null ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:09:47 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.ins Phases from ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.phi Native data from ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.hkl Listing output to ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.lst Phases output to ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.phs Poly-Ala trace output to ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.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: C 1 2 1 Allowed origin shift code: 3 38894 Reflections read from file ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.phi 38894 Reflections read from file ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.hkl 38894 Unique data, highest resolution = 1.905 Angstroms Anisotropic scaling: intensities multiplied by 0.000142h^2 -0.000213k^2 +0.000061l^2 +0.000000kl +0.000300hl +0.000000hk 439 Reflections with d > 2.105 and 0 in range 2.105 > d > 1.905 added Density sharpening factor set to 0.89 Fourier grid = 256 x 128 x 93 0.000 <= z <= 0.500 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.776 = 0.300, Contrast = 0.489, Connect. = 0.754 for dens.mod. cycle 1 = 0.300, Contrast = 0.565, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.669, Connect. = 0.790 for dens.mod. cycle 3 = 0.300, Contrast = 0.690, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.703, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.711, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.717, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.721, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.724, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.726, Connect. = 0.803 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2892 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 574 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 23 52.847 2.257 1.452 0.910 1.000 0.727 CB 1.444 B: 19 50.074 2.172 1.388 0.935 1.000 0.722 CA 1.586 C: 15 24.419 2.030 0.834 0.809 0.929 0.857 CA 1.443 D: 20 42.760 2.155 1.258 0.867 1.000 0.526 CB 1.474 21 residues pruned to eliminate duplicates E: 22 56.162 2.320 1.290 0.942 0.952 0.524 CB 1.679 23 residues pruned to eliminate duplicates F: 14 24.701 2.049 0.770 0.902 0.923 0.923 CA 1.460 G: 16 20.674 1.940 0.603 0.816 1.000 0.667 CA 1.305 15 residues pruned to eliminate duplicates H: 22 59.823 2.356 1.440 0.931 1.000 0.714 CB 1.587 22 residues pruned to eliminate duplicates I: 23 47.758 2.296 1.129 0.895 0.955 0.818 CA 1.564 23 residues pruned to eliminate duplicates J: 19 42.568 2.157 1.354 0.927 0.889 0.667 CA 1.558 19 residues pruned to eliminate duplicates K: 23 41.030 2.214 0.972 0.900 1.000 0.591 CB 1.431 23 residues pruned to eliminate duplicates L: 15 24.317 2.000 0.702 0.892 0.929 0.857 CA 1.476 16 residues pruned to eliminate duplicates M: 14 30.856 2.104 1.095 0.910 0.923 0.769 CB 1.492 13 residues pruned to eliminate duplicates N: 23 59.842 2.287 1.535 0.927 1.000 0.591 CB 1.542 23 residues pruned to eliminate duplicates O: 22 36.538 2.013 0.970 0.924 1.000 0.619 CB 1.412 P: 21 53.548 2.328 1.511 0.915 0.900 0.500 CB 1.609 21 residues pruned to eliminate duplicates Q: 18 46.042 2.195 1.497 0.900 0.941 0.706 CA 1.547 18 residues pruned to eliminate duplicates R: 13 28.514 2.196 0.945 0.872 0.917 0.667 CB 1.533 13 residues pruned to eliminate duplicates S: 16 33.916 2.128 0.948 0.926 1.000 0.533 CB 1.482 16 residues pruned to eliminate duplicates T: 27 34.116 2.095 0.829 0.896 1.000 0.846 CB 1.251 U: 19 40.305 2.023 1.293 0.908 1.000 0.778 CA 1.455 V: 18 42.667 2.081 1.343 0.909 1.000 0.647 CB 1.507 18 residues pruned to eliminate duplicates W: 17 37.883 2.097 1.113 0.916 1.000 0.625 CA 1.509 17 residues pruned to eliminate duplicates X: 12 19.843 1.976 0.490 0.881 1.000 1.000 CB 1.470 Y: 22 59.000 2.336 1.415 0.934 1.000 0.571 CB 1.591 22 residues pruned to eliminate duplicates Z: 19 35.066 2.109 0.744 0.941 1.000 0.778 CA 1.559 20 residues pruned to eliminate duplicates Z: 27 29.234 1.941 0.792 0.903 1.000 0.654 CB 1.174 Z: 14 22.707 2.134 0.655 0.800 0.923 0.769 CA 1.486 14 residues pruned to eliminate duplicates Z: 15 22.921 1.873 1.285 0.882 0.929 0.786 CB 1.115 Z: 19 32.235 2.009 1.085 0.882 0.889 0.611 CB 1.478 19 residues pruned to eliminate duplicates Z: 20 48.655 2.106 1.437 0.908 1.000 0.789 CA 1.545 18 residues pruned to eliminate duplicates Z: 27 35.193 2.068 0.906 0.912 0.962 0.885 CB 1.290 27 residues pruned to eliminate duplicates Z: 18 44.064 2.222 1.178 0.912 1.000 0.765 CB 1.564 18 residues pruned to eliminate duplicates Z: 18 40.221 2.087 1.260 0.938 1.000 1.000 CB 1.437 18 residues pruned to eliminate duplicates Z: 48 43.775 2.111 0.893 0.645 0.915 0.766 CA 1.525 40 residues pruned to eliminate duplicates Z: 15 15.914 1.820 0.746 0.475 1.000 0.643 CA 1.373 Z: 24 42.073 2.227 0.865 0.906 1.000 0.913 CB 1.503 24 residues pruned to eliminate duplicates Z: 23 42.767 1.973 1.216 0.941 1.000 0.727 CB 1.447 22 