pruned to eliminate duplicates Z: 44 41.138 2.285 0.816 0.515 0.953 0.581 CB 1.563 44 residues pruned to eliminate duplicates Z: 44 42.697 2.290 0.900 0.484 0.930 0.605 CB 1.635 44 residues pruned to eliminate duplicates Z: 91 77.091 2.475 0.994 0.476 0.944 0.578 CB 1.787 91 residues pruned to eliminate duplicates Z: 24 18.259 2.117 0.933 0.325 0.870 0.609 CB 1.297 24 residues pruned to eliminate duplicates Z: 35 23.610 2.130 0.840 0.334 0.882 0.529 CB 1.405 35 residues pruned to eliminate duplicates Z: 43 44.928 2.322 0.848 0.499 0.952 0.619 CB 1.699 43 residues pruned to eliminate duplicates Z: 28 45.015 2.435 0.981 0.517 0.963 0.519 CA 1.834 28 residues pruned to eliminate duplicates Z: 31 41.279 2.440 0.935 0.511 0.933 0.667 CB 1.692 31 residues pruned to eliminate duplicates Z: 45 41.344 2.246 0.851 0.481 0.932 0.636 CB 1.641 45 residues pruned to eliminate duplicates Z: 58 47.705 2.229 0.852 0.509 0.930 0.632 CB 1.631 58 residues pruned to eliminate duplicates Z: 114 74.401 2.421 0.856 0.492 0.885 0.602 CB 1.775 114 residues pruned to eliminate duplicates Z: 48 38.638 2.283 0.745 0.471 0.936 0.638 CB 1.556 48 residues pruned to eliminate duplicates Z: 90 67.901 2.427 0.936 0.467 0.899 0.584 CB 1.762 90 residues pruned to eliminate duplicates Z: 44 41.391 2.305 0.904 0.464 0.884 0.535 CB 1.688 44 residues pruned to eliminate duplicates Z: 47 37.303 2.270 0.777 0.462 0.913 0.543 CB 1.552 47 residues pruned to eliminate duplicates Z: 125 85.942 2.459 0.999 0.490 0.911 0.613 CB 1.739 125 residues pruned to eliminate duplicates Z: 31 39.403 2.347 0.950 0.489 0.933 0.533 CB 1.703 31 residues pruned to eliminate duplicates Z: 125 80.588 2.451 0.906 0.485 0.911 0.565 CB 1.725 125 residues pruned to eliminate duplicates Z: 114 80.104 2.468 0.935 0.495 0.903 0.655 CB 1.757 114 residues pruned to eliminate duplicates Z: 44 46.369 2.291 0.956 0.490 0.977 0.628 CB 1.632 44 residues pruned to eliminate duplicates Z: 47 42.555 2.294 0.840 0.478 0.913 0.630 CB 1.664 47 residues pruned to eliminate duplicates Z: 43 39.509 2.257 0.898 0.484 0.881 0.595 CB 1.641 43 residues pruned to eliminate duplicates Z: 85 70.523 2.470 0.862 0.505 0.929 0.631 CB 1.793 85 residues pruned to eliminate duplicates Z: 117 78.705 2.458 0.904 0.481 0.922 0.586 CB 1.725 117 residues pruned to eliminate duplicates Z: 97 73.535 2.521 0.921 0.486 0.896 0.594 CB 1.755 97 residues pruned to eliminate duplicates Z: 114 74.281 2.463 0.875 0.490 0.867 0.664 CB 1.764 114 residues pruned to eliminate duplicates Z: 69 66.466 2.562 0.827 0.510 0.912 0.618 CB 1.871 69 residues pruned to eliminate duplicates Z: 88 62.005 2.439 0.805 0.492 0.897 0.632 CB 1.698 88 residues pruned to eliminate duplicates Z: 50 53.538 2.588 0.994 0.463 0.837 0.633 CB 1.840 50 residues pruned to eliminate duplicates Z: 84 72.508 2.532 0.997 0.500 0.892 0.627 CB 1.766 85 residues pruned to eliminate duplicates Z: 6 6.028 1.746 1.217 0.419 0.800 0.800 CB 0.948 6 residues pruned to eliminate duplicates Z: 73 68.218 2.565 0.934 0.496 0.889 0.625 CB 1.832 73 residues pruned to eliminate duplicates Z: 48 52.812 2.521 0.858 0.480 0.894 0.596 CB 1.877 48 residues pruned to eliminate duplicates Z: 98 77.663 2.555 0.959 0.503 0.866 0.577 CB 1.814 98 residues pruned to eliminate duplicates Z: 90 70.927 2.482 0.928 0.461 0.910 0.663 CB 1.795 90 residues pruned to eliminate duplicates Z: 74 63.474 2.495 1.003 0.483 0.863 0.603 CB 1.752 74 residues pruned to eliminate duplicates Z: 49 58.559 2.602 1.040 0.476 0.854 0.604 CB 1.910 49 residues pruned to eliminate duplicates Z: 73 69.661 2.554 0.934 0.510 0.889 0.597 CB 1.852 73 residues pruned to eliminate duplicates Z: 51 52.009 2.553 0.859 0.456 0.860 0.580 CB 1.885 51 residues pruned to eliminate duplicates Z: 73 61.802 2.523 0.898 0.492 0.861 0.597 CB 1.781 73 residues pruned to eliminate duplicates Z: 35 40.003 2.413 0.930 0.403 0.882 0.412 CB 1.848 35 residues pruned to eliminate duplicates Z: 115 70.575 2.432 0.896 0.471 0.860 0.561 CB 1.718 115 residues pruned to eliminate duplicates Z: 74 64.891 2.531 0.902 0.502 0.877 0.616 CB 1.797 74 residues pruned to eliminate duplicates Z: 36 40.127 2.549 0.848 0.379 0.886 0.486 CB 1.848 36 residues pruned to eliminate duplicates Z: 46 54.440 2.548 0.916 0.518 0.889 0.556 CB 1.837 46 residues pruned to eliminate duplicates Z: 34 42.767 2.573 0.849 0.435 0.848 0.576 CB 1.972 34 residues pruned to eliminate duplicates Z: 75 65.423 2.512 0.958 0.478 0.878 0.608 CB 1.800 75 residues pruned to eliminate duplicates Z: 86 72.786 2.481 0.979 0.497 0.929 0.553 CB 1.736 86 residues pruned to eliminate duplicates Z: 73 69.009 2.532 0.908 0.494 0.917 0.639 CB 1.846 73 residues pruned to eliminate duplicates Z: 48 60.645 2.603 1.037 0.477 0.894 0.574 CB 1.911 48 residues pruned to eliminate duplicates Z: 72 63.850 2.537 0.861 0.488 0.873 0.549 CB 1.860 72 residues pruned to eliminate duplicates Z: 56 50.070 2.508 0.723 0.452 0.891 0.545 CB 1.841 56 residues pruned to eliminate duplicates Z: 44 63.081 2.615 0.988 0.544 0.930 0.628 CB 1.905 44 residues pruned to eliminate duplicates Z: 84 69.289 2.438 0.992 0.504 0.892 0.627 CB 1.750 84 residues pruned to eliminate duplicates Z: 58 51.388 2.462 0.967 0.440 0.877 0.561 CB 1.704 58 residues pruned to eliminate duplicates Z: 46 47.771 2.522 0.961 0.425 0.844 0.556 CB 1.843 46 residues pruned to eliminate duplicates Z: 82 72.281 2.540 1.050 0.507 0.864 0.691 CB 1.773 82 residues pruned to eliminate duplicates Z: 35 41.914 2.578 0.864 0.448 0.824 0.588 CB 1.915 35 residues pruned to eliminate duplicates Z: 69 65.846 2.553 0.991 0.494 0.868 0.588 CB 1.822 69 residues pruned to eliminate duplicates Z: 90 69.514 2.451 0.918 0.471 0.910 0.596 CB 1.774 90 residues pruned to eliminate duplicates Z: 36 38.701 2.543 0.740 0.403 0.857 0.486 CB 1.910 36 residues pruned to eliminate duplicates Z: 45 63.732 2.629 1.050 0.470 0.955 0.523 CB 1.924 45 residues pruned to eliminate duplicates Z: 35 45.948 2.583 0.876 0.402 0.971 0.529 CB 1.857 35 residues pruned to eliminate duplicates Z: 89 69.489 2.438 1.013 0.455 0.920 0.534 CB 1.717 89 residues pruned to eliminate duplicates Z: 52 38.569 2.416 0.817 0.394 0.804 0.510 CB 1.713 52 residues pruned to eliminate duplicates Z: 89 66.626 2.430 0.927 0.482 0.920 0.614 CB 1.678 89 residues pruned to eliminate duplicates Z: 89 69.630 2.440 0.956 0.456 0.920 0.625 CB 1.767 89 residues pruned to eliminate duplicates Z: 49 66.753 2.587 1.208 0.459 0.958 0.583 CB 1.835 49 residues pruned to eliminate duplicates Z: 44 47.300 2.447 1.129 0.413 0.884 0.558 CB 1.717 44 residues pruned to eliminate duplicates Z: 75 62.973 2.498 1.009 0.483 0.878 0.595 CB 1.689 75 residues pruned to eliminate duplicates Z: 70 61.755 2.505 0.885 0.458 0.928 0.609 CB 1.772 70 residues pruned to eliminate duplicates Z: 72 71.914 2.554 1.074 0.505 0.901 0.592 CB 1.778 72 residues pruned to eliminate duplicates Z: 83 76.467 2.516 1.070 0.515 0.915 0.646 CB 1.747 83 residues pruned to eliminate duplicates Z: 76 69.104 2.496 1.031 0.480 0.907 0.627 CB 1.771 76 residues pruned to eliminate duplicates Z: 41 42.476 2.333 0.931 0.526 0.850 0.575 CB 1.710 41 residues pruned to eliminate duplicates Z: 61 59.720 2.506 0.910 0.522 0.900 0.683 CB 1.750 61 residues pruned to eliminate duplicates Z: 25 41.467 2.465 0.895 0.610 0.917 0.792 CB 1.782 25 residues pruned to eliminate duplicates Z: 26 40.393 2.446 0.893 0.622 0.920 0.600 CB 1.690 26 residues pruned to eliminate duplicates Z: 37 49.085 2.450 0.982 0.565 0.944 0.694 CB 1.675 37 residues pruned to eliminate duplicates Z: 65 66.582 2.496 1.026 0.545 0.922 0.609 CB 1.708 65 residues pruned to eliminate duplicates Z: 28 35.695 2.380 0.829 0.548 0.889 0.556 CB 1.694 28 residues pruned to eliminate duplicates Z: 27 41.903 2.417 0.865 0.577 0.923 0.731 CB 1.835 27 residues pruned to eliminate duplicates Z: 26 38.072 2.458 0.812 0.587 0.920 0.600 CB 1.709 26 residues pruned to eliminate duplicates Z: 60 54.942 2.434 0.910 0.541 0.881 0.678 CB 1.678 60 residues pruned to eliminate duplicates Z: 28 39.862 2.403 0.924 0.558 0.852 0.630 CB 1.841 28 residues pruned to eliminate duplicates Z: 62 63.888 2.498 1.009 0.552 0.885 0.656 CB 1.751 62 residues pruned to eliminate duplicates Z: 37 29.698 2.267 0.795 0.438 0.806 0.500 CB 1.609 37 residues pruned to eliminate duplicates Z: 32 34.452 2.331 0.813 0.476 0.871 0.645 CB 1.723 32 residues pruned to eliminate duplicates Z: 27 40.721 2.393 1.026 0.563 0.885 0.577 CB 1.752 27 residues pruned to eliminate duplicates Z: 20 26.310 2.318 0.976 0.467 0.895 0.684 CB 1.523 20 residues pruned to eliminate duplicates Z: 60 70.224 2.535 1.081 0.554 0.898 0.661 CB 1.830 60 residues pruned to eliminate duplicates Z: 34 40.290 2.407 0.798 0.492 0.909 0.636 CB 1.796 34 residues pruned to eliminate duplicates Z: 21 24.699 2.306 0.939 0.449 0.850 0.550 CB 1.531 21 residues pruned to eliminate duplicates Z: 37 49.016 2.446 1.012 0.575 0.917 0.694 CB 1.685 37 residues pruned to eliminate duplicates Z: 25 20.339 2.107 1.000 0.383 0.833 0.583 CB 1.338 25 residues pruned to eliminate duplicates Z: 36 48.401 2.504 1.015 0.558 0.914 0.657 CB 1.675 36 residues pruned to eliminate duplicates Z: 23 18.944 2.056 0.733 0.471 0.864 0.545 CA 1.352 11 residues pruned to eliminate duplicates Z: 6 10.567 2.235 1.300 0.326 0.800 0.200 CA 1.390 6 residues pruned to eliminate duplicates Z: 28 43.899 2.327 1.192 0.643 0.926 0.444 CB 1.565 49 residues pruned to eliminate duplicates Z: 6 6.431 1.848 1.040 0.264 0.800 0.400 CA 1.248 6 residues pruned to eliminate duplicates Z: 27 48.457 2.388 1.332 0.678 0.923 0.731 CB 1.569 28 residues pruned to eliminate duplicates Z: 6 8.611 1.832 0.565 0.451 1.000 0.600 CA 1.413 5 residues pruned to eliminate duplicates 355 residues left after pruning, divided into chains as