residues pruned to eliminate duplicates Z: 17 17.025 1.947 0.637 0.539 0.875 0.625 CA 1.469 17 residues pruned to eliminate duplicates Z: 13 28.446 2.143 0.794 0.913 1.000 0.833 CB 1.513 13 residues pruned to eliminate duplicates Z: 22 54.298 2.354 1.145 0.933 1.000 0.857 CB 1.638 25 residues pruned to eliminate duplicates Z: 25 30.320 2.044 0.833 0.923 0.958 0.875 CB 1.211 25 residues pruned to eliminate duplicates Z: 13 30.012 2.148 1.418 0.836 0.917 0.667 CB 1.362 13 residues pruned to eliminate duplicates Z: 16 19.991 1.895 0.847 0.851 1.000 0.800 CA 1.092 Z: 20 46.019 2.130 1.153 0.944 1.000 0.684 CB 1.595 20 residues pruned to eliminate duplicates Z: 15 25.179 2.014 1.322 0.913 0.929 0.857 CA 1.096 16 residues pruned to eliminate duplicates Z: 17 40.763 2.140 1.099 0.938 1.000 0.938 CA 1.578 17 residues pruned to eliminate duplicates Z: 13 14.853 1.971 0.516 0.798 0.917 0.750 CB 1.206 Z: 16 20.966 2.087 0.466 0.918 0.933 0.800 CB 1.337 16 residues pruned to eliminate duplicates Z: 21 50.922 2.325 1.209 0.950 1.000 0.650 CB 1.529 21 residues pruned to eliminate duplicates Z: 18 47.662 2.249 1.383 0.885 0.941 0.647 CA 1.655 19 residues pruned to eliminate duplicates Z: 18 29.195 2.135 1.266 0.813 0.941 0.353 CB 1.184 18 residues pruned to eliminate duplicates Z: 13 19.066 1.900 0.415 0.827 1.000 0.750 CB 1.542 11 residues pruned to eliminate duplicates Z: 14 19.108 1.868 0.450 0.844 0.923 0.846 CB 1.578 14 residues pruned to eliminate duplicates Z: 21 41.569 2.091 1.184 0.902 0.950 0.650 CB 1.528 22 residues pruned to eliminate duplicates Z: 13 23.359 2.211 0.515 0.905 0.917 0.917 CB 1.564 13 residues pruned to eliminate duplicates Z: 26 31.890 2.117 0.758 0.924 0.960 0.800 CB 1.253 26 residues pruned to eliminate duplicates Z: 19 41.853 2.025 1.307 0.934 1.000 0.778 CB 1.472 19 residues pruned to eliminate duplicates Z: 14 20.440 2.032 0.705 0.606 0.923 0.692 CB 1.602 15 residues pruned to eliminate duplicates Z: 15 31.955 2.043 1.058 0.900 1.000 0.571 CA 1.451 15 residues pruned to eliminate duplicates Z: 24 33.738 2.187 0.602 0.897 1.000 0.913 CA 1.438 23 residues pruned to eliminate duplicates Z: 16 41.977 2.289 1.407 0.871 0.867 0.467 CA 1.656 16 residues pruned to eliminate duplicates Z: 23 44.902 2.293 1.138 0.872 0.955 0.818 CB 1.491 23 residues pruned to eliminate duplicates Z: 20 46.410 2.105 1.304 0.932 1.000 0.789 CB 1.533 20 residues pruned to eliminate duplicates Z: 20 42.706 2.115 1.319 0.925 1.000 0.526 CA 1.402 20 residues pruned to eliminate duplicates Z: 16 25.549 1.958 0.671 0.880 1.000 0.867 CA 1.462 Z: 23 55.014 2.293 1.483 0.888 0.955 0.727 CB 1.555 23 residues pruned to eliminate duplicates Z: 13 18.917 1.976 1.022 0.770 0.917 0.667 CB 1.174 13 residues pruned to eliminate duplicates Z: 20 42.754 2.084 1.333 0.893 1.000 0.789 CA 1.448 20 residues pruned to eliminate duplicates Z: 27 24.356 1.960 0.617 0.887 0.962 0.846 CB 1.130 27 residues pruned to eliminate duplicates Z: 19 37.449 2.031 1.197 0.930 0.944 0.833 CA 1.465 19 residues pruned to eliminate duplicates Z: 14 27.200 2.091 1.158 0.900 0.923 0.846 CB 1.294 14 residues pruned to eliminate duplicates Z: 11 18.592 1.839 0.615 0.888 1.000 0.900 CB 1.426 11 residues pruned to eliminate duplicates Z: 17 20.536 1.755 1.040 0.850 0.938 0.750 CB 1.133 16 residues pruned to eliminate duplicates Z: 21 29.335 2.055 0.496 0.941 1.000 0.950 CA 1.480 20 residues pruned to eliminate duplicates Z: 12 27.143 2.095 1.058 0.845 1.000 0.727 CA 1.412 13 residues pruned to eliminate duplicates Z: 23 41.428 1.964 1.256 0.941 1.000 0.773 CB 1.384 22 residues pruned to eliminate duplicates Z: 21 31.496 2.063 0.626 0.912 1.000 0.900 CA 1.487 21 residues pruned to eliminate duplicates Z: 18 38.448 2.171 1.288 0.909 0.941 0.529 CB 1.415 18 residues pruned to eliminate duplicates Z: 15 30.803 2.046 1.083 0.832 1.000 0.643 CA 1.450 15 residues pruned to eliminate duplicates Z: 23 49.988 2.260 1.276 0.928 1.000 0.727 CB 1.451 23 residues pruned to eliminate duplicates Z: 17 20.018 1.945 0.557 0.801 0.875 0.875 CA 1.452 17 residues pruned to eliminate duplicates Z: 11 27.791 2.049 1.229 0.900 1.000 0.500 CB 1.374 11 residues pruned to eliminate duplicates Z: 19 33.253 1.981 1.177 0.878 0.944 0.667 CA 1.396 19 residues pruned to eliminate duplicates Z: 13 28.054 2.073 1.126 0.926 1.000 0.833 CB 1.288 13 residues pruned to eliminate duplicates Z: 25 37.417 2.161 1.066 0.928 0.958 0.750 CB 1.250 26 residues pruned to eliminate duplicates Z: 21 35.956 2.068 0.805 0.942 1.000 0.900 CB 1.493 21 residues pruned to eliminate duplicates Z: 21 44.502 2.077 1.117 0.936 1.000 0.500 CA 1.576 22 residues pruned to eliminate duplicates Z: 13 18.908 1.847 0.558 0.868 1.000 0.917 CB 1.386 14 residues pruned to eliminate duplicates Z: 12 19.763 1.953 0.456 0.896 1.000 0.818 CB 1.501 12 residues pruned to eliminate duplicates Z: 25 38.589 2.168 0.809 0.916 1.000 0.833 CA 1.418 25 residues pruned to eliminate duplicates Z: 22 30.362 2.015 0.627 0.927 1.000 0.905 CA 1.416 22 residues