follows: A: 260 B: 9 C: 86 CC for partial structure against native data = 35.79 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.568, Connect. = 0.753 for dens.mod. cycle 1 = 0.300, Contrast = 0.650, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.767, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.776, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.787, Connect. = 0.811 for dens.mod. cycle 5 = 0.300, Contrast = 0.791, Connect. = 0.812 for dens.mod. cycle 6 = 0.300, Contrast = 0.794, Connect. = 0.814 for dens.mod. cycle 7 = 0.300, Contrast = 0.796, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.797, Connect. = 0.816 for dens.mod. cycle 9 = 0.300, Contrast = 0.796, Connect. = 0.816 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2159 peaks > 0.5 sigma used to seed fragment search Space for about 599 unique residues taking solvent into account 516 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 31.199 2.256 0.746 0.915 1.000 1.000 CB 1.616 B: 14 27.930 2.150 0.561 0.892 1.000 0.769 CB 1.658 14 residues pruned to eliminate duplicates C: 17 32.150 2.261 0.625 0.856 0.875 0.625 CA 1.844 D: 11 31.066 2.551 0.320 0.916 1.000 0.800 CA 2.060 11 residues pruned to eliminate duplicates E: 16 31.023 2.350 0.582 0.848 0.867 0.667 CA 1.845 17 residues pruned to eliminate duplicates F: 20 24.076 2.107 0.438 0.845 0.895 0.526 CB 1.515 17 residues pruned to eliminate duplicates G: 85 73.766 2.454 0.940 0.517 0.940 0.655 CB 1.768 19 residues pruned to eliminate duplicates H: 16 27.264 2.261 0.675 0.827 0.867 0.733 CB 1.616 16 residues pruned to eliminate duplicates I: 17 37.740 2.328 0.653 0.833 0.938 0.688 CA 1.961 17 residues pruned to eliminate duplicates J: 13 34.694 2.310 0.731 0.936 1.000 1.000 CB 1.744 13 residues pruned to eliminate duplicates K: 12 27.722 2.346 0.492 0.913 1.000 0.909 CA 1.689 12 residues pruned to eliminate duplicates L: 13 36.204 2.474 0.910 0.889 0.833 0.750 CB 1.909 M: 27 54.236 2.504 1.227 0.679 0.962 0.654 CB 1.682 N: 15 31.822 2.234 0.911 0.801 0.857 0.500 CA 1.786 13 residues pruned to eliminate duplicates O: 26 36.602 2.397 0.886 0.609 0.880 0.720 CB 1.660 13 residues pruned to eliminate duplicates P: 15 31.802 2.185 0.984 0.845 0.857 0.643 CB 1.701 15 residues pruned to eliminate duplicates Q: 15 27.748 2.240 0.565 0.761 0.929 0.714 CA 1.806 15 residues pruned to eliminate duplicates R: 13 27.826 2.285 0.617 0.872 1.000 0.917 CA 1.584 13 residues pruned to eliminate duplicates S: 12 23.964 2.273 0.437 0.821 0.909 0.727 CA 1.843 T: 15 28.617 2.359 0.599 0.816 0.786 0.643 CB 1.962 12 residues pruned to eliminate duplicates U: 13 44.120 2.477 0.925 0.893 1.000 1.000 CB 1.917 15 residues pruned to eliminate duplicates V: 13 45.974 2.495 1.004 0.873 1.000 0.833 CA 1.933 13 residues pruned to eliminate duplicates W: 11 31.832 2.428 0.721 0.926 0.900 0.700 CA 1.877 11 residues pruned to eliminate duplicates X: 15 25.891 2.185 0.481 0.789 1.000 0.786 CB 1.659 15 residues pruned to eliminate duplicates Y: 59 42.167 2.273 0.877 0.485 0.879 0.534 CB 1.499 59 residues pruned to eliminate duplicates Z: 33 37.018 2.311 0.849 0.615 0.875 0.656 CB 1.570 33 residues pruned to eliminate duplicates Z: 16 31.646 2.183 0.974 0.922 1.000 0.667 CB 1.334 15 residues pruned to eliminate duplicates Z: 15 30.704 2.452 0.670 0.745 1.000 0.714 CB 1.610 15 residues pruned to eliminate duplicates Z: 52 31.275 2.129 0.593 0.568 0.922 0.667 CB 1.311 19 residues pruned to eliminate duplicates Z: 13 44.930 2.515 0.907 0.863 1.000 0.833 CA 1.984 13 residues pruned to eliminate duplicates Z: 15 36.025 2.181 1.036 0.911 1.000 0.929 CB 1.536 15 residues pruned to eliminate duplicates Z: 16 20.518 2.128 0.468 0.844 0.867 0.600 CB 1.456 Z: 16 21.212 2.124 0.719 0.912 0.933 0.800 CB 1.139 16 residues pruned to eliminate duplicates Z: 8 18.446 2.047 0.752 0.776 1.000 0.571 N 1.523 8 residues pruned to eliminate duplicates Z: 7 12.994 2.040 0.762 0.462 1.000 0.667 CB 1.535 7 residues pruned to eliminate duplicates Z: 15 24.196 2.217 0.816 0.865 0.857 0.571 CB 1.374 15 residues pruned to eliminate duplicates Z: 6 4.424 1.992 0.280 0.679 0.600 0.600 CA 1.097 6 residues pruned to eliminate duplicates Z: 15 29.779 2.386 0.935 0.808 0.857 0.429 CB 1.538 15 residues pruned to eliminate duplicates Z: 14 18.162 2.099 0.307 0.829 0.923 0.692 CB 1.497 14 residues pruned to eliminate duplicates Z: 12 29.083 2.470 0.602 0.848 0.909 0.818 CA 1.808 12 residues pruned to eliminate duplicates Z: 113 81.573 2.462 0.898 0.507 0.920 0.643 CB 1.782 111 residues pruned to eliminate duplicates Z: 13 20.033 2.173 0.319 0.839 0.917 0.750 CA 1.643 13 residues pruned to eliminate duplicates Z: 15 29.918 2.184 0.707 0.885 1.000 0.714 CB 1.548 Z: 15 32.108 2.092 1.014 0.877 0.857 0.857 CB 1.726 15 residues pruned to eliminate duplicates Z: 26 45.320 2.469 1.031 0.659 0.920 0.600 CB 1.696 26 residues pruned to eliminate duplicates Z: 69 72.351 2.561 0.925 0.503 0.926 0.618 CB 1.914 69 residues pruned to eliminate duplicates Z: 15 24.342 2.040 0.628 0.873 0.929 0.714 CB 1.536 15 residues pruned to eliminate duplicates Z: 73 65.469 2.504 0.870 0.507 0.931 0.625 CB 1.758 73 residues pruned to eliminate duplicates Z: 24 33.376 2.359 0.887 0.548 0.913 0.478 CB 1.633 16 residues pruned to eliminate duplicates Z: 114 72.703 2.444 0.884 0.492 0.885 0.566 CB 1.693 114 residues pruned to eliminate duplicates Z: 16 27.649 2.144 0.834 0.922 1.000 0.667 CB 1.277 16 residues pruned to eliminate duplicates Z: 29 33.983 2.219 0.623 0.845 0.857 0.750 CB 1.547 29 residues pruned to eliminate duplicates Z: 13 30.940 2.171 0.879 0.911 1.000 0.750 CA 1.551 13 residues pruned to eliminate duplicates Z: 38 33.571 2.198 0.840 0.582 0.946 0.649 CB 1.332 38 residues pruned to eliminate duplicates Z: 15 26.168 2.121 0.698 0.844 0.929 0.714 CA 1.557 15 residues pruned to eliminate duplicates Z: 12 26.006 2.344 0.451 0.808 0.909 0.727 CB 1.939 12 residues pruned to eliminate duplicates Z: 11 31.219 2.496 0.683 0.810 0.900 0.400 CA 1.994 11 residues pruned to eliminate duplicates Z: 39 31.544 2.219 0.714 0.533 0.947 0.632 CB 1.375 39 residues pruned to eliminate duplicates Z: 6 4.921 1.870 0.203 0.565 0.800 0.400 CB 1.149 Z: 13 29.548 2.317 0.922 0.943 1.000 0.667 CB 1.328 13 residues pruned to eliminate duplicates Z: 7 5.171 1.751 -0.017 0.641 1.000 0.500 CB 1.076 Z: 15 36.778 2.139 1.041 0.898 1.000 0.929 CA 1.610 15 residues pruned to eliminate duplicates Z: 37 35.551 2.268 0.775 0.587 0.972 0.611 CB 1.393 40 residues pruned to eliminate duplicates Z: 26 35.703 2.338 1.023 0.574 0.920 0.480 CB 1.528 21 residues pruned to eliminate duplicates Z: 16 29.847 2.041 0.750 0.926 1.000 0.933 CB 1.512 16 residues pruned to eliminate duplicates Z: 25 17.304 1.989 0.728 0.335 0.875 0.583 CB 1.407 Z: 28 49.888 2.462 1.130 0.688 0.963 0.630 CB 1.600 28 residues pruned to eliminate duplicates Z: 16 31.506 2.187 0.870 0.868 0.933 0.733 CB 1.558 16 residues pruned to eliminate duplicates Z: 14 34.636 2.259 1.033 0.883 0.923 0.692 CB 1.639 14 residues pruned to eliminate duplicates Z: 18 25.113 2.166 0.524 0.797 0.882 0.706 CB 1.613 16 residues pruned to eliminate duplicates Z: 71 48.836 2.245 0.755 0.595 0.957 0.671 CB 1.414 72 residues pruned to eliminate duplicates Z: 16 29.805 2.206 0.468 0.839 1.000 0.667 CB 1.775 18 residues pruned to eliminate duplicates Z: 10 14.258 2.017 0.390 0.743 0.778 0.667 CA 1.753 Z: 12 19.051 1.933 0.614 0.834 0.909 0.545 CA 1.517 10 residues pruned to eliminate duplicates Z: 16 24.689 2.144 0.355 0.821 1.000 0.667 CB 1.661 16 residues pruned to eliminate duplicates Z: 14 28.448 2.236 0.726 0.762 1.000 0.769 CA 1.620 11 residues pruned to eliminate duplicates Z: 63 59.747 2.550 0.817 0.510 0.887 0.581 CB 1.828 63 residues pruned to eliminate duplicates Z: 12 42.817 2.348 1.139 0.909 1.000 0.636 CB 1.825 12 residues pruned to eliminate duplicates Z: 8 9.921 1.888 0.621 0.515 0.857 0.286 C 1.408 Z: 10 15.556 1.984 0.474 0.824 0.778 0.556 N 1.723 10 residues pruned to eliminate duplicates Z: 9 21.548 2.228 0.498 0.843 1.000 0.750 CB 1.700 9 residues pruned to eliminate duplicates Z: 70 61.848 2.560 0.910 0.482 0.870 0.609 CB 1.782 70 residues pruned to eliminate duplicates Z: 44 56.314 2.623 0.835 0.456 0.907 0.628 CB 2.057 44 residues pruned to eliminate duplicates Z: 51 51.696 2.433 0.912 0.476 0.880 0.680 CB 1.830 51 residues pruned to eliminate duplicates Z: 6 13.299 2.059 0.403 0.722 1.000 0.400 C 1.685 8 residues pruned to eliminate duplicates Z: 16 29.060 2.189 0.535 0.831 1.000 0.867 CB 1.678 16 residues pruned to eliminate duplicates Z: 18 28.300 2.168 0.536 0.785 1.000 0.471 CB 1.605 18 residues pruned to eliminate duplicates Z: 12 17.883 2.247 0.251 0.903 0.909 0.909 CA 1.505 12 residues pruned to eliminate duplicates Z: 15 28.829 2.307 0.508 0.796 1.000 0.857 CA 1.709 15 residues pruned to eliminate duplicates Z: 16 27.394 2.137 0.493 0.834 1.000 0.733 CB 1.662 16 residues pruned to eliminate duplicates Z: 77 46.996 2.232 0.798 0.574 0.908 0.658 CB 1.378 77 residues pruned to eliminate duplicates Z: 77 46.043 2.216 0.760 0.430 0.934 0.592 CB 1.559 55 residues pruned to eliminate duplicates Z: 14 20.195 2.061 0.513 0.849 0.846 0.769 CA 1.573 14 residues pruned to eliminate duplicates Z: 12 38.270 2.303 1.129 0.892 1.000 0.818 CA 1.691 12 residues pruned to eliminate duplicates Z: 13 27.869 2.170 0.779 0.808 0.917 0.667 N 1.739 25 residues pruned to eliminate duplicates Z: 28 24.994 2.093 0.653 0.641 0.889 0.593 CB 1.371 16 residues pruned to eliminate duplicates Z: 16 30.412 2.226 0.755 0.748 1.000 0.667 CB 1.609 18 residues pruned to eliminate duplicates Z: 12 16.331 1.898 0.281 0.813 0.909 0.818 N 1.696 12 residues pruned to eliminate duplicates Z: 19 27.773 2.399 1.226 0.505 0.833 0.667 CB 1.463 19 residues