pruned to eliminate duplicates Z: 8 18.221 1.950 0.916 0.697 1.000 0.857 CA 1.540 8 residues pruned to eliminate duplicates Z: 18 42.023 2.064 1.372 0.929 1.000 0.588 CB 1.457 18 residues pruned to eliminate duplicates Z: 15 28.364 2.025 1.100 0.800 0.929 0.714 CA 1.477 15 residues pruned to eliminate duplicates Z: 18 39.067 2.089 1.241 0.906 0.941 0.882 CB 1.530 19 residues pruned to eliminate duplicates Z: 22 53.650 2.330 1.181 0.932 1.000 0.810 CB 1.609 23 residues pruned to eliminate duplicates Z: 12 10.978 1.699 0.035 0.891 1.000 0.818 CA 1.353 Z: 17 22.874 1.765 1.282 0.895 0.938 0.812 CA 1.086 17 residues pruned to eliminate duplicates Z: 19 35.896 2.035 0.988 0.899 1.000 0.889 CA 1.495 19 residues pruned to eliminate duplicates Z: 12 24.908 1.961 1.172 0.908 1.000 1.000 CA 1.252 Z: 12 25.389 2.039 0.969 0.916 1.000 0.818 CB 1.346 12 residues pruned to eliminate duplicates Z: 14 28.325 2.098 0.830 0.862 1.000 0.769 CA 1.502 14 residues pruned to eliminate duplicates Z: 26 32.386 1.997 0.948 0.834 0.960 0.720 CB 1.300 28 residues pruned to eliminate duplicates Z: 17 29.879 2.080 0.909 0.894 0.938 0.938 CA 1.440 17 residues pruned to eliminate duplicates Z: 18 34.568 2.190 1.011 0.920 0.941 0.882 CA 1.424 18 residues pruned to eliminate duplicates Z: 20 24.644 2.104 0.584 0.887 0.947 0.579 CB 1.291 20 residues pruned to eliminate duplicates Z: 22 46.010 2.255 1.211 0.899 0.952 0.429 CB 1.512 22 residues pruned to eliminate duplicates Z: 13 29.613 2.003 1.303 0.867 1.000 0.917 CA 1.356 12 residues pruned to eliminate duplicates Z: 13 19.727 1.911 0.578 0.915 1.000 0.833 CA 1.335 13 residues pruned to eliminate duplicates Z: 13 17.340 1.834 0.830 0.852 0.917 0.750 CB 1.204 13 residues pruned to eliminate duplicates Z: 26 26.023 2.070 0.437 0.885 1.000 0.800 CB 1.263 26 residues pruned to eliminate duplicates Z: 14 15.699 1.778 0.450 0.872 1.000 0.923 CB 1.231 14 residues pruned to eliminate duplicates Z: 23 42.937 2.251 0.942 0.922 1.000 0.909 CB 1.472 23 residues pruned to eliminate duplicates Z: 16 43.390 2.339 1.058 0.899 1.000 0.867 CB 1.663 16 residues pruned to eliminate duplicates Z: 19 44.955 2.151 1.417 0.904 0.944 0.833 CA 1.537 19 residues pruned to eliminate duplicates Z: 14 37.485 2.144 1.342 0.932 0.923 0.615 CA 1.566 14 residues pruned to eliminate duplicates Z: 23 53.951 2.256 1.389 0.915 0.955 0.591 CB 1.580 23 residues pruned to eliminate duplicates Z: 14 23.188 1.809 0.928 0.875 1.000 0.769 CB 1.341 13 residues pruned to eliminate duplicates Z: 13 18.097 1.821 0.819 0.893 0.917 0.750 CB 1.236 Z: 20 18.139 1.913 0.786 0.418 0.895 0.632 CA 1.483 14 residues pruned to eliminate duplicates Z: 17 38.055 2.164 1.085 0.917 1.000 0.875 CA 1.488 17 residues pruned to eliminate duplicates Z: 26 32.349 2.105 0.787 0.884 1.000 0.600 CB 1.243 26 residues pruned to eliminate duplicates Z: 13 20.320 1.860 0.848 0.900 0.917 0.667 CB 1.330 13 residues pruned to eliminate duplicates Z: 14 28.548 2.191 0.946 0.834 0.923 0.769 CA 1.507 14 residues pruned to eliminate duplicates Z: 26 25.661 1.966 0.935 0.858 0.880 0.560 CB 1.129 26 residues pruned to eliminate duplicates Z: 15 18.884 1.977 0.720 0.572 0.929 0.643 CA 1.492 15 residues pruned to eliminate duplicates Z: 16 28.907 2.204 1.056 0.876 1.000 0.333 CB 1.198 16 residues pruned to eliminate duplicates Z: 13 32.523 2.106 1.488 0.917 1.000 0.833 CB 1.264 14 residues pruned to eliminate duplicates Z: 26 25.935 2.006 0.657 0.886 0.960 0.720 CB 1.173 26 residues pruned to eliminate duplicates Z: 14 31.991 2.182 1.200 0.903 0.923 0.769 CB 1.427 14 residues pruned to eliminate duplicates Z: 15 36.061 2.169 1.229 0.878 0.929 0.643 CB 1.557 17 residues pruned to eliminate duplicates Z: 19 31.965 1.991 1.063 0.864 0.944 0.889 CA 1.424 19 residues pruned to eliminate duplicates Z: 25 27.553 2.053 0.544 0.915 1.000 0.917 CB 1.254 25 residues pruned to eliminate duplicates Z: 10 13.011 1.830 0.352 0.884 1.000 0.778 CB 1.266 11 residues pruned to eliminate duplicates Z: 20 14.116 1.787 0.184 0.893 1.000 0.895 CB 1.098 20 residues pruned to eliminate duplicates Z: 26 33.827 2.111 0.905 0.855 0.960 0.720 CB 1.293 26 residues pruned to eliminate duplicates Z: 25 41.363 2.183 1.100 0.922 0.958 0.750 CB 1.351 25 residues pruned to eliminate duplicates Z: 25 29.016 2.120 0.569 0.900 1.000 0.833 CB 1.272 25 residues pruned to eliminate duplicates Z: 16 20.777 1.937 0.420 0.860 1.000 0.867 CB 1.434 16 residues pruned to eliminate duplicates Z: 20 40.241 2.083 1.310 0.929 0.947 0.895 CA 1.417 20 residues pruned to eliminate duplicates Z: 20 42.486 2.068 1.233 0.919 1.000 0.368 CB 1.487 20 residues pruned to eliminate duplicates Z: 21 47.873 2.024 1.503 0.943 1.000 0.350 CB 1.465 21 residues pruned to eliminate duplicates Z: 25 11.264 1.731 0.714 0.302 0.833 0.583 CB 1.159 Z: 11 29.828 2.045 1.203 0.933 1.000 0.900 CB 1.461 12 residues pruned to eliminate duplicates Z: 12 16.155 1.831 0.718 0.890 1.000 0.818 CB 1.114 12 residues pruned to eliminate duplicates Z: 27 21.858 1.907 0.381 0.891 1.000 0.885 CB 1.170 27 residues pruned to eliminate duplicates Z: 21 21.358 1.907 0.299 0.884 1.000 0.800 CB 1.393 21 residues pruned to eliminate duplicates Z: 26 30.993 2.101 0.929 0.876 0.920 0.640 CB 1.208 26 residues pruned to eliminate duplicates Z: 15 21.962 1.832 0.769 0.925 1.000 0.786 CA 1.271 15 residues pruned to eliminate duplicates Z: 13 31.575 2.086 1.477 0.925 1.000 0.667 CB 1.238 13 residues pruned to eliminate duplicates Z: 16 23.630 1.904 0.746 0.882 0.933 0.800 CA 1.423 16 residues pruned to eliminate duplicates Z: 13 19.905 1.840 0.773 0.901 0.917 0.917 CA 1.371 13 residues pruned to eliminate duplicates Z: 12 17.109 1.899 0.402 0.892 0.909 0.909 CA 1.530 12 residues pruned to eliminate duplicates Z: 17 23.690 1.862 0.640 0.857 1.000 0.750 CB 1.429 17 residues pruned to eliminate duplicates Z: 12 21.576 1.984 0.624 0.897 1.000 0.909 CB 1.445 13 residues pruned to eliminate duplicates Z: 18 21.628 1.959 0.778 0.889 0.941 0.706 CB 1.152 18 residues pruned to eliminate duplicates Z: 16 23.213 1.931 0.602 0.871 1.000 0.867 CB 1.414 16 residues pruned to eliminate duplicates Z: 21 27.677 2.003 0.540 0.903 1.000 0.800 CA 1.430 21 residues pruned to eliminate duplicates Z: 7 7.811 1.934 0.291 0.600 0.833 0.667 CA 1.392 7 residues pruned to eliminate duplicates Z: 23 49.896 2.246 1.286 0.946 1.000 0.727 CB 1.433 23 residues pruned to eliminate duplicates Z: 70 63.828 2.123 1.092 0.704 0.986 0.768 CB 1.458 64 residues pruned to eliminate duplicates Z: 20 27.617 2.026 0.622 0.904 0.947 0.737 CA 1.450 20 residues pruned to eliminate duplicates Z: 8 15.938 1.902 0.883 0.903 1.000 0.714 CB 1.199 8 residues pruned to eliminate duplicates Z: 20 31.751 2.063 0.730 0.914 1.000 0.684 CA 1.443 20 residues pruned to eliminate duplicates Z: 11 11.399 1.686 0.447 0.881 1.000 0.800 CB 1.069 Z: 6 6.767 1.585 0.341 0.766 1.000 0.400 CB 1.125 Z: 18 49.397 2.216 1.480 0.907 1.000 0.882 CA 1.549 18 residues pruned to eliminate duplicates Z: 26 31.089 2.069 0.818 0.925 1.000 0.840 CB 1.160 26 residues pruned to eliminate duplicates Z: 26 29.950 2.084 0.660 0.927 0.960 0.800 CB 1.263 26 residues pruned to eliminate duplicates Z: 23 52.341 2.245 1.239 0.908 1.000 0.682 CB 1.577 23 residues pruned to eliminate duplicates Z: 8 13.304 1.902 0.443 0.916 1.000 1.000 CB 1.294 8 residues pruned to eliminate duplicates Z: 21 46.449 2.269 1.132 0.890 1.000 0.700 CB 1.545 21 residues pruned to eliminate duplicates Z: 10 15.697 1.898 0.353 0.896 1.000 0.667 CB 1.460 10 residues pruned to eliminate duplicates Z: 14 18.940 1.949 0.274 0.925 1.000 0.923 CA 1.485 14 residues pruned to eliminate duplicates Z: 26 23.713 1.986 0.512 0.911 0.960 0.880 CB 1.167 26 residues pruned to eliminate duplicates Z: 26 28.675 2.083 0.702 0.880 0.960 0.720 CB 1.221 26 residues pruned to eliminate duplicates Z: 26 27.683 2.105 0.640 0.873 0.920 0.840 CB 1.270 26 residues pruned to eliminate duplicates Z: 14 31.182 2.143 1.097 0.890 0.923 0.769 CB 1.501 14 residues pruned to eliminate duplicates Z: 11 37.896 2.329 1.344 0.897 1.000 0.600 CB 1.571 11 residues pruned to eliminate duplicates Z: 26 21.520 1.938 0.548 0.877 0.960 0.800 CB 1.085 26 residues pruned to eliminate duplicates 6 1.158 1.607 0.565 0.297 0.600 0.400 CB 0.430 ? Z: 21 34.581 2.001 1.111 0.892 0.950 0.750 CA 1.384 21 residues pruned to eliminate duplicates Z: 8 3.572 1.417 0.739 0.421 0.714 0.571 CA 0.833 Z: 25 29.069 2.041 0.784 0.913 0.958 0.625 CB 1.203 26 residues pruned to eliminate duplicates Z: 24 21.100 1.882 1.137 0.538 0.826 0.478 CB 1.275 24 residues pruned to eliminate duplicates Z: 7 3.790 1.772 0.247 0.431 0.667 0.667 CB 1.128 Z: 21 39.544 2.006 1.251 0.858 0.950 0.800 CA 1.518 21 residues pruned to eliminate duplicates Z: 16 21.716 1.922 0.663 0.856 0.933 0.800 CB 1.386 16 residues pruned to eliminate duplicates Z: 18 38.323 2.068 1.078 0.908 1.000 0.941 CA 1.536 18 residues pruned to eliminate duplicates Z: 25 31.137 2.148 0.601 0.914 1.000 0.750 CB 1.308 25 residues pruned to eliminate duplicates Z: 21 40.685 2.008 1.247 0.925 1.000 0.600 CB 1.414 21 residues pruned to eliminate duplicates Z: 14 31.758 2.065 1.499 0.946 0.923 0.538 CA 1.279 14 residues pruned to eliminate duplicates Z: 19 18.948 1.979 0.233 0.920 1.000 0.833 CB 1.289 19 residues pruned to eliminate duplicates Z: 14 20.082 1.665 0.989 0.869 1.000 0.308 CA 1.228 13 residues pruned to eliminate duplicates Z: 15 11.291 1.622 0.428 0.874 1.000 0.857 CB 0.948 Z: 19 33.965 2.010 1.049 0.911 1.000 0.833 CA 1.378 19 residues pruned to eliminate duplicates Z: 26 23.436 1.945 0.382 0.923 1.000 0.960 CB 1.226 26 residues pruned to eliminate duplicates Z: 16 26.456 1.868 1.289 0.900 0.933 0.733 CA 1.223 15 residues pruned to eliminate duplicates Z: 8 16.471 1.862 1.102 0.908 1.000 0.714 CB 1.130 8 residues pruned to eliminate duplicates Z: 27 22.929 2.003 0.379 0.911 0.962 0.846 CB 1.200 27 residues pruned to eliminate duplicates Z: 20 26.765 2.001 0.538 0.907 1.000 0.895 CA 1.418 20 residues pruned to eliminate