pruned to eliminate duplicates Z: 28 50.459 2.463 1.208 0.686 0.926 0.593 CB 1.626 28 residues pruned to eliminate duplicates Z: 13 30.339 2.339 0.640 0.880 0.917 0.750 CB 1.806 13 residues pruned to eliminate duplicates Z: 11 24.170 2.070 0.713 0.876 0.900 0.700 CB 1.741 12 residues pruned to eliminate duplicates Z: 110 58.539 2.266 0.785 0.469 0.908 0.596 CB 1.576 91 residues pruned to eliminate duplicates Z: 7 10.445 2.027 1.129 0.436 1.000 0.667 CB 1.056 Z: 12 13.461 1.882 0.426 0.816 0.727 0.636 CA 1.581 12 residues pruned to eliminate duplicates Z: 14 25.332 2.270 0.262 0.842 1.000 0.769 CB 1.827 14 residues pruned to eliminate duplicates Z: 16 29.952 2.117 0.707 0.855 1.000 0.667 CB 1.580 13 residues pruned to eliminate duplicates Z: 6 4.530 1.901 -0.025 0.726 1.000 0.800 CA 0.892 6 residues pruned to eliminate duplicates Z: 17 32.051 2.150 0.637 0.851 1.000 0.625 CB 1.685 18 residues pruned to eliminate duplicates Z: 26 24.856 2.201 0.757 0.424 0.920 0.800 CB 1.512 26 residues pruned to eliminate duplicates Z: 16 16.430 1.977 0.342 0.823 0.867 0.733 CB 1.394 16 residues pruned to eliminate duplicates Z: 14 31.303 2.151 0.953 0.908 1.000 0.846 CB 1.468 14 residues pruned to eliminate duplicates Z: 11 15.081 2.138 0.109 0.867 0.900 0.900 CA 1.635 11 residues pruned to eliminate duplicates Z: 18 20.666 1.985 0.677 0.806 0.941 0.588 CB 1.225 Z: 14 35.544 2.346 0.913 0.844 0.923 0.769 CB 1.770 14 residues pruned to eliminate duplicates Z: 7 8.253 1.591 0.657 0.554 0.833 0.333 CA 1.455 7 residues pruned to eliminate duplicates Z: 7 13.453 1.941 0.748 0.510 1.000 0.333 CA 1.603 7 residues pruned to eliminate duplicates Z: 164 66.490 2.240 0.703 0.497 0.926 0.613 CB 1.478 161 residues pruned to eliminate duplicates Z: 9 13.131 1.676 0.552 0.855 1.000 0.750 CB 1.316 9 residues pruned to eliminate duplicates Z: 13 11.900 2.073 0.479 0.899 0.833 0.500 CB 0.961 13 residues pruned to eliminate duplicates Z: 17 16.977 2.049 0.435 0.886 0.938 0.875 CB 1.111 17 residues pruned to eliminate duplicates Z: 15 27.033 2.124 0.805 0.864 0.786 0.571 CB 1.759 15 residues pruned to eliminate duplicates Z: 12 17.370 1.891 0.552 0.775 0.909 0.455 N 1.540 12 residues pruned to eliminate duplicates Z: 11 33.794 2.395 1.050 0.923 0.900 0.700 CB 1.700 11 residues pruned to eliminate duplicates Z: 29 48.361 2.397 1.122 0.681 0.929 0.643 CB 1.639 29 residues pruned to eliminate duplicates Z: 9 18.149 2.125 0.461 0.901 0.875 0.875 CB 1.686 9 residues pruned to eliminate duplicates Z: 52 57.965 2.516 1.062 0.502 0.922 0.627 CB 1.696 52 residues pruned to eliminate duplicates Z: 16 20.919 2.072 0.667 0.854 1.000 0.400 CB 1.155 16 residues pruned to eliminate duplicates Z: 15 25.252 2.224 0.593 0.864 0.857 0.786 CA 1.629 15 residues pruned to eliminate duplicates Z: 8 22.007 2.396 0.399 0.868 1.000 0.714 CB 1.814 8 residues pruned to eliminate duplicates Z: 18 19.599 1.968 0.582 0.843 1.000 0.706 CB 1.137 18 residues pruned to eliminate duplicates Z: 7 11.232 2.091 0.526 0.612 0.833 0.500 CA 1.551 7 residues pruned to eliminate duplicates Z: 14 17.452 2.051 0.444 0.823 0.923 0.615 CB 1.338 14 residues pruned to eliminate duplicates Z: 86 68.878 2.439 0.894 0.487 0.941 0.624 CB 1.740 85 residues pruned to eliminate duplicates Z: 35 46.391 2.551 0.878 0.465 0.882 0.500 CB 1.949 35 residues pruned to eliminate duplicates Z: 15 17.466 2.103 0.414 0.850 0.929 0.857 CB 1.251 15 residues pruned to eliminate duplicates Z: 17 17.153 2.068 0.280 0.798 0.938 0.812 CB 1.331 17 residues pruned to eliminate duplicates Z: 15 21.645 2.018 0.676 0.860 0.857 0.786 CB 1.468 15 residues pruned to eliminate duplicates Z: 13 27.080 2.300 0.552 0.882 0.917 0.750 CB 1.729 13 residues pruned to eliminate duplicates Z: 17 19.562 1.981 0.675 0.821 0.938 0.375 CB 1.190 17 residues pruned to eliminate duplicates Z: 16 26.991 2.009 0.819 0.819 0.933 0.800 CA 1.549 16 residues pruned to eliminate duplicates Z: 20 25.591 2.282 0.895 0.767 0.789 0.684 CB 1.357 20 residues pruned to eliminate duplicates Z: 26 37.829 2.468 0.747 0.608 0.920 0.680 CB 1.722 26 residues pruned to eliminate duplicates Z: 16 21.714 2.173 0.249 0.812 1.000 0.600 CB 1.575 16 residues pruned to eliminate duplicates Z: 25 45.495 2.492 1.074 0.616 0.917 0.750 CB 1.756 25 residues pruned to eliminate duplicates Z: 28 55.249 2.468 1.249 0.708 0.926 0.593 CB 1.714 28 residues pruned to eliminate duplicates Z: 31 25.682 2.185 0.765 0.448 0.867 0.667 CB 1.480 31 residues pruned to eliminate duplicates Z: 8 9.511 2.105 0.470 0.565 0.857 0.571 CB 1.273 8 residues pruned to eliminate duplicates Z: 14 27.406 2.255 0.754 0.886 0.923 0.769 CB 1.502 14 residues pruned to eliminate duplicates Z: 12 34.191 2.392 0.801 0.915 1.000 0.727 CB 1.690 12 residues pruned to eliminate duplicates Z: 47 55.842 2.454 0.936 0.540 0.935 0.587 CB 1.783 47 residues pruned to eliminate duplicates Z: 32 47.661 2.526 0.986 0.511 0.935 0.613 CB 1.805 32 residues pruned to eliminate duplicates Z: 47 42.829 2.274 0.792 0.462 0.978 0.630 CB 1.646 47 residues pruned to eliminate duplicates Z: 26 42.821 2.551 0.964 0.583 0.880 0.560 CB 1.794 26 residues pruned to eliminate duplicates Z: 13 26.005 2.353 0.901 0.752 0.833 0.667 CB 1.608 13 residues pruned to eliminate duplicates Z: 15 29.444 2.102 1.039 0.772 0.929 0.571 CA 1.555 15 residues pruned to eliminate duplicates Z: 7 5.291 1.634 0.698 0.594 0.833 0.500 CA 0.853 7 residues pruned to eliminate duplicates Z: 7 9.528 1.962 0.131 0.877 1.000 0.667 CB 1.273 7 residues pruned to eliminate duplicates Z: 6 7.586 1.876 0.318 0.752 0.800 0.600 CB 1.370 6 residues pruned to eliminate duplicates Z: 16 28.537 2.102 0.713 0.812 0.933 0.533 CB 1.670 16 residues pruned to eliminate duplicates Z: 15 24.524 2.011 0.649 0.862 1.000 0.786 CB 1.451 15 residues pruned to eliminate duplicates Z: 94 58.302 2.333 0.739 0.512 0.903 0.538 CB 1.630 94 residues pruned to eliminate duplicates Z: 44 26.783 1.992 0.731 0.571 0.837 0.674 CB 1.321 27 residues pruned to eliminate duplicates Z: 16 22.975 2.183 0.351 0.829 0.933 0.733 CB 1.621 16 residues pruned to eliminate duplicates Z: 17 23.314 2.010 0.454 0.831 0.938 0.625 CA 1.599 17 residues pruned to eliminate duplicates Z: 14 26.137 2.242 0.858 0.918 1.000 0.615 CB 1.227 14 residues pruned to eliminate duplicates Z: 8 12.470 1.879 0.326 0.849 1.000 0.857 CB 1.402 8 residues pruned to eliminate duplicates Z: 12 39.303 2.514 0.809 0.911 1.000 0.818 CB 1.846 12 residues pruned to eliminate duplicates Z: 17 20.443 2.260 0.576 0.823 0.875 0.500 CB 1.240 17 residues pruned to eliminate duplicates Z: 12 38.007 2.357 0.909 0.928 1.000 0.727 CB 1.784 12 residues pruned to eliminate duplicates Z: 11 19.485 2.247 0.934 0.467 1.000 0.400 CA 1.466 11 residues pruned to eliminate duplicates Z: 23 31.218 2.335 0.783 0.558 0.909 0.455 CB 1.663 23 residues pruned to eliminate duplicates Z: 61 51.992 2.350 0.895 0.510 0.883 0.617 CB 1.689 61 residues pruned to eliminate duplicates Z: 8 15.163 2.226 1.014 0.585 0.857 0.714 CA 1.375 8 residues pruned to eliminate duplicates Z: 46 34.025 2.254 0.954 0.397 0.844 0.556 CB 1.520 46 residues pruned to eliminate duplicates Z: 15 18.270 2.166 0.644 0.911 0.929 0.714 CB 1.047 15 residues pruned to eliminate duplicates Z: 47 39.388 2.272 0.725 0.475 0.957 0.652 CB 1.589 47 residues pruned to eliminate duplicates Z: 43 58.443 2.576 0.924 0.521 0.952 0.643 CB 1.870 43 residues pruned to eliminate duplicates Z: 8 17.508 2.271 0.335 0.888 0.857 0.714 CA 1.834 8 residues pruned to eliminate duplicates Z: 18 9.503 1.787 0.374 0.374 0.824 0.647 CB 1.304 18 residues pruned to eliminate duplicates Z: 45 48.418 2.470 0.854 0.460 0.909 0.614 CB 1.826 45 residues pruned to eliminate duplicates Z: 10 21.805 1.906 0.806 0.861 1.000 0.778 CA 1.551 10 residues pruned to eliminate duplicates Z: 49 18.679 1.959 0.356 0.473 0.812 0.500 CB 1.285 35 residues pruned to eliminate duplicates Z: 14 19.171 2.198 0.492 0.923 1.000 0.692 CB 1.139 14 residues pruned to eliminate duplicates Z: 8 12.192 1.743 0.401 0.869 1.000 0.714 CB 1.379 8 residues pruned to eliminate duplicates Z: 31 26.960 2.199 0.864 0.432 0.867 0.733 CB 1.486 32 residues pruned to eliminate duplicates Z: 72 50.028 2.347 0.785 0.487 0.901 0.592 CB 1.593 72 residues pruned to eliminate duplicates Z: 16 18.705 2.073 0.488 0.791 0.933 0.800 CB 1.299 18 residues pruned to eliminate duplicates Z: 14 27.589 2.161 0.908 0.839 0.923 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 31 22.552 2.113 0.603 0.456 0.800 0.567 CB 1.590 31 residues pruned to eliminate duplicates Z: 18 20.813 2.067 0.525 0.725 1.000 0.529 CB 1.308 18 residues pruned to eliminate duplicates Z: 100 70.257 2.412 0.903 0.509 0.909 0.657 CB 1.676 100 residues pruned to eliminate duplicates Z: 10 9.555 1.808 -0.100 0.919 1.000 1.000 CB 1.379 10 residues pruned to eliminate duplicates Z: 10 8.931 1.501 0.312 0.899 1.000 0.889 CB 1.081 Z: 10 3.826 1.565 1.023 0.112 0.556 0.444 CA 1.185 Z: 20 26.239 2.112 0.503 0.742 0.947 0.842 CB 1.612 20 residues pruned to eliminate duplicates Z: 6 11.823 1.905 0.533 0.776 1.000 1.000 CB 1.419 15 residues pruned to eliminate duplicates Z: 114 53.549 2.255 0.712 0.469 0.876 0.558 CB 1.537 114 residues pruned to eliminate duplicates Z: 29 33.646 2.363 0.679 0.575 0.893 0.571 CB 1.670 29 residues pruned to eliminate duplicates Z: 14 20.951 2.117 0.399 0.838 1.000 0.769 CB 1.467 14 residues pruned to eliminate duplicates Z: 14 7.662 1.683 0.459 0.444 0.923 0.385 CB 0.994 Z: 9 10.653 1.531 0.544 0.917 1.000 0.875 CB 1.124 9 residues pruned to eliminate duplicates Z: 82 54.642 2.233 0.791 0.520 0.926 0.679 CB 1.607 82 residues pruned to eliminate duplicates Z: 15 17.592 2.075 0.331 0.875 1.000 0.929 CB 1.238 15 residues pruned to eliminate duplicates Z: 7 4.336 1.785 -0.107 0.371 