duplicates Z: 16 16.024 1.919 0.560 0.497 1.000 0.600 CB 1.386 16 residues pruned to eliminate duplicates Z: 25 29.624 2.024 0.961 0.899 0.958 0.583 CB 1.137 25 residues pruned to eliminate duplicates Z: 15 22.856 2.002 0.483 0.883 1.000 0.857 CB 1.488 15 residues pruned to eliminate duplicates Z: 26 21.727 1.909 0.371 0.893 1.000 0.840 CB 1.191 26 residues pruned to eliminate duplicates Z: 12 26.083 1.953 1.207 0.873 1.000 0.909 CA 1.329 12 residues pruned to eliminate duplicates Z: 27 28.997 2.042 0.704 0.873 0.962 0.885 CB 1.238 27 residues pruned to eliminate duplicates Z: 15 21.702 2.001 0.759 0.848 0.929 0.857 CA 1.316 15 residues pruned to eliminate duplicates Z: 25 18.345 1.918 0.486 0.698 0.917 0.708 CB 1.196 23 residues pruned to eliminate duplicates Z: 27 25.417 1.935 0.681 0.876 0.962 0.769 CB 1.158 27 residues pruned to eliminate duplicates Z: 15 20.450 1.954 0.886 0.847 0.786 0.429 CB 1.402 15 residues pruned to eliminate duplicates Z: 27 25.769 1.947 0.653 0.890 0.962 0.769 CB 1.175 27 residues pruned to eliminate duplicates Z: 14 24.337 1.954 1.544 0.900 0.923 0.692 CB 1.050 14 residues pruned to eliminate duplicates Z: 9 7.702 1.623 0.369 0.838 1.000 0.875 CB 0.915 9 residues pruned to eliminate duplicates Z: 54 42.646 1.981 0.924 0.677 0.962 0.698 CA 1.357 56 residues pruned to eliminate duplicates Z: 27 30.771 2.057 0.859 0.910 0.923 0.615 CB 1.212 27 residues pruned to eliminate duplicates Z: 15 26.687 1.890 1.465 0.904 0.929 0.714 CB 1.174 16 residues pruned to eliminate duplicates Z: 27 20.824 1.919 0.452 0.865 0.962 0.846 CB 1.117 27 residues pruned to eliminate duplicates Z: 20 27.842 1.955 0.897 0.894 0.947 0.737 CA 1.305 20 residues pruned to eliminate duplicates Z: 13 34.200 2.259 1.107 0.922 1.000 0.917 CB 1.458 14 residues pruned to eliminate duplicates Z: 20 48.934 2.270 1.318 0.872 0.947 0.895 CB 1.642 20 residues pruned to eliminate duplicates Z: 40 33.908 2.113 0.852 0.578 0.897 0.692 CB 1.435 40 residues pruned to eliminate duplicates Z: 10 14.568 1.923 0.247 0.880 1.000 0.556 CB 1.467 10 residues pruned to eliminate duplicates Z: 13 19.497 1.860 0.585 0.889 1.000 0.667 CB 1.375 13 residues pruned to eliminate duplicates Z: 13 11.014 1.685 0.510 0.798 0.833 0.667 CB 1.155 13 residues pruned to eliminate duplicates Z: 9 3.188 1.481 0.499 0.220 0.750 0.250 CB 0.940 Z: 13 26.177 2.027 1.183 0.850 0.917 0.417 CB 1.380 13 residues pruned to eliminate duplicates Z: 13 20.251 1.821 0.763 0.877 1.000 0.833 CB 1.323 14 residues pruned to eliminate duplicates Z: 17 33.236 2.113 1.097 0.923 0.875 0.375 CB 1.507 17 residues pruned to eliminate duplicates Z: 12 22.837 1.905 0.897 0.912 1.000 0.273 CB 1.350 11 residues pruned to eliminate duplicates Z: 56 29.365 1.859 0.857 0.593 0.873 0.545 CB 1.203 50 residues pruned to eliminate duplicates Z: 27 32.897 2.076 0.734 0.889 1.000 0.692 CB 1.290 27 residues pruned to eliminate duplicates Z: 15 21.999 2.051 1.032 0.758 0.786 0.571 CB 1.427 15 residues pruned to eliminate duplicates Z: 13 16.322 1.815 0.459 0.900 1.000 0.750 CB 1.271 13 residues pruned to eliminate duplicates Z: 13 30.854 2.035 1.507 0.928 1.000 0.917 CB 1.223 13 residues pruned to eliminate duplicates Z: 25 27.321 2.033 0.699 0.913 0.958 0.875 CB 1.192 25 residues pruned to eliminate duplicates Z: 26 27.431 2.096 0.421 0.917 1.000 0.920 CB 1.299 26 residues pruned to eliminate duplicates Z: 7 7.392 1.420 0.836 0.905 1.000 0.833 CB 0.824 Z: 35 31.676 2.015 0.641 0.657 1.000 0.735 CB 1.420 35 residues pruned to eliminate duplicates Z: 23 49.198 2.247 1.263 0.908 1.000 0.591 CB 1.466 23 residues pruned to eliminate duplicates Z: 11 13.488 1.801 0.573 0.853 0.900 0.800 CB 1.237 11 residues pruned to eliminate duplicates Z: 25 27.940 2.019 0.767 0.917 0.917 0.708 CB 1.231 25 residues pruned to eliminate duplicates Z: 19 33.036 1.978 0.995 0.894 1.000 0.889 CA 1.415 19 residues pruned to eliminate duplicates Z: 6 3.685 1.545 0.272 0.810 0.800 0.800 CB 0.800 Z: 14 21.719 1.981 1.369 0.910 0.846 0.538 CB 1.076 14 residues pruned to eliminate duplicates Z: 22 53.547 2.298 1.256 0.942 1.000 0.714 CB 1.563 22 residues pruned to eliminate duplicates Z: 18 34.936 1.985 1.102 0.923 0.941 0.529 CB 1.516 18 residues pruned to eliminate duplicates Z: 7 12.342 1.773 0.440 0.743 1.000 0.833 O 1.587 7 residues pruned to eliminate duplicates Z: 51 24.998 1.910 0.715 0.514 0.900 0.480 CB 1.182 53 residues pruned to eliminate duplicates Z: 24 25.849 2.077 0.538 0.888 0.957 0.870 CA 1.271 24 residues pruned to eliminate duplicates Z: 6 10.923 1.962 0.793 0.724 0.800 0.400 CB 1.418 6 residues pruned to eliminate duplicates Z: 13 17.054 1.842 0.609 0.852 0.917 0.667 CB 1.339 13 residues pruned to eliminate duplicates Z: 18 44.979 2.168 1.327 0.913 1.000 0.941 CA 1.530 18 residues pruned to eliminate duplicates Z: 16 28.459 1.846 1.390 0.884 1.000 0.400 CB 1.203 16 residues pruned to eliminate duplicates Z: 10 3.904 1.589 0.455 0.334 0.556 0.444 CB 1.215 Z: 24 42.349 2.249 0.857 0.935 1.000 0.870 CA 1.473 24 