1.000 0.333 CB 1.274 Z: 18 6.740 1.592 0.372 0.333 0.824 0.294 CB 1.091 17 residues pruned to eliminate duplicates Z: 9 8.945 1.712 0.301 0.872 0.750 0.500 CB 1.380 9 residues pruned to eliminate duplicates Z: 14 21.515 2.101 0.644 0.799 0.846 0.692 CA 1.571 14 residues pruned to eliminate duplicates Z: 80 63.988 2.364 0.939 0.499 0.937 0.646 CB 1.678 80 residues pruned to eliminate duplicates Z: 15 16.425 2.050 0.357 0.839 0.929 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 66 53.328 2.393 0.815 0.501 0.892 0.631 CB 1.706 66 residues pruned to eliminate duplicates Z: 33 37.346 2.210 0.940 0.491 0.938 0.594 CB 1.658 33 residues pruned to eliminate duplicates Z: 18 19.055 1.915 0.695 0.857 1.000 0.824 CB 1.049 18 residues pruned to eliminate duplicates Z: 11 14.552 1.789 0.249 0.877 1.000 0.700 CA 1.496 11 residues pruned to eliminate duplicates Z: 7 7.502 1.891 0.330 0.857 1.000 0.833 CB 0.898 7 residues pruned to eliminate duplicates Z: 15 12.867 1.970 0.463 0.510 0.857 0.786 CB 1.378 15 residues pruned to eliminate duplicates Z: 6 8.706 1.852 0.366 0.732 1.000 0.400 CA 1.249 6 residues pruned to eliminate duplicates Z: 16 22.098 2.167 0.262 0.824 0.933 0.533 CB 1.688 16 residues pruned to eliminate duplicates Z: 16 17.960 2.119 0.399 0.790 1.000 0.867 CB 1.212 16 residues pruned to eliminate duplicates Z: 27 23.319 2.130 0.483 0.614 0.885 0.615 CB 1.468 27 residues pruned to eliminate duplicates Z: 11 13.475 1.760 0.315 0.889 1.000 0.900 CB 1.326 11 residues pruned to eliminate duplicates Z: 7 9.982 1.973 0.197 0.784 0.833 0.333 CA 1.613 7 residues pruned to eliminate duplicates Z: 45 36.032 2.223 0.862 0.462 0.864 0.659 CB 1.579 45 residues pruned to eliminate duplicates Z: 105 69.446 2.435 0.814 0.501 0.885 0.577 CB 1.741 133 residues pruned to eliminate duplicates Z: 18 21.199 1.962 0.730 0.642 0.941 0.588 CB 1.409 18 residues pruned to eliminate duplicates Z: 32 39.084 2.334 0.922 0.567 0.968 0.613 CB 1.515 32 residues pruned to eliminate duplicates Z: 13 7.938 1.576 0.174 0.799 0.917 0.500 CB 1.040 13 residues pruned to eliminate duplicates Z: 9 8.320 1.489 0.444 0.839 1.000 0.750 CB 1.022 9 residues pruned to eliminate duplicates Z: 9 12.236 2.089 1.153 0.750 1.000 0.875 CB 0.769 Z: 8 7.820 1.865 0.556 0.457 1.000 0.857 CB 1.064 8 residues pruned to eliminate duplicates Z: 11 6.348 1.841 0.128 0.302 0.800 0.400 CB 1.507 6 residues pruned to eliminate duplicates Z: 38 23.206 2.052 0.378 0.597 0.919 0.676 CB 1.339 38 residues pruned to eliminate duplicates Z: 16 18.319 2.057 0.340 0.918 1.000 0.933 CB 1.211 16 residues pruned to eliminate duplicates Z: 31 21.157 2.049 0.696 0.490 0.800 0.567 CB 1.403 31 residues pruned to eliminate duplicates Z: 12 36.311 2.273 1.377 0.856 0.909 0.909 CA 1.643 12 residues pruned to eliminate duplicates Z: 31 13.576 1.765 0.715 0.344 0.833 0.433 CB 1.164 32 residues pruned to eliminate duplicates Z: 17 19.338 1.953 0.798 0.831 0.938 0.688 CB 1.103 17 residues pruned to eliminate duplicates Z: 12 11.441 1.811 1.252 0.598 0.818 0.636 N 0.942 Z: 7 14.311 2.069 0.569 0.706 1.000 0.500 CA 1.492 7 residues pruned to eliminate duplicates Z: 22 16.208 2.132 0.555 0.362 0.905 0.667 CB 1.368 22 residues pruned to eliminate duplicates Z: 14 28.178 2.305 0.936 0.941 0.923 0.462 CB 1.316 Z: 17 16.019 2.013 0.342 0.905 0.938 0.812 CB 1.126 17 residues pruned to eliminate duplicates Z: 9 9.513 1.506 0.436 0.885 1.000 0.750 CB 1.123 9 residues pruned to eliminate duplicates Z: 16 18.594 2.102 0.395 0.922 1.000 0.800 CB 1.152 16 residues pruned to eliminate duplicates Z: 16 20.411 2.051 0.696 0.898 0.867 0.667 CB 1.250 16 residues pruned to eliminate duplicates Z: 82 45.725 2.111 0.899 0.432 0.926 0.543 CB 1.469 82 residues pruned to eliminate duplicates Z: 59 42.593 2.224 0.922 0.536 0.879 0.534 CB 1.436 59 residues pruned to eliminate duplicates Z: 15 31.042 2.201 0.807 0.914 1.000 0.857 CB 1.475 14 residues pruned to eliminate duplicates Z: 32 24.694 2.130 0.854 0.430 0.806 0.645 CB 1.498 32 residues pruned to eliminate duplicates Z: 20 32.768 2.425 1.078 0.418 0.947 0.632 CB 1.716 20 residues pruned to eliminate duplicates Z: 7 6.283 1.606 0.565 0.524 1.000 0.833 CB 0.997 Z: 28 47.245 2.418 1.072 0.677 0.963 0.704 CB 1.601 34 residues pruned to eliminate duplicates Z: 19 27.611 2.148 0.619 0.729 0.944 0.722 CB 1.611 19 residues pruned to eliminate duplicates Z: 27 25.788 2.169 0.794 0.452 0.923 0.654 CB 1.478 27 residues pruned to eliminate duplicates Z: 19 5.289 1.577 0.277 0.303 0.833 0.444 CB 0.925 19 residues pruned to eliminate duplicates Z: 22 42.393 2.518 0.994 0.465 1.000 0.571 CA 1.911 22 residues pruned to eliminate duplicates Z: 12 40.481 2.378 0.850 0.886 1.000 1.000 CA 2.002 12 residues pruned to eliminate duplicates Z: 110 49.612 2.220 0.773 0.437 0.853 0.615 CB 1.511 110 residues pruned to eliminate duplicates Z: 15 27.876 2.280 0.728 0.871 0.929 0.500 CB 1.485 15 residues pruned to eliminate duplicates Z: 56 32.127 2.055 0.808 0.434 0.873 0.418 CB 1.430 56 residues pruned to eliminate duplicates Z: 21 29.254 2.130 0.659 0.744 0.950 0.750 CB 1.566 21 residues pruned to eliminate duplicates Z: 7 9.439 2.197 0.642 0.312 0.833 0.500 CA 1.578 7 residues pruned to eliminate duplicates Z: 11 40.594 2.436 1.092 0.872 1.000 0.900 CB 1.836 11 residues pruned to eliminate duplicates Z: 15 21.749 2.096 0.394 0.853 0.929 0.714 CB 1.584 15 residues pruned to eliminate duplicates Z: 11 21.395 2.056 0.484 0.818 1.000 0.600 CB 1.682 11 residues pruned to eliminate duplicates Z: 14 16.519 2.173 0.782 0.401 0.846 0.615 CB 1.552 14 residues pruned to eliminate duplicates Z: 13 21.047 2.015 0.707 0.734 0.833 0.500 CA 1.719 13 residues pruned to eliminate duplicates Z: 9 9.606 1.530 0.519 0.883 1.000 0.750 CB 1.057 9 residues pruned to eliminate duplicates Z: 17 24.863 2.055 0.873 0.869 1.000 0.688 CB 1.180 17 residues pruned to eliminate duplicates Z: 29 33.831 2.296 0.594 0.615 0.893 0.571 CB 1.755 29 residues pruned to eliminate duplicates Z: 39 26.038 2.168 0.612 0.555 0.921 0.763 CB 1.244 39 residues pruned to eliminate duplicates Z: 14 16.735 1.888 0.784 0.837 0.769 0.308 CB 1.340 14 residues pruned to eliminate duplicates Z: 36 18.211 2.186 0.699 0.329 0.743 0.429 CB 1.346 36 residues pruned to eliminate duplicates Z: 101 58.742 2.331 0.789 0.483 0.890 0.580 CB 1.611 101 residues pruned to eliminate duplicates Z: 13 32.569 2.228 0.711 0.927 1.000 1.000 CA 1.729 13 residues pruned to eliminate duplicates Z: 6 3.649 1.868 0.085 0.448 0.800 0.800 CB 1.061 6 residues pruned to eliminate duplicates Z: 38 20.012 1.965 0.471 0.461 0.865 0.595 CB 1.369 39 residues pruned to eliminate duplicates Z: 13 33.654 2.280 1.111 0.806 0.917 0.667 CB 1.687 13 residues pruned to eliminate duplicates Z: 13 5.239 1.720 0.312 0.256 0.833 0.417 CB 1.063 13 residues pruned to eliminate duplicates Z: 29 14.210 2.050 0.375 0.371 0.821 0.607 CB 1.332 29 residues pruned to eliminate duplicates Z: 25 24.494 2.165 0.435 0.627 0.875 0.583 CB 1.633 25 residues pruned to eliminate duplicates Z: 45 42.579 2.331 0.733 0.507 0.932 0.659 CB 1.694 45 residues pruned to eliminate duplicates Z: 19 26.627 2.186 0.922 0.511 0.889 0.444 CB 1.663 19 residues pruned to eliminate duplicates Z: 111 58.038 2.267 0.766 0.463 0.918 0.618 CB 1.563 111 residues pruned to eliminate duplicates Z: 39 22.010 2.059 0.609 0.457 0.816 0.553 CB 1.381 55 residues pruned to eliminate duplicates Z: 9 2.977 1.573 0.795 0.178 0.500 0.250 N 1.100 9 residues pruned to eliminate duplicates Z: 8 16.026 2.363 0.617 0.483 1.000 0.714 CB 1.612 8 residues pruned to eliminate duplicates Z: 8 4.474 1.593 0.142 0.559 0.714 0.429 CB 1.229 Z: 21 20.695 1.945 1.060 0.592 0.750 0.550 CB 1.410 21 residues pruned to eliminate duplicates Z: 13 26.124 2.187 0.539 0.869 1.000 0.833 CA 1.637 13 residues pruned to eliminate duplicates Z: 27 20.286 2.161 0.460 0.373 0.962 0.577 CB 1.503 27 residues pruned to eliminate duplicates Z: 7 3.998 1.652 0.447 0.515 0.833 0.667 CB 0.806 Z: 18 13.552 1.933 0.254 0.847 0.941 0.706 CB 1.070 18 residues pruned to eliminate duplicates Z: 9 15.870 2.113 0.562 0.822 0.875 0.750 CB 1.469 9 residues pruned to eliminate duplicates Z: 19 11.602 1.660 0.563 0.590 0.889 0.611 CB 1.088 Z: 15 20.240 2.106 0.510 0.884 0.929 0.714 CB 1.324 15 residues pruned to eliminate duplicates Z: 13 27.523 2.254 0.871 0.722 0.917 0.583 CB 1.681 13 residues pruned to eliminate duplicates Z: 29 38.920 2.393 0.684 0.648 1.000 0.714 CB 1.591 36 residues pruned to eliminate duplicates Z: 32 35.773 2.309 0.833 0.524 0.935 0.548 CB 1.585 32 residues pruned to eliminate duplicates Z: 7 5.927 1.461 0.624 0.485 0.833 0.500 N 1.242 Z: 8 11.339 1.742 0.612 0.845 0.857 0.571 CB 1.323 8 residues pruned to eliminate duplicates Z: 6 7.459 1.791 0.317 0.757 1.000 1.000 CA 1.125 6 residues pruned to eliminate duplicates Z: 34 34.616 2.279 0.763 0.493 0.909 0.545 CB 1.661 34 residues pruned to eliminate duplicates Z: 9 8.490 1.490 0.404 0.832 1.000 0.875 CB 1.077 9 residues pruned to eliminate duplicates Z: 16 20.207 2.028 0.919 0.520 0.933 0.733 CB 1.408 10 residues pruned to eliminate duplicates Z: 7 9.818 2.079 0.293 0.580 1.000 0.500 C 1.381 7 residues pruned to eliminate duplicates Z: 7 5.666 1.671 0.325 0.487 0.833 0.500 CA 1.271 5 residues pruned to eliminate duplicates Z: 15 15.514 2.016 0.335 0.825 1.000 0.857 CB 1.163 15 residues pruned to eliminate duplicates Z: 57 54.251 2.538 0.781 0.496 0.857 0.589 CB 1.879 57 residues pruned to eliminate duplicates Z: 8 7.834 1.679 0.669 0.479 0.857 0.857 CA 1.259 8 residues pruned to eliminate duplicates Z: 14 18.797 1.987 0.561 0.831 1.000 0.769 CB 1.263 14 residues pruned to eliminate duplicates Z: 26 35.040 2.372 0.783 0.575 0.920 0.640 CB 1.676 26 residues pruned to eliminate duplicates Z: 9 12.309 1.956 1.116 0.481 0.875 0.500 CB 1.224 Z: 19 13.190 2.131 0.416 0.362 0.889 0.500 CB 1.344 19 residues pruned to eliminate duplicates Z: 30 41.966 2.307 1.253 0.564 0.897 0.517 CB 1.572 30 residues pruned to eliminate duplicates Z: 17 31.664 2.331 0.707 0.763 0.875 0.688 CB 1.800 17 residues pruned to eliminate duplicates Z: 9 8.811 1.578 0.301 0.872 1.000 1.000 CB 1.106 9 residues pruned to eliminate duplicates Z: 91 45.122 2.227 0.671 0.441 0.878 0.544 CB 1.548 91 residues pruned to eliminate duplicates Z: 9 11.305 1.525 0.551 0.929 1.000 0.875 CA 1.183 8 residues pruned to eliminate duplicates Z: 33 18.246 1.968 0.357 0.635 0.875 0.656 CB 1.216 33 residues pruned to eliminate duplicates Z: 10 12.891 1.814 0.231 0.871 1.000 0.889 CB 1.404 10 residues pruned to eliminate duplicates Z: 9 2.230 1.609 -0.094 0.320 0.750 0.625 CB 0.880 Z: 16 33.669 2.305 0.827 0.714 0.933 0.667 CB 1.822 16 residues pruned to eliminate duplicates Z: 69 39.706 2.250 0.600 0.474 0.882 0.603 CB 1.556 69 residues pruned to eliminate duplicates Z: 11 12.628 1.964 0.536 0.472 0.900 0.600 CA 1.513 11 residues pruned to eliminate duplicates Z: 36 36.651 2.260 0.754 0.594 0.971 0.686 CB 1.471 36 residues pruned to eliminate duplicates Z: 6 6.448 1.626 0.212 0.654 1.000 0.600 CB 1.268 6 residues pruned to eliminate duplicates Z: 15 16.589 2.038 0.448 0.706 0.714 0.500 CB 1.743 15 residues pruned to eliminate duplicates Z: 19 12.736 1.995 0.495 0.452 0.944 0.722 CB 1.120 19 residues pruned to eliminate duplicates Z: 12 11.005 1.683 0.246 0.857 0.909 0.818 CB 1.284 12 residues pruned to eliminate duplicates Z: 15 8.705 1.418 0.316 0.719 1.000 0.714 CB 1.022 15 residues pruned to eliminate duplicates Z: 14 37.158 2.312 0.895 0.900 1.000 0.769 CB 1.680 14 residues pruned to eliminate duplicates Z: 7 12.019 1.981 0.380 0.870 1.000 1.000 CB 1.310 7 residues pruned to eliminate duplicates Z: 9 10.348 1.777 0.355 0.843 0.875 0.750 CB 1.293 9 residues pruned to eliminate duplicates Z: 6 3.897 1.759 0.017 0.299 1.000 0.600 CB 1.219 Z: 20 26.362 2.066 0.541 0.767 0.947 0.789 CB 1.583 20 residues pruned to eliminate duplicates Z: 90 45.109 2.132 0.621 0.510 0.933 0.596 CB 1.469 107 residues pruned to eliminate duplicates Z: 14 23.487 2.209 0.319 0.842 1.000 0.923 CB 1.666 14 residues pruned to eliminate duplicates Z: 23 35.864 2.383 0.998 0.533 0.909 0.500 CB 1.711 23 residues pruned to eliminate duplicates Z: 19 16.374 1.993 0.588 0.469 1.000 0.722 CB 1.259 19 residues pruned to eliminate duplicates 6 1.961 1.322 0.521 0.439 0.600 0.600 N 0.774 ? Z: 40 40.030 2.263 0.911 0.451 0.949 0.641 CB 1.642 40 residues pruned to eliminate duplicates Z: 21 14.926 2.016 0.551 0.393 0.850 0.500 CB 1.407 21 residues pruned to eliminate duplicates Z: 6 3.839 1.452 0.136 0.701 0.800 0.400 N 1.084 6 residues pruned to eliminate duplicates Z: 11 14.968 2.250 0.606 0.437 0.800 0.500 CB 1.747 11 residues pruned to eliminate duplicates Z: 25 22.548 2.116 0.833 0.444 0.917 0.625 CB 1.372 25 residues pruned to eliminate duplicates Z: 6 2.845 1.803 -0.150 0.429 0.800 0.600 CA 1.118 6 residues pruned to eliminate duplicates Z: 7 13.214 1.949 0.676 0.594 1.000 0.667 C 1.510 7 residues pruned to eliminate duplicates Z: 93 61.014 2.295 0.944 0.489 0.913 0.598 CB 1.579 93 residues pruned to eliminate duplicates Z: 30 32.234 2.353 0.840 0.531 0.862 0.621 CB 1.556 30 residues pruned to eliminate duplicates Z: 11 18.930 1.970 0.512 0.810 0.900 0.700 CB 1.704 11 residues pruned to eliminate duplicates Z: 48 37.288 2.286 0.792 0.482 0.872 0.553 CB 1.550 48 residues pruned to eliminate duplicates Z: 94 44.816 2.192 0.650 0.455 0.882 0.548 CB 1.526 94 residues pruned to eliminate duplicates Z: 14 25.649 2.243 1.054 0.844 0.846 0.385 CB 1.358 Z: 24 25.283 2.176 0.694 0.383 0.957 0.522 CB 1.693 24 residues pruned to eliminate duplicates Z: 20 12.977 1.799 0.486 0.479 0.842 0.632 CB 1.350 20 residues pruned to eliminate duplicates Z: 8 7.293 1.821 0.142 0.502 0.857 0.571 C 1.544 8 residues pruned to eliminate duplicates Z: 6 3.690 1.539 0.168 0.521 0.800 0.600 CB 1.125 Z: 15 18.247 2.029 0.793 0.756 0.857 0.643 CB 1.245 15 residues pruned to eliminate duplicates Z: 12 12.727 1.627 0.854 0.552 1.000 0.727 CB 1.209 19 residues pruned to eliminate duplicates Z: 13 10.418 1.588 0.270 0.789 1.000 0.667 CB 1.158 13 residues pruned to eliminate duplicates Z: 15 10.048 1.603 0.565 0.502 0.929 0.357 CB 1.151 15 residues pruned to eliminate duplicates Z: 61 48.568 2.449 0.794 0.456 0.850 0.533 CB 1.756 61 residues pruned to eliminate duplicates Z: 8 10.638 1.805 0.233 0.899 1.000 1.000 CB 1.291 8 residues pruned to eliminate duplicates Z: 10 6.001 1.842 0.381 0.442 0.667 0.556 CB 1.251 10 residues pruned to eliminate duplicates Z: 16 13.591 2.052 0.746 0.271 0.867 0.733 CB 1.467 16 residues pruned to eliminate duplicates Z: 36 22.697 1.872 0.662 0.559 0.914 0.657 CB 1.273 56 residues pruned to eliminate duplicates Z: 13 9.174 1.546 0.158 0.854 0.917 0.833 CB 1.192 13 residues pruned to eliminate duplicates Z: 12 6.298 1.778 0.404 0.536 0.909 0.455 CB 0.808 12 residues pruned to eliminate duplicates Z: 9 4.847 1.652 0.273 0.554 0.750 0.500 CB 1.031 9 residues pruned to eliminate duplicates Z: 13 42.998 2.446 1.016 0.930 0.917 0.833 CB 1.921 13 residues pruned to eliminate duplicates Z: 23 32.125 2.412 0.709 0.570 0.955 0.727 CB 1.627 23 residues pruned to eliminate duplicates Z: 9 6.683 1.855 0.180 0.489 0.875 0.375 CB 1.246 9 residues pruned to eliminate duplicates Z: 18 23.324 2.318 0.965 0.334 0.824 0.588 CB 1.808 18 residues pruned to eliminate duplicates Z: 81 49.551 2.227 0.757 0.582 0.963 0.663 CB 1.359 81 residues pruned to eliminate duplicates Z: 8 5.866 1.703 0.344 0.541 0.857 0.714 CB 1.086 8 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 21 23.350 2.080 0.421 0.717 0.900 0.450 CB 1.613 21 residues pruned to eliminate duplicates Z: 20 23.667 2.142 0.453 0.668 0.895 0.526 CB 1.669 20 residues pruned to eliminate duplicates Z: 10 21.324 2.179 0.399 0.838 1.000 0.778 CB 1.743 10 residues pruned to eliminate duplicates Z: 19 23.500 2.233 0.342 0.688 0.889 0.611 CB 1.751 19 residues pruned to eliminate duplicates Z: 11 13.478 2.106 0.372 0.654 0.800 0.500 CB 1.599 11 residues pruned to eliminate duplicates Z: 22 25.945 2.105 0.558 0.669 0.952 0.619 CB 1.551 22 residues pruned to eliminate duplicates Z: 28 27.723 2.200 0.477 0.656 0.926 0.593 CB 1.534 28 residues pruned to eliminate duplicates Z: 22 26.939 2.111 0.622 0.662 0.952 0.619 CB 1.551 22 residues pruned to eliminate duplicates Z: 46 24.767 2.003 0.473 0.567 0.889 0.489 CB 1.319 46 residues pruned to eliminate duplicates Z: 90 55.817 2.262 0.734 0.533 0.910 0.607 CB 1.604 90 residues pruned to eliminate duplicates Z: 21 20.834 2.093 0.285 0.684 0.950 0.700 CB 1.540 21 residues pruned to eliminate duplicates Z: 18 30.842 2.253 0.552 0.760 1.000 0.824 CB 1.698 18 residues pruned to eliminate duplicates Z: 20 28.916 2.146 0.660 0.702 0.947 0.684 CB 1.636 20 residues pruned to eliminate duplicates Z: 21 27.608 2.103 0.727 0.699 0.900 0.700 CB 1.575 21 residues pruned to eliminate duplicates Z: 44 27.491 2.021 0.532 0.572 0.907 0.674 CB 1.393 44 residues pruned to eliminate duplicates Z: 21 27.639 2.113 0.598 0.742 0.950 0.650 CB 1.551 21 residues pruned to eliminate duplicates Z: 27 27.880 2.212 0.542 0.664 0.885 0.615 CB 1.557 27 residues pruned to eliminate duplicates Z: 58 26.159 1.949 0.433 0.509 0.912 0.544 CB 1.348 58 residues pruned to eliminate duplicates Z: 27 13.675 1.849 0.624 0.449 0.846 0.615 CB 1.112 27 residues pruned to eliminate duplicates Z: 36 12.762 1.738 0.528 0.419 0.771 0.514 CB 1.146 36 residues pruned to eliminate duplicates Z: 45 25.959 2.013 0.550 0.560 0.864 0.659 CB 1.371 45 residues pruned to eliminate duplicates Z: 41 22.897 1.997 0.431 0.596 0.825 0.650 CB 1.401 41 residues pruned to eliminate duplicates Z: 42 25.462 2.000 0.600 0.541 0.854 0.659 CB 1.399 42 residues pruned to eliminate duplicates Z: 9 8.108 2.051 0.461 0.510 0.750 0.750 CB 1.262 9 residues pruned to eliminate duplicates Z: 36 12.927 1.672 0.410 0.525 0.857 0.600 CB 1.055 36 residues pruned to eliminate duplicates Z: 46 15.779 1.751 0.580 0.375 0.800 0.533 CB 1.214 46 residues pruned to eliminate duplicates Z: 43 26.319 2.024 0.528 0.584 0.881 0.667 CB 1.376 43 residues pruned to eliminate duplicates Z: 46 23.689 1.941 0.548 0.544 0.844 0.622 CB 1.333 46 residues pruned to eliminate duplicates Z: 15 11.524 1.697 0.412 0.565 1.000 0.786 CB 1.208 15 residues pruned to eliminate duplicates Z: 13 13.435 1.834 0.504 0.645 0.917 0.583 CB 1.340 13 residues pruned to eliminate duplicates Z: 27 13.157 1.857 0.538 0.448 0.808 0.500 CB 1.180 27 residues pruned to eliminate duplicates Z: 21 9.714 1.673 0.485 0.460 0.850 0.550 CB 1.072 21 residues pruned to eliminate duplicates Z: 23 10.571 1.670 0.506 0.434 0.864 0.545 CB 1.110 23 residues pruned to eliminate duplicates Z: 16 10.036 1.729 0.282 0.597 0.933 0.600 CB 1.143 16 residues pruned to eliminate duplicates Z: 16 12.222 1.769 0.465 0.584 1.000 0.600 CB 1.123 16 residues pruned to eliminate duplicates Z: 29 16.486 1.839 0.523 0.503 0.893 0.679 CB 1.242 29 residues pruned to eliminate duplicates Z: 30 13.106 1.789 0.563 0.441 0.793 0.552 CB 1.167 30 residues pruned to eliminate duplicates Z: 24 10.851 1.748 0.352 0.470 0.826 0.652 CB 1.195 24 residues pruned to eliminate duplicates Z: 13 6.380 1.572 0.703 0.228 0.917 0.500 CB 1.031 13 residues pruned to eliminate duplicates Z: 13 5.028 1.528 0.666 0.174 0.750 0.500 CB 1.128 13 residues pruned to eliminate duplicates Z: 8 4.620 1.613 0.618 0.200 0.857 0.571 CB 1.115 8 residues pruned to eliminate duplicates Z: 28 8.635 1.664 0.314 0.326 0.704 0.370 CB 1.307 28 residues pruned to eliminate duplicates Z: 97 46.010 2.193 0.733 0.426 