residues pruned to eliminate duplicates Z: 12 26.702 2.004 1.135 0.917 1.000 0.545 CB 1.327 12 residues pruned to eliminate duplicates Z: 21 43.022 2.075 1.248 0.942 1.000 0.550 CB 1.430 21 residues pruned to eliminate duplicates Z: 6 4.509 1.784 -0.148 0.781 1.000 0.600 CB 1.035 5 residues pruned to eliminate duplicates Z: 29 25.039 1.966 0.871 0.573 0.929 0.607 CB 1.291 29 residues pruned to eliminate duplicates Z: 8 8.844 1.629 0.737 0.652 0.857 0.429 CB 1.197 8 residues pruned to eliminate duplicates Z: 54 53.646 2.117 1.149 0.679 0.962 0.717 CB 1.427 54 residues pruned to eliminate duplicates Z: 10 15.312 1.842 0.457 0.881 1.000 0.667 CB 1.377 10 residues pruned to eliminate duplicates Z: 10 17.162 1.863 0.603 0.898 1.000 0.556 CB 1.370 11 residues pruned to eliminate duplicates Z: 42 26.233 1.872 0.876 0.537 0.902 0.585 CB 1.246 36 residues pruned to eliminate duplicates Z: 14 12.616 1.612 0.643 0.873 0.923 0.846 CB 1.042 14 residues pruned to eliminate duplicates Z: 6 8.414 1.773 0.642 0.594 0.800 0.800 CA 1.477 6 residues pruned to eliminate duplicates Z: 21 38.784 2.046 1.315 0.924 0.900 0.500 CB 1.429 21 residues pruned to eliminate duplicates Z: 27 23.292 1.942 0.508 0.896 1.000 0.692 CB 1.117 27 residues pruned to eliminate duplicates Z: 16 17.556 1.651 0.900 0.850 0.867 0.600 CB 1.235 15 residues pruned to eliminate duplicates Z: 12 14.696 1.682 0.627 0.803 1.000 0.818 CB 1.243 12 residues pruned to eliminate duplicates Z: 80 47.980 2.001 0.846 0.632 0.924 0.671 CB 1.397 80 residues pruned to eliminate duplicates Z: 13 14.123 1.590 0.646 0.790 1.000 0.750 CB 1.207 13 residues pruned to eliminate duplicates Z: 9 18.835 1.822 0.868 0.916 1.000 0.500 CB 1.383 9 residues pruned to eliminate duplicates Z: 32 20.977 1.955 0.446 0.751 0.903 0.774 CB 1.179 32 residues pruned to eliminate duplicates Z: 15 21.034 1.932 0.702 0.893 0.929 0.429 CB 1.321 15 residues pruned to eliminate duplicates Z: 6 2.346 1.455 0.721 0.295 0.600 0.400 CB 0.878 Z: 36 27.149 2.062 0.564 0.725 0.943 0.771 CB 1.232 29 residues pruned to eliminate duplicates Z: 26 35.599 2.110 0.998 0.909 0.920 0.520 CB 1.303 26 residues pruned to eliminate duplicates Z: 12 11.970 1.710 0.358 0.852 1.000 0.909 CB 1.150 12 residues pruned to eliminate duplicates Z: 11 22.947 2.029 0.933 0.916 1.000 0.900 CB 1.307 11 residues pruned to eliminate duplicates Z: 16 21.080 1.884 0.648 0.877 0.933 0.733 CB 1.364 16 residues pruned to eliminate duplicates Z: 35 32.121 2.056 0.971 0.737 0.882 0.500 CB 1.246 35 residues pruned to eliminate duplicates Z: 20 16.899 1.703 0.763 0.661 0.947 0.789 CB 1.174 20 residues pruned to eliminate duplicates Z: 8 3.720 1.685 0.179 0.464 0.857 0.714 CB 0.857 Z: 35 28.825 1.958 0.734 0.757 0.971 0.588 CB 1.193 32 residues pruned to eliminate duplicates Z: 30 19.351 1.701 0.745 0.619 0.862 0.621 CB 1.254 24 residues pruned to eliminate duplicates Z: 16 23.469 1.950 1.204 0.909 0.933 0.800 CA 1.072 16 residues pruned to eliminate duplicates Z: 32 28.298 2.033 1.016 0.573 0.871 0.548 CB 1.326 32 residues pruned to eliminate duplicates Z: 17 15.010 1.959 0.748 0.649 0.812 0.750 CB 1.174 17 residues pruned to eliminate duplicates Z: 11 13.509 1.661 0.893 0.928 0.900 0.300 CB 1.057 11 residues pruned to eliminate duplicates Z: 14 27.985 1.983 1.342 0.913 1.000 0.615 CB 1.183 14 residues pruned to eliminate duplicates Z: 11 9.365 1.864 0.723 0.433 0.800 0.600 CB 1.236 11 residues pruned to eliminate duplicates Z: 34 29.280 2.028 0.771 0.655 0.970 0.697 CB 1.267 34 residues pruned to eliminate duplicates Z: 11 11.888 1.803 0.272 0.898 1.000 0.500 CB 1.173 11 residues pruned to eliminate duplicates Z: 21 12.904 1.897 0.027 0.788 0.950 0.800 CB 1.211 21 residues pruned to eliminate duplicates Z: 15 11.122 1.570 0.317 0.858 1.000 0.786 CB 1.059 15 residues pruned to eliminate duplicates Z: 6 3.611 1.795 0.449 0.357 1.000 0.600 CB 0.724 6 residues pruned to eliminate duplicates Z: 15 27.013 1.875 1.174 0.901 1.000 0.429 CB 1.264 15 residues pruned to eliminate duplicates Z: 12 23.889 1.991 1.020 0.910 1.000 0.545 CB 1.270 12 residues pruned to eliminate duplicates Z: 16 24.194 1.827 1.051 0.926 1.000 0.533 CA 1.169 16 residues pruned to eliminate duplicates Z: 35 28.105 1.995 0.911 0.529 0.941 0.529 CB 1.305 35 residues pruned to eliminate duplicates Z: 25 26.163 2.001 0.555 0.921 1.000 0.917 CB 1.208 25 residues pruned to eliminate duplicates Z: 26 19.532 1.926 0.320 0.873 0.960 0.840 CB 1.166 26 residues pruned to eliminate duplicates Z: 8 11.001 1.631 1.139 0.683 0.857 0.571 CA 1.175 8 residues pruned to eliminate duplicates Z: 14 36.293 2.191 1.134 0.856 1.000 0.615 CA 1.587 14 residues pruned to eliminate duplicates Z: 13 21.539 1.870 0.869 0.916 0.917 0.667 CB 1.371 13 residues pruned to eliminate duplicates Z: 36 33.071 2.001 0.866 0.770 0.971 0.457 CB 1.214 35 residues pruned to eliminate duplicates Z: 10 11.391 1.772 0.297 0.900 1.000 0.889 CB 1.180 10 residues pruned to eliminate duplicates Z: 8 5.912 1.710 0.627 0.533 0.714 0.571 