0.865 0.552 CB 1.544 97 residues pruned to eliminate duplicates Z: 20 7.104 1.694 0.358 0.277 0.789 0.368 CB 1.155 20 residues pruned to eliminate duplicates Z: 14 9.461 1.734 0.325 0.423 1.000 0.538 CB 1.238 14 residues pruned to eliminate duplicates Z: 43 36.352 2.130 0.807 0.480 0.952 0.524 CB 1.562 43 residues pruned to eliminate duplicates Z: 12 4.338 1.641 0.226 0.196 0.818 0.455 CB 1.142 12 residues pruned to eliminate duplicates Z: 42 36.329 2.137 0.843 0.491 0.927 0.610 CB 1.569 42 residues pruned to eliminate duplicates Z: 16 5.399 1.689 0.341 0.255 0.800 0.667 CB 1.019 16 residues pruned to eliminate duplicates Z: 13 6.972 1.800 0.444 0.280 0.750 0.417 CB 1.323 13 residues pruned to eliminate duplicates Z: 16 8.374 1.700 0.540 0.314 0.867 0.333 CB 1.170 16 residues pruned to eliminate duplicates Z: 114 61.503 2.291 0.863 0.466 0.885 0.637 CB 1.585 114 residues pruned to eliminate duplicates Z: 113 56.300 2.260 0.792 0.473 0.857 0.554 CB 1.575 113 residues pruned to eliminate duplicates Z: 114 59.624 2.291 0.771 0.476 0.894 0.619 CB 1.585 114 residues pruned to eliminate duplicates Z: 89 50.600 2.260 0.733 0.468 0.898 0.580 CB 1.584 89 residues pruned to eliminate duplicates Z: 90 49.222 2.254 0.747 0.438 0.899 0.573 CB 1.570 90 residues pruned to eliminate duplicates Z: 114 60.974 2.297 0.764 0.473 0.912 0.593 CB 1.597 114 residues pruned to eliminate duplicates Z: 89 48.062 2.235 0.795 0.450 0.875 0.580 CB 1.536 89 residues pruned to eliminate duplicates Z: 29 16.854 1.920 0.732 0.326 0.857 0.464 CB 1.353 29 residues pruned to eliminate duplicates Z: 24 15.064 1.929 0.654 0.332 0.826 0.478 CB 1.432 24 residues pruned to eliminate duplicates Z: 41 41.594 2.172 0.954 0.493 0.975 0.575 CB 1.601 41 residues pruned to eliminate duplicates Z: 77 47.169 2.262 0.801 0.464 0.868 0.605 CB 1.586 77 residues pruned to eliminate duplicates Z: 42 32.787 2.086 0.841 0.448 0.927 0.512 CB 1.518 42 residues pruned to eliminate duplicates Z: 28 42.890 2.310 1.129 0.527 0.889 0.556 CB 1.838 28 residues pruned to eliminate duplicates Z: 151 72.169 2.304 0.764 0.501 0.927 0.613 CB 1.564 151 residues pruned to eliminate duplicates Z: 93 51.108 2.203 0.750 0.469 0.935 0.565 CB 1.525 93 residues pruned to eliminate duplicates Z: 68 43.512 2.250 0.754 0.483 0.836 0.567 CB 1.639 68 residues pruned to eliminate duplicates Z: 22 39.549 2.328 0.986 0.564 1.000 0.571 CA 1.755 22 residues pruned to eliminate duplicates Z: 42 34.216 2.127 0.771 0.481 0.878 0.610 CB 1.646 42 residues pruned to eliminate duplicates Z: 70 47.203 2.329 0.749 0.476 0.884 0.507 CB 1.617 70 residues pruned to eliminate duplicates Z: 71 43.555 2.221 0.723 0.477 0.886 0.600 CB 1.572 71 residues pruned to eliminate duplicates Z: 65 46.453 2.338 0.744 0.501 0.859 0.625 CB 1.654 65 residues pruned to eliminate duplicates Z: 82 55.236 2.315 0.852 0.477 0.914 0.630 CB 1.604 82 residues pruned to eliminate duplicates Z: 43 38.060 2.113 0.923 0.496 0.905 0.571 CB 1.603 43 residues pruned to eliminate duplicates Z: 73 43.879 2.322 0.706 0.465 0.833 0.542 CB 1.623 73 residues pruned to eliminate duplicates Z: 68 49.147 2.322 0.841 0.476 0.881 0.493 CB 1.633 68 residues pruned to eliminate duplicates Z: 31 26.858 2.150 1.028 0.373 0.800 0.533 CB 1.609 31 residues pruned to eliminate duplicates Z: 24 38.504 2.247 1.119 0.525 0.913 0.522 CA 1.801 24 residues pruned to eliminate duplicates Z: 22 32.106 2.155 1.131 0.510 0.905 0.619 CB 1.670 22 residues pruned to eliminate duplicates Z: 114 60.311 2.288 0.812 0.461 0.903 0.575 CB 1.577 114 residues pruned to eliminate duplicates Z: 91 44.682 2.213 0.727 0.428 0.867 0.522 CB 1.532 91 residues pruned to eliminate duplicates Z: 70 48.261 2.325 0.785 0.464 0.899 0.580 CB 1.617 70 residues pruned to eliminate duplicates Z: 116 61.130 2.288 0.794 0.468 0.887 0.591 CB 1.617 116 residues pruned to eliminate duplicates Z: 69 51.828 2.315 0.805 0.492 0.926 0.603 CB 1.637 69 residues pruned to eliminate duplicates Z: 90 45.100 2.197 0.713 0.446 0.865 0.573 CB 1.553 90 residues pruned to eliminate duplicates Z: 74 49.609 2.327 0.771 0.486 0.918 0.562 CB 1.557 74 residues pruned to eliminate duplicates Z: 36 30.727 2.224 0.764 0.489 0.829 0.600 CB 1.616 36 residues pruned to eliminate duplicates Z: 93 41.907 2.147 0.701 0.425 0.902 0.522 CB 1.435 93 residues pruned to eliminate duplicates Z: 109 60.820 2.291 0.790 0.460 0.917 0.583 CB 1.622 109 residues pruned to eliminate duplicates Z: 106 51.535 2.198 0.768 0.431 0.924 0.552 CB 1.505 106 residues pruned to eliminate duplicates Z: 50 34.553 2.283 0.706 0.459 0.898 0.612 CB 1.471 50 residues pruned to eliminate duplicates Z: 50 33.365 2.266 0.696 0.449 0.857 0.592 CB 1.525 50 residues pruned to eliminate duplicates Z: 85 46.461 2.217 0.745 0.490 0.857 0.619 CB 1.543 85 residues pruned to eliminate duplicates Z: 63 58.102 2.368 0.875 0.519 0.952 0.677 CB 1.715 63 residues pruned to eliminate duplicates Z: 56 35.338 2.233 0.754 0.423 0.891 0.473 CB 1.480 56 residues pruned to eliminate duplicates Z: 75 46.639 2.342 0.818 0.460 0.851 0.527 CB 1.557 75 residues pruned to eliminate duplicates Z: 52 33.780 2.230 0.736 0.443 0.902 0.529 CB 1.436 52 residues pruned to eliminate duplicates Z: 72 48.605 2.299 0.729 0.482 0.930 0.521 CB 1.589 72 residues pruned to eliminate duplicates Z: 113 61.986 2.300 0.828 0.497 0.875 0.536 CB 1.596 113 residues pruned to eliminate duplicates Z: 34 24.058 2.274 0.524 0.425 0.879 0.424 CB 1.486 34 residues pruned to eliminate duplicates Z: 35 23.330 2.160 0.623 0.436 0.882 0.471 CB 1.381 35 residues pruned to eliminate duplicates Z: 84 46.222 2.232 0.689 0.481 0.880 0.639 CB 1.559 84 residues pruned to eliminate duplicates Z: 66 45.018 2.307 0.791 0.462 0.877 0.600 CB 1.602 66 residues pruned to eliminate duplicates Z: 44 36.660 2.339 0.728 0.477 0.907 0.628 CB 1.560 44 residues pruned to eliminate duplicates Z: 69 43.185 2.278 0.745 0.420 0.897 0.515 CB 1.597 69 residues pruned to eliminate duplicates Z: 90 49.310 2.192 0.727 0.482 0.955 0.562 CB 1.472 90 residues pruned to eliminate duplicates Z: 88 40.858 2.204 0.740 0.397 0.839 0.448 CB 1.517 88 residues pruned to eliminate duplicates Z: 73 51.574 2.381 0.761 0.507 0.917 0.569 CB 1.571 73 residues pruned to eliminate duplicates Z: 67 33.696 2.224 0.671 0.434 0.818 0.561 CB 1.461 67 residues pruned to eliminate duplicates Z: 49 36.500 2.322 0.733 0.455 0.896 0.542 CB 1.531 49 residues pruned to eliminate duplicates Z: 52 35.715 2.279 0.729 0.461 0.902 0.549 CB 1.465 52 residues pruned to eliminate duplicates Z: 99 58.823 2.345 0.872 0.465 0.878 0.561 CB 1.598 99 residues pruned to eliminate duplicates Z: 26 14.204 2.063 0.634 0.269 0.840 0.400 CB 1.305 26 residues pruned to eliminate duplicates Z: 47 34.008 2.324 0.710 0.442 0.848 0.522 CB 1.579 47 residues pruned to eliminate duplicates Z: 82 42.617 2.175 0.773 0.444 0.840 0.617 CB 1.551 82 residues pruned to eliminate duplicates Z: 87 48.574 2.219 0.777 0.474 0.895 0.523 CB 1.523 87 residues pruned to eliminate duplicates Z: 12 12.594 2.154 0.668 0.205 0.909 0.455 CB 1.649 12 residues pruned to eliminate duplicates Z: 50 37.618 2.285 0.814 0.463 0.939 0.612 CB 1.433 50 residues pruned to eliminate duplicates Z: 22 17.804 2.082 0.663 0.352 0.905 0.619 CB 1.456 22 residues pruned to eliminate duplicates Z: 34 23.107 2.261 0.483 0.410 0.939 0.545 CB 1.404 34 residues pruned to eliminate duplicates Z: 46 34.721 2.317 0.823 0.445 0.867 0.600 CB 1.496 46 residues pruned to eliminate duplicates Z: 96 51.614 2.292 0.842 0.449 0.853 0.579 CB 1.550 96 residues pruned to eliminate duplicates Z: 36 20.941 2.223 0.614 0.366 0.857 0.486 CB 1.330 36 residues pruned to eliminate duplicates Z: 38 20.371 2.150 0.509 0.369 0.865 0.514 CB 1.373 38 residues pruned to eliminate duplicates Z: 24 15.883 2.101 0.543 0.318 0.870 0.565 CB 1.437 24 residues pruned to eliminate duplicates Z: 95 61.724 2.320 0.877 0.516 0.904 0.628 CB 1.592 95 residues pruned to eliminate duplicates Z: 57 38.129 2.272 0.781 0.446 0.893 0.679 CB 1.491 57 residues pruned to eliminate duplicates Z: 31 28.849 2.390 0.813 0.434 0.867 0.600 CB 1.502 31 residues pruned to eliminate duplicates Z: 84 45.691 2.213 0.764 0.458 0.928 0.554 CB 1.447 84 residues pruned to eliminate duplicates Z: 91 51.044 2.218 0.865 0.435 0.900 0.600 CB 1.546 91 residues pruned to eliminate duplicates Z: 71 55.669 2.365 0.924 0.476 0.929 0.671 CB 1.614 71 residues pruned to eliminate duplicates Z: 34 29.629 2.283 0.903 0.419 0.818 0.606 CB 1.578 34 residues pruned to eliminate duplicates Z: 33 32.961 2.311 0.917 0.459 0.906 0.656 CB 1.514 33 residues pruned to eliminate duplicates Z: 117 58.959 2.262 0.838 0.466 0.905 0.621 CB 1.505 117 residues pruned to eliminate duplicates Z: 27 35.824 2.459 0.944 0.547 0.846 0.692 CB 1.659 27 residues pruned to eliminate duplicates Z: 60 42.578 2.274 0.828 0.434 0.898 0.593 CB 1.590 60 residues pruned to eliminate duplicates Z: 38 31.714 2.277 0.866 0.469 0.811 0.405 CB 1.562 38 residues pruned to eliminate duplicates Z: 26 41.673 2.451 0.981 0.574 0.960 0.560 CB 1.664 26 residues pruned to eliminate duplicates Z: 34 39.281 2.381 0.951 0.482 0.848 0.515 CB 1.767 34 residues pruned to eliminate duplicates Z: 32 37.440 2.389 0.970 0.514 0.871 0.677 CB 1.618 32 residues pruned to eliminate duplicates Z: 28 39.807 2.426 1.034 0.564 0.926 0.630 CB 1.576 28 residues pruned to eliminate duplicates Z: 29 34.739 2.401 0.894 0.550 0.821 0.643 CB 1.675 29 residues pruned to eliminate duplicates Z: 26 44.439 2.443 1.034 0.616 0.960 0.640 CB 1.670 26 residues pruned to eliminate duplicates Z: 26 36.703 2.380 1.082 0.566 0.880 0.640 CB 1.579 26 residues pruned to eliminate duplicates Z: 26 43.828 2.474 1.015 0.601 0.920 0.640 CB 1.736 26 residues pruned to eliminate duplicates Z: 26 27.878 2.277 1.064 0.476 0.920 0.600 CB 1.322 26 residues pruned to eliminate duplicates Z: 27 35.078 2.416 0.971 0.557 0.846 0.654 CB 1.615 27 residues pruned to eliminate duplicates Z: 26 39.010 2.417 1.103 0.551 0.920 0.600 CB 1.587 26 residues pruned to eliminate duplicates Z: 29 34.197 2.383 0.974 0.519 0.857 0.536 CB 1.572 29 residues pruned to eliminate duplicates Z: 28 40.316 2.453 0.969 0.549 0.926 0.556 CB 1.653 28 residues pruned to eliminate duplicates Z: 26 39.465 2.462 0.995 0.595 0.880 0.680 CB 1.668 26 residues pruned to eliminate duplicates Z: 30 33.362 2.311 0.804 0.591 0.862 0.517 CB 1.580 30 residues pruned to eliminate duplicates Z: 50 34.030 2.201 0.598 0.479 0.939 0.592 CB 1.504 50 residues pruned to eliminate duplicates Z: 74 47.064 2.255 0.674 0.542 0.932 0.589 CB 1.504 74 residues pruned to eliminate duplicates Z: 16 10.051 1.779 0.128 0.471 1.000 0.533 CB 1.332 16 residues pruned to eliminate duplicates Z: 42 31.905 2.159 0.762 0.530 0.878 0.634 CB 1.449 42 residues pruned to eliminate duplicates Z: 78 50.096 2.258 0.794 0.510 0.922 0.571 CB 1.513 78 residues pruned to eliminate duplicates Z: 15 11.232 1.772 0.355 0.542 0.929 0.571 CB 1.292 15 residues pruned to eliminate duplicates Z: 54 32.792 2.136 0.501 0.561 0.981 0.623 CB 1.350 54 residues pruned to eliminate duplicates Z: 49 34.682 2.113 0.694 0.535 0.958 0.521 CB 1.410 49 residues pruned to eliminate duplicates Z: 53 31.394 2.146 0.450 0.575 0.962 0.692 CB 1.353 53 residues pruned to eliminate duplicates Z: 52 33.443 2.171 0.594 0.582 0.922 0.647 CB 1.357 52 residues pruned to eliminate duplicates Z: 78 48.328 2.230 0.738 0.547 0.935 0.623 CB 1.451 78 residues pruned to eliminate duplicates Z: 60 35.036 2.149 0.763 0.464 0.881 0.661 CB 1.417 60 residues pruned to eliminate duplicates Z: 54 38.362 2.155 0.632 0.602 0.943 0.698 CB 1.441 67 residues pruned to eliminate duplicates Z: 13 11.336 1.597 0.529 0.841 0.917 0.750 CB 1.090 13 residues pruned to eliminate duplicates Z: 52 31.750 2.178 0.481 0.581 0.922 0.706 CB 1.383 52 residues pruned to eliminate duplicates Z: 52 33.215 2.158 0.556 0.555 0.941 0.647 CB 1.395 52 residues pruned to eliminate duplicates Z: 63 36.267 2.187 0.612 0.530 0.952 0.710 CB 1.333 63 residues pruned to eliminate duplicates Z: 77 46.488 2.217 0.689 0.573 0.921 0.658 CB 1.441 77 residues pruned to eliminate duplicates Z: 53 32.250 2.141 0.484 0.563 0.923 0.692 CB 1.435 53 residues pruned to eliminate duplicates Z: 36 31.186 2.272 0.624 0.559 0.914 0.686 CB 1.477 36 residues pruned to eliminate duplicates Z: 63 37.761 2.100 0.598 0.563 0.968 0.726 CB 1.390 52 residues pruned to eliminate duplicates Z: 7 8.842 1.958 -0.015 0.865 1.000 0.833 CB 1.370 7 residues pruned to eliminate duplicates Z: 29 14.628 1.842 0.249 0.474 0.893 0.679 CB 1.382 29 residues pruned to eliminate duplicates Z: 55 30.083 2.115 0.524 0.547 0.944 0.685 CB 1.284 55 residues pruned to eliminate duplicates Z: 52 31.757 2.147 0.576 0.572 0.922 0.627 CB 1.330 52 residues pruned to eliminate duplicates Z: 49 30.441 2.165 0.589 0.543 0.917 0.729 CB 1.336 49 residues pruned to eliminate duplicates Z: 51 34.138 2.125 0.633 0.566 0.940 0.580 CB 1.388 51 residues pruned to eliminate duplicates Z: 39 31.775 2.228 0.775 0.513 0.947 0.605 CB 1.358 39 residues pruned to eliminate duplicates Z: 31 33.604 2.252 0.701 0.595 1.000 0.567 CB 1.463 31 residues pruned to eliminate duplicates Z: 39 35.119 2.244 0.707 0.551 0.974 0.684 CB 1.453 39 residues pruned to eliminate duplicates Z: 55 30.859 2.127 0.528 0.548 0.944 0.667 CB 1.305 55 residues pruned to eliminate duplicates Z: 37 32.929 2.261 0.782 0.565 0.917 0.694 CB 1.395 37 residues pruned to eliminate duplicates Z: 59 36.769 2.183 0.616 0.536 0.931 0.569 CB 1.420 59 residues pruned to eliminate duplicates Z: 38 32.073 2.231 0.744 0.551 0.973 0.541 CB 1.325 38 residues pruned to eliminate duplicates Z: 53 32.360 2.146 0.580 0.524 0.962 0.481 CB 1.344 53 residues pruned to eliminate duplicates Z: 38 30.318 2.253 0.623 0.572 0.946 0.649 CB 1.345 38 residues pruned to eliminate duplicates Z: 39 29.744 2.236 0.619 0.555 0.947 0.632 CB 1.333 39 residues pruned to eliminate duplicates Z: 52 33.371 2.124 0.690 0.577 0.941 0.647 CB 1.284 52 residues pruned to eliminate duplicates Z: 50 30.231 2.119 0.640 0.506 0.939 0.673 CB 1.317 50 residues pruned to eliminate duplicates Z: 37 36.366 2.258 0.874 0.612 0.917 0.639 CB 1.405 37 residues pruned to eliminate duplicates Z: 37 37.295 2.283 0.891 0.565 0.972 0.500 CB 1.391 37 residues pruned to eliminate duplicates Z: 37 38.451 2.270 0.932 0.572 1.000 0.667 CB 1.363 37 residues pruned to eliminate duplicates Z: 101 49.293 2.152 0.714 0.490 0.960 0.550 CB 1.407 101 residues pruned to eliminate duplicates Z: 77 47.001 2.226 0.705 0.562 0.934 0.618 CB 1.432 77 residues pruned to eliminate duplicates Z: 40 32.635 2.240 0.756 0.562 0.923 0.667 CB 1.355 40 residues pruned to eliminate duplicates Z: 52 35.588 2.167 0.654 0.573 0.961 0.647 CB 1.349 52 residues pruned to eliminate duplicates Z: 42 33.276 2.154 0.802 0.572 0.951 0.488 CB 1.313 42 residues pruned to eliminate duplicates Z: 21 31.325 2.244 1.108 0.437 1.000 0.700 CB 1.580 21 residues pruned to eliminate duplicates Z: 37 36.326 2.262 0.858 0.583 1.000 0.667 CB 1.330 37 residues pruned to eliminate duplicates Z: 76 51.239 2.240 0.836 0.580 0.933 0.613 CB 1.428 76 residues pruned to eliminate duplicates Z: 53 37.128 2.119 0.690 0.594 0.962 0.615 CB 1.367 53 residues pruned to eliminate duplicates Z: 99 71.727 2.453 0.811 0.531 0.918 0.602 CB 1.723 181 residues pruned to eliminate duplicates Z: 13 26.462 2.384 0.519 0.771 0.917 0.583 CB 1.811 13 residues pruned to eliminate duplicates Z: 91 69.671 2.465 0.892 0.480 0.911 0.578 CB 1.763 91 residues pruned to eliminate duplicates Z: 87 63.617 2.474 0.816 0.461 0.907 0.558 CB 1.752 87 residues pruned to eliminate duplicates Z: 42 42.637 2.348 0.838 0.506 0.927 0.537 CB 1.655 42 residues pruned to eliminate duplicates Z: 75 72.730 2.548 1.003 0.484 0.905 0.541 CB 1.860 75 residues pruned to eliminate duplicates Z: 42 40.503 2.314 0.779 0.455 0.951 0.561 CB 1.691 42 residues pruned to eliminate duplicates Z: 46 44.576 2.318 0.808 0.496 0.956 0.667 CB 1.667 46 residues pruned to eliminate duplicates Z: 113 74.568 2.458 0.930 0.476 0.893 0.536 CB 1.704 113 residues pruned to eliminate duplicates Z: 94 70.056 2.506 0.881 0.512 0.860 0.591 CB 1.769 94 residues pruned to eliminate duplicates Z: 28 40.110 2.377 0.856 0.528 0.889 0.444 CB 1.916 28 residues pruned to eliminate duplicates Z: 37 36.590 2.309 0.805 0.504 0.917 0.611 CB 1.590 37 residues pruned to eliminate duplicates Z: 113 72.268 2.440 0.839 0.467 0.893 0.598 CB 1.762 113 residues pruned to eliminate duplicates Z: 43 43.812 2.331 0.852 0.495 0.929 0.524 CB 1.694 43 residues pruned to eliminate duplicates Z: 26 37.846 2.292 0.928 0.501 0.920 0.480 CB 1.860 26 residues pruned to eliminate duplicates Z: 59 45.497 2.218 0.842 0.487 0.914 0.534 CB 1.621 59 residues pruned to eliminate duplicates Z: 38 21.014 1.950 0.483 0.515 0.865 0.649 CB 1.361 Z: 12 15.076 1.936 0.396 0.792 0.818 0.727 CA 1.591 12 residues pruned to eliminate duplicates Z: 39 24.554 1.971 0.501 0.549 0.895 0.658 CB 1.435 38 residues pruned to eliminate duplicates Z: 10 13.828 2.149 0.238 0.788 0.889 0.556 CB 1.513 10 residues pruned to eliminate duplicates Z: 52 24.610 2.022 0.533 0.519 0.824 0.569 CB 1.324 34 residues pruned to eliminate duplicates Z: 12 16.511 1.907 0.396 0.822 0.909 0.545 CB 1.556 12 residues pruned to eliminate duplicates Z: 27 25.815 1.926 0.525 0.632 1.000 0.692 CB 1.523 27 residues pruned to eliminate duplicates Z: 43 22.125 1.970 0.619 0.459 0.833 0.643 CB 1.339 43 residues pruned to eliminate duplicates Z: 39 24.302 1.957 0.611 0.539 0.868 0.632 CB 1.386 39 residues pruned to eliminate duplicates Z: 11 19.338 2.061 0.516 0.835 0.900 0.500 CB 1.629 11 residues pruned to eliminate duplicates Z: 47 27.580 2.049 0.502 0.538 0.891 0.587 CB 1.429 49 residues pruned to eliminate duplicates Z: 14 18.603 1.993 0.547 0.702 0.846 0.615 CA 1.645 14 residues pruned to eliminate duplicates Z: 23 20.936 1.905 0.628 0.549 0.909 0.545 CB 1.508 23 residues pruned to eliminate duplicates Z: 22 13.528 1.984 0.520 0.393 0.810 0.476 CB 1.354 22 residues pruned to eliminate duplicates Z: 70 35.164 2.174 0.550 0.441 0.870 0.522 CB 1.535 125 residues pruned to eliminate duplicates Z: 20 10.302 2.002 0.204 0.363 0.895 0.632 CB 1.270 Z: 7 8.386 1.867 0.816 0.374 0.833 0.667 CA 1.387 7 residues pruned to eliminate duplicates Z: 115 71.611 2.442 0.804 0.490 0.895 0.588 CB 1.720 135 residues pruned to eliminate duplicates Z: 43 36.292 2.320 0.665 0.481 0.905 0.619 CB 1.632 43 residues pruned to eliminate duplicates Z: 41 39.496 2.326 0.770 0.472 0.925 0.550 CB 1.687 41 residues pruned to eliminate duplicates Z: 91 68.620 2.464 0.869 0.467 0.922 0.600 CB 1.761 91 residues pruned to eliminate duplicates Z: 114 75.372 2.462 0.835 0.482 0.894 0.540 CB 1.789 114 residues pruned to eliminate duplicates Z: 47 38.104 2.274 0.701 0.473 0.935 0.630 CB 1.598 47 residues pruned to eliminate duplicates Z: 48 40.835 2.296 0.769 0.488 0.915 0.617 CB 1.623 48 residues pruned to eliminate duplicates Z: 45 40.050 2.291 0.800 0.480 0.909 0.614 CB 1.643 45 residues pruned to eliminate duplicates Z: 27 24.672 2.185 0.777 0.414 0.962 0.654 CB 1.418 Z: 8 6.661 1.741 0.592 0.371 0.857 0.143 CA 1.217 8 residues pruned to eliminate duplicates Z: 29 33.744 2.283 0.751 0.488 0.893 0.429 CB 1.807 56 residues pruned to eliminate duplicates Z: 89 68.164 2.466 0.902 0.468 0.909 0.602 CB 1.760 89 residues pruned to eliminate duplicates Z: 42 42.293 2.338 0.689 0.507 0.976 0.610 CB 1.703 42 residues pruned to eliminate duplicates Z: 86 69.583 2.441 0.909 0.499 