CA 1.088 8 residues pruned to eliminate duplicates Z: 20 21.471 2.001 0.341 0.933 1.000 0.895 CB 1.282 20 residues pruned to eliminate duplicates Z: 6 3.541 1.466 0.035 0.588 1.000 0.600 CB 0.959 5 residues pruned to eliminate duplicates Z: 16 9.830 1.443 0.534 0.603 0.933 0.467 CB 1.113 13 residues pruned to eliminate duplicates Z: 13 21.293 1.749 1.233 0.820 1.000 0.667 CA 1.192 13 residues pruned to eliminate duplicates Z: 7 8.605 1.579 0.733 0.550 1.000 1.000 CB 1.223 Z: 11 10.882 1.714 0.284 0.853 1.000 0.800 CB 1.155 11 residues pruned to eliminate duplicates Z: 12 16.143 1.777 0.703 0.843 0.909 0.818 CA 1.317 12 residues pruned to eliminate duplicates Z: 9 12.296 1.603 0.650 0.901 1.000 0.875 CB 1.174 6 residues pruned to eliminate duplicates Z: 14 10.181 1.614 0.363 0.894 1.000 0.923 CB 0.921 14 residues pruned to eliminate duplicates Z: 43 43.241 2.122 0.973 0.616 0.952 0.690 CB 1.500 43 residues pruned to eliminate duplicates Z: 10 9.463 1.583 0.272 0.913 1.000 1.000 CB 1.108 10 residues pruned to eliminate duplicates Z: 13 12.292 1.595 0.512 0.763 1.000 0.667 CB 1.165 13 residues pruned to eliminate duplicates Z: 14 29.762 2.026 1.376 0.920 1.000 0.923 CA 1.208 14 residues pruned to eliminate duplicates Z: 10 13.395 1.792 0.455 0.856 0.889 0.556 CA 1.420 10 residues pruned to eliminate duplicates Z: 10 9.787 1.603 0.282 0.912 1.000 0.556 CB 1.124 9 residues pruned to eliminate duplicates Z: 11 13.845 1.743 0.928 0.895 0.900 0.300 CB 1.037 11 residues pruned to eliminate duplicates Z: 14 31.018 2.066 1.376 0.927 0.923 0.846 CA 1.330 14 residues pruned to eliminate duplicates Z: 15 5.493 1.746 0.407 0.324 0.571 0.286 N 1.270 15 residues pruned to eliminate duplicates Z: 26 25.992 1.961 0.854 0.874 0.880 0.760 CB 1.183 26 residues pruned to eliminate duplicates Z: 40 23.168 1.878 0.498 0.678 0.974 0.744 CB 1.149 41 residues pruned to eliminate duplicates Z: 12 4.758 1.722 0.412 0.153 0.818 0.545 CB 1.105 13 residues pruned to eliminate duplicates Z: 11 5.870 1.400 0.305 0.530 1.000 0.700 CB 0.986 11 residues pruned to eliminate duplicates Z: 47 30.647 1.909 0.913 0.559 0.913 0.543 CB 1.280 47 residues pruned to eliminate duplicates Z: 26 35.401 2.165 0.760 0.915 1.000 0.800 CB 1.313 26 residues pruned to eliminate duplicates Z: 18 36.237 2.154 1.430 0.883 1.000 0.412 CB 1.214 18 residues pruned to eliminate duplicates Z: 17 9.410 1.922 0.789 0.218 0.812 0.312 CB 1.172 17 residues pruned to eliminate duplicates Z: 25 24.829 2.005 0.645 0.909 0.958 0.625 CB 1.138 25 residues pruned to eliminate duplicates Z: 7 5.990 1.594 0.128 0.891 1.000 0.833 CB 0.978 7 residues pruned to eliminate duplicates Z: 74 61.607 2.138 1.016 0.684 0.959 0.726 CB 1.473 74 residues pruned to eliminate duplicates Z: 49 48.644 2.024 0.962 0.800 1.000 0.833 CB 1.360 52 residues pruned to eliminate duplicates Z: 8 7.033 1.626 0.825 0.379 0.857 0.429 CB 1.189 7 residues pruned to eliminate duplicates Z: 13 16.779 1.831 0.628 0.867 1.000 0.750 CB 1.188 13 residues pruned to eliminate duplicates Z: 12 22.943 1.946 0.774 0.916 1.000 1.000 CA 1.416 12 residues pruned to eliminate duplicates Z: 27 23.454 1.945 0.648 0.871 0.962 0.731 CB 1.088 27 residues pruned to eliminate duplicates Z: 10 13.413 1.863 0.461 0.883 0.889 0.556 CB 1.336 10 residues pruned to eliminate duplicates Z: 55 28.025 1.929 0.796 0.499 0.907 0.444 CB 1.214 55 residues pruned to eliminate duplicates Z: 20 39.653 2.234 1.130 0.773 0.947 0.789 CA 1.585 17 residues pruned to eliminate duplicates Z: 16 28.976 1.938 1.183 0.898 0.933 0.667 CB 1.355 16 residues pruned to eliminate duplicates Z: 16 31.926 2.023 1.076 0.754 1.000 0.667 CA 1.565 16 residues pruned to eliminate duplicates Z: 12 11.559 1.763 0.845 0.501 0.818 0.636 CB 1.309 12 residues pruned to eliminate duplicates Z: 14 11.014 1.547 0.602 0.838 1.000 0.769 CB 0.921 14 residues pruned to eliminate duplicates Z: 14 34.978 2.098 1.385 0.926 1.000 0.769 CB 1.359 14 residues pruned to eliminate duplicates Z: 6 2.081 1.426 -0.067 0.299 0.800 0.600 CB 1.095 Z: 16 19.992 2.106 0.353 0.876 1.000 0.800 CB 1.316 16 residues pruned to eliminate duplicates Z: 13 26.577 2.139 1.150 0.861 0.917 0.750 CB 1.337 13 residues pruned to eliminate duplicates Z: 11 13.677 1.715 0.666 0.872 1.000 0.500 CB 1.103 11 residues pruned to eliminate duplicates Z: 37 24.957 1.960 0.441 0.753 0.944 0.778 CB 1.244 37 residues pruned to eliminate duplicates Z: 8 7.498 1.617 0.119 0.901 1.000 1.000 CB 1.117 8 residues pruned to eliminate duplicates Z: 10 5.952 1.581 0.721 0.825 0.556 0.222 CA 0.991 10 residues pruned to eliminate duplicates Z: 44 33.938 1.961 0.776 0.627 0.977 0.674 CB 1.350 37 residues pruned to eliminate duplicates Z: 45 30.715 1.920 0.845 0.612 0.909 0.568 CB 1.293 45 residues pruned to eliminate duplicates Z: 27 18.390 1.852 0.713 0.511 0.885 0.692 CB 1.272 27 residues pruned to eliminate duplicates Z: 35 20.006 1.663 0.723 0.616 0.912 0.618 CB 1.177 36 residues pruned to eliminate duplicates Z: 10 11.666 1.728 0.218 0.862 1.000 