0.918 0.624 CB 1.766 86 residues pruned to eliminate duplicates Z: 92 63.889 2.448 0.864 0.462 0.890 0.615 CB 1.714 92 residues pruned to eliminate duplicates Z: 67 63.346 2.568 0.868 0.486 0.879 0.606 CB 1.874 67 residues pruned to eliminate duplicates Z: 46 53.389 2.488 0.887 0.489 0.933 0.600 CB 1.835 46 residues pruned to eliminate duplicates Z: 50 52.353 2.546 0.859 0.444 0.918 0.571 CB 1.824 50 residues pruned to eliminate duplicates Z: 39 62.404 2.609 1.054 0.554 0.895 0.711 CB 2.004 39 residues pruned to eliminate duplicates Z: 50 55.471 2.545 0.963 0.465 0.857 0.673 CB 1.917 50 residues pruned to eliminate duplicates Z: 86 68.896 2.447 0.831 0.521 0.929 0.671 CB 1.758 86 residues pruned to eliminate duplicates Z: 46 56.886 2.516 1.011 0.504 0.911 0.622 CB 1.833 46 residues pruned to eliminate duplicates Z: 64 73.882 2.496 1.042 0.555 0.921 0.683 CB 1.880 64 residues pruned to eliminate duplicates Z: 84 66.469 2.471 0.921 0.474 0.892 0.578 CB 1.771 72 residues pruned to eliminate duplicates Z: 16 30.698 2.176 0.593 0.875 0.933 0.667 CA 1.782 16 residues pruned to eliminate duplicates Z: 68 68.964 2.560 0.938 0.503 0.910 0.597 CB 1.859 68 residues pruned to eliminate duplicates Z: 44 61.918 2.627 1.046 0.479 0.930 0.605 CB 1.929 44 residues pruned to eliminate duplicates Z: 49 60.635 2.552 1.023 0.473 0.958 0.604 CB 1.818 49 residues pruned to eliminate duplicates Z: 66 66.465 2.584 0.925 0.513 0.892 0.585 CB 1.834 66 residues pruned to eliminate duplicates Z: 47 51.640 2.580 0.887 0.447 0.870 0.543 CB 1.898 47 residues pruned to eliminate duplicates Z: 46 59.936 2.567 1.102 0.510 0.889 0.600 CB 1.845 46 residues pruned to eliminate duplicates Z: 48 51.632 2.530 0.840 0.470 0.957 0.660 CB 1.742 48 residues pruned to eliminate duplicates Z: 39 65.559 2.642 1.119 0.539 0.921 0.632 CB 1.985 39 residues pruned to eliminate duplicates Z: 70 59.319 2.438 1.060 0.452 0.870 0.580 CB 1.717 70 residues pruned to eliminate duplicates Z: 53 50.295 2.466 0.843 0.458 0.942 0.538 CB 1.699 53 residues pruned to eliminate duplicates Z: 68 71.781 2.563 0.978 0.499 0.910 0.657 CB 1.900 68 residues pruned to eliminate duplicates Z: 35 41.017 2.608 0.676 0.458 0.912 0.618 CB 1.842 35 residues pruned to eliminate duplicates Z: 18 36.673 2.477 1.089 0.426 0.941 0.588 CB 1.974 18 residues pruned to eliminate duplicates Z: 44 65.190 2.671 1.070 0.488 0.907 0.605 CB 2.007 44 residues pruned to eliminate duplicates Z: 114 68.298 2.391 0.909 0.450 0.876 0.549 CB 1.691 114 residues pruned to eliminate duplicates Z: 125 75.708 2.429 0.960 0.490 0.895 0.565 CB 1.613 125 residues pruned to eliminate duplicates Z: 74 62.724 2.481 1.020 0.499 0.877 0.562 CB 1.674 74 residues pruned to eliminate duplicates Z: 43 62.736 2.677 0.983 0.491 0.929 0.643 CB 1.983 43 residues pruned to eliminate duplicates Z: 85 70.864 2.485 0.989 0.504 0.905 0.655 CB 1.723 85 residues pruned to eliminate duplicates Z: 93 79.915 2.509 0.965 0.532 0.924 0.630 CB 1.772 93 residues pruned to eliminate duplicates Z: 52 58.827 2.524 1.025 0.473 0.941 0.608 CB 1.759 52 residues pruned to eliminate duplicates Z: 57 41.248 2.428 0.744 0.408 0.857 0.536 CB 1.672 44 residues pruned to eliminate duplicates Z: 10 20.684 1.983 0.725 0.821 1.000 0.667 CB 1.525 8 residues pruned to eliminate duplicates Z: 10 19.033 2.193 0.749 0.746 0.889 0.556 CB 1.493 10 residues pruned to eliminate duplicates Z: 43 57.680 2.519 1.045 0.444 0.929 0.595 CB 1.972 43 residues pruned to eliminate duplicates Z: 80 67.255 2.500 0.916 0.501 0.899 0.595 CB 1.756 80 residues pruned to eliminate duplicates Z: 48 41.681 2.466 0.960 0.412 0.787 0.489 CB 1.751 48 residues pruned to eliminate duplicates Z: 72 60.845 2.488 0.960 0.501 0.887 0.577 CB 1.667 72 residues pruned to eliminate duplicates Z: 75 75.832 2.529 1.081 0.508 0.932 0.568 CB 1.782 75 residues pruned to eliminate duplicates Z: 83 68.807 2.513 0.958 0.496 0.890 0.598 CB 1.741 83 residues pruned to eliminate duplicates Z: 48 47.044 2.445 0.954 0.455 0.872 0.596 CB 1.725 48 residues pruned to eliminate duplicates Z: 32 33.106 2.336 0.773 0.443 0.871 0.613 CB 1.748 32 residues pruned to eliminate duplicates Z: 37 43.934 2.417 0.894 0.559 0.917 0.639 CB 1.648 37 residues pruned to eliminate duplicates Z: 49 48.756 2.451 0.885 0.511 0.896 0.542 CB 1.682 49 residues pruned to eliminate duplicates Z: 27 34.160 2.429 0.762 0.589 0.885 0.615 CB 1.624 27 residues pruned to eliminate duplicates Z: 26 36.980 2.433 0.819 0.588 0.880 0.600 CB 1.745 26 residues pruned to eliminate duplicates Z: 27 36.583 2.403 0.762 0.598 0.923 0.500 CB 1.672 27 residues pruned to eliminate duplicates Z: 23 32.146 2.380 0.627 0.549 0.955 0.409 CB 1.767 23 residues pruned to eliminate duplicates Z: 25 35.347 2.385 0.883 0.476 0.875 0.500 CB 1.881 25 residues pruned to eliminate duplicates Z: 31 31.165 2.205 1.027 0.362 0.900 0.533 CB 1.641 31 residues pruned to eliminate duplicates Z: 26 27.385 2.332 0.678 0.460 0.880 0.520 CB 1.657 26 residues pruned to eliminate duplicates Z: 13 17.778 2.389 0.564 0.359 0.917 0.667 CB 1.744 13 residues pruned to eliminate duplicates Z: 25 40.727 2.494 0.768 0.596 0.958 0.667 CB 1.795 25 residues pruned to eliminate duplicates Z: 60 58.205 2.488 0.912 0.526 0.898 0.593 CB 1.728 60 residues pruned to eliminate duplicates Z: 21 26.214 2.293 1.076 0.442 0.850 0.550 CB 1.539 21 residues pruned to eliminate duplicates Z: 11 16.425 2.355 0.749 0.422 0.800 0.500 CA 1.710 11 residues pruned to eliminate duplicates Z: 16 16.729 2.171 0.841 0.371 0.800 0.600 CA 1.551 16 residues pruned to eliminate duplicates Z: 13 19.077 2.288 0.693 0.443 0.917 0.583 CB 1.646 13 residues pruned to eliminate duplicates Z: 12 18.749 2.239 1.013 0.355 0.909 0.636 CA 1.615 12 residues pruned to eliminate duplicates Z: 36 37.632 2.366 0.938 0.468 0.914 0.571 CB 1.567 36 residues pruned to eliminate duplicates Z: 100 75.956 2.421 0.854 0.538 0.960 0.626 CB 1.707 100 residues pruned to eliminate duplicates Z: 34 41.055 2.383 0.994 0.478 0.939 0.576 CB 1.637 34 residues pruned to eliminate duplicates Z: 22 45.269 2.590 1.236 0.555 0.905 0.714 CB 1.786 9 residues pruned to eliminate duplicates Z: 9 18.188 2.321 1.273 0.763 0.875 0.500 CB 1.103 9 residues pruned to eliminate duplicates Z: 31 44.473 2.351 1.099 0.613 0.933 0.533 CB 1.584 31 residues pruned to eliminate duplicates Z: 27 49.204 2.504 1.156 0.687 0.923 0.654 CB 1.631 27 residues pruned to eliminate duplicates Z: 28 47.165 2.430 1.097 0.666 0.926 0.593 CB 1.649 28 residues pruned to eliminate duplicates Z: 30 46.247 2.390 1.090 0.636 0.897 0.586 CB 1.687 30 residues pruned to eliminate duplicates Z: 35 39.716 2.235 1.019 0.615 0.882 0.529 CB 1.534 35 residues pruned to eliminate duplicates Z: 27 56.192 2.525 1.216 0.680 0.962 0.654 CB 1.735 27 residues pruned to eliminate duplicates Z: 19 34.756 2.369 0.855 0.824 0.944 0.556 CB 1.490 18 residues pruned to eliminate duplicates Z: 6 9.902 2.151 0.837 0.792 0.800 0.600 CA 1.084 6 residues pruned to eliminate duplicates Z: 27 53.459 2.523 1.264 0.680 0.923 0.654 CB 1.685 28 residues pruned to eliminate duplicates Z: 7 21.165 2.485 1.293 0.467 1.000 0.500 CA 1.568 7 residues pruned to eliminate duplicates Z: 29 46.651 2.418 1.117 0.682 0.893 0.643 CB 1.633 29 residues pruned to eliminate duplicates Z: 28 51.384 2.429 1.165 0.658 0.963 0.630 CB 1.686 28 residues pruned to eliminate duplicates Z: 31 46.732 2.380 1.214 0.646 0.900 0.633 CB 1.571 28 residues pruned to eliminate duplicates Z: 7 4.576 1.522 0.746 0.391 0.833 0.667 CA 0.946 7 residues pruned to eliminate duplicates Z: 30 49.483 2.398 1.234 0.660 0.897 0.552 CB 1.649 31 residues pruned to eliminate duplicates Z: 6 10.407 2.072 1.264 0.265 0.800 0.400 CA 1.622 6 residues pruned to eliminate duplicates Z: 31 46.607 2.333 1.206 0.612 0.933 0.567 CB 1.594 31 residues pruned to eliminate duplicates Z: 28 50.412 2.400 1.153 0.680 1.000 0.667 CB 1.591 28 residues pruned to eliminate duplicates 331 residues left after pruning, divided into chains as follows: A: 7 B: 7 C: 293 D: 16 E: 8 CC for partial structure against native data = 34.18 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.584, Connect. = 0.750 for dens.mod. cycle 1 = 0.300, Contrast = 0.667, Connect. = 0.779 for dens.mod. cycle 2 = 0.300, Contrast = 0.779, Connect. = 0.805 for dens.mod. cycle 3 = 0.300, Contrast = 0.786, Connect. = 0.808 for dens.mod. cycle 4 = 0.300, Contrast = 0.796, Connect. = 0.810 for dens.mod. cycle 5 = 0.300, Contrast = 0.799, Connect. = 0.812 for dens.mod. cycle 6 = 0.300, Contrast = 0.803, Connect. = 0.813 for dens.mod. cycle 7 = 0.300, Contrast = 0.804, Connect. = 0.815 for dens.mod. cycle 8 = 0.300, Contrast = 0.805, Connect. = 0.815 for dens.mod. cycle 9 = 0.300, Contrast = 0.805, Connect. = 0.816 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 3.82 - 3.01 - 2.62 - 2.38 - 2.21 - 2.07 - 1.97 - 1.88 - 1.81 - 1.75 0.731 0.744 0.744 0.757 0.751 0.722 0.673 0.636 0.596 0.560 0.882 0.888 0.893 0.899 0.887 0.849 0.792 0.738 0.699 0.646 N 5690 5744 5769 5634 5610 6070 5463 5949 5460 5442 Estimated mean FOM = 0.692 Pseudo-free CC = 71.34 % Best trace (cycle 1 with CC 40.90%) was saved as ./2p7i-1.7-parrot-noncs/2p7i-1.7-parrot-noncs.pdb ============================================================================== CPU times required in seconds ----------------------------- 2.7 - Setup, data input and phasing 27.1 - FFTs and peak-searches 22.3 - Sphere of influence 0.7 - Rest of density modification 0.0 - Alpha-helix search 1007.2 - Tripeptide search 15986.9 - Chain tracing 0.0 - NCS analysis 56.0 - B-value refinement for trace 0.5 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 05:02:27 Total time: 17103.37 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 286.59 Used memory is bytes: 11514040