0.667 CB 1.356 10 residues pruned to eliminate duplicates 7 1.936 1.306 0.419 0.334 0.500 0.333 N 1.023 ? Z: 7 2.217 1.222 0.292 0.292 0.833 0.333 CB 0.868 Z: 6 3.996 1.463 0.389 0.444 0.800 0.400 C 1.164 7 1.164 1.257 0.134 0.364 0.500 0.500 C 0.772 ? Z: 6 4.362 1.499 0.439 0.864 1.000 1.000 CB 0.663 Z: 14 6.981 1.798 0.528 0.375 0.769 0.538 CB 1.048 14 residues pruned to eliminate duplicates 6 1.566 1.498 -0.194 0.295 0.800 0.600 CB 0.912 ? Z: 10 9.224 1.580 0.384 0.917 1.000 0.778 CB 0.992 10 residues pruned to eliminate duplicates Z: 11 8.091 1.856 0.578 0.280 0.800 0.500 CA 1.401 11 residues pruned to eliminate duplicates Z: 13 23.254 1.838 0.961 0.914 1.000 0.583 CB 1.318 13 residues pruned to eliminate duplicates Z: 16 23.850 1.930 1.320 0.824 0.867 0.600 CA 1.198 16 residues pruned to eliminate duplicates Z: 35 34.302 1.940 0.991 0.786 1.000 0.794 CB 1.184 35 residues pruned to eliminate duplicates Z: 10 7.320 1.406 0.329 0.911 1.000 0.889 CB 0.925 11 residues pruned to eliminate duplicates Z: 26 18.666 1.883 0.423 0.875 0.920 0.760 CB 1.102 26 residues pruned to eliminate duplicates Z: 13 20.403 1.865 0.643 0.914 1.000 0.833 CA 1.360 13 residues pruned to eliminate duplicates Z: 10 14.234 1.844 0.681 0.871 0.889 0.444 CB 1.256 10 residues pruned to eliminate duplicates Z: 11 5.490 1.544 0.252 0.337 1.000 0.600 CB 1.073 5 residues pruned to eliminate duplicates Z: 19 13.817 1.790 0.749 0.472 0.944 0.556 CB 1.133 19 residues pruned to eliminate duplicates Z: 10 18.382 2.215 0.429 0.693 1.000 0.889 CB 1.622 10 residues pruned to eliminate duplicates Z: 6 4.649 1.491 0.133 0.828 1.000 0.800 CB 0.926 6 residues pruned to eliminate duplicates Z: 20 19.343 1.898 0.564 0.796 0.947 0.579 CB 1.217 20 residues pruned to eliminate duplicates Z: 11 10.459 1.650 0.546 0.686 0.900 0.700 CB 1.215 11 residues pruned to eliminate duplicates Z: 78 44.076 1.952 0.855 0.663 0.935 0.688 CB 1.276 83 residues pruned to eliminate duplicates Z: 7 4.097 1.563 0.177 0.379 0.833 0.667 CB 1.241 7 residues pruned to eliminate duplicates Z: 25 23.765 1.815 0.919 0.731 0.917 0.792 CB 1.235 25 residues pruned to eliminate duplicates Z: 40 29.243 1.950 1.078 0.556 0.795 0.462 CB 1.377 40 residues pruned to eliminate duplicates Z: 28 19.023 1.725 0.645 0.590 0.926 0.630 CB 1.278 38 residues pruned to eliminate duplicates Z: 13 17.509 1.796 0.688 0.786 0.917 0.583 CA 1.414 13 residues pruned to eliminate duplicates 406 residues left after pruning, divided into chains as follows: A: 11 B: 12 C: 21 D: 55 E: 10 F: 32 G: 66 H: 10 I: 45 J: 99 K: 45 CC for partial structure against native data = 40.46 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.479, Connect. = 0.740 for dens.mod. cycle 1 = 0.300, Contrast = 0.565, Connect. = 0.769 for dens.mod. cycle 2 = 0.300, Contrast = 0.672, Connect. = 0.795 for dens.mod. cycle 3 = 0.300, Contrast = 0.686, Connect. = 0.798 for dens.mod. cycle 4 = 0.300, Contrast = 0.699, Connect. = 0.800 for dens.mod. cycle 5 = 0.300, Contrast = 0.704, Connect. = 0.802 for dens.mod. cycle 6 = 0.300, Contrast = 0.710, Connect. = 0.803 for dens.mod. cycle 7 = 0.300, Contrast = 0.711, Connect. = 0.804 for dens.mod. cycle 8 = 0.300, Contrast = 0.714, Connect. = 0.805 for dens.mod. cycle 9 = 0.300, Contrast = 0.714, Connect. = 0.805 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2879 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 567 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 15 29.452 2.192 0.760 0.829 1.000 0.714 CA 1.535 B: 20 46.344 2.188 1.210 0.870 1.000 0.632 CB 1.605 C: 19 42.713 2.267 1.269 0.867 0.889 0.500 CB 1.610 20 residues pruned to eliminate duplicates D: 19 45.256 2.213 1.200 0.895 0.944 0.778 CA 1.663 19 residues pruned to eliminate duplicates E: 25 45.255 2.311 1.028 0.872 0.917 0.750 CB 1.567 F: 23 58.988 2.386 1.260 0.946 1.000 0.636 CB 1.612 24 residues pruned to eliminate duplicates G: 14 31.822 2.232 1.285 0.828 0.923 0.769 CB 1.411 H: 24 55.145 2.375 0.984 0.944 1.000 0.870 CB 1.690 24 residues pruned to eliminate duplicates I: 16 23.723 2.040 0.811 0.811 0.933 0.733 CA 1.354 16 residues pruned to eliminate duplicates J: 26 40.269 2.196 0.850 0.919 0.960 0.520 CB 1.455 K: 23 39.231 2.249 0.958 0.886 0.955 0.455 CB 1.436 23 residues pruned to eliminate duplicates L: 24 50.147 2.341 0.942 0.937 1.000 0.783 CB 1.601 24 residues pruned to eliminate duplicates M: 13 33.271 2.317 1.045 0.867 1.000 0.583 CB 1.482 14 residues pruned to eliminate duplicates N: 18 58.163 2.345 1.441 0.936 1.000 0.824 CB 1.716 19 residues pruned to eliminate duplicates O: 21 38.958 2.170 0.816 0.939 1.000 0.700 CB 1.536 P: 25 59.414 2.300 1.351 0.942 1.000 0.458 CB 1.556 24 residues pruned to eliminate duplicates Q: 14 33.020 2.261 1.021 0.778 0.923 0.615 CA 1.699 14 residues pruned to eliminate duplicates R: 15 50.489 2.286 1.233 0.928 1.000 0.500 CB 1.851 S: 26 36.315 2.231 0.582 0.916 0.960 0.800 CB 1.513 26 residues pruned to eliminate duplicates T: 24 48.719 2.351 0.840 0.942 1.000 0.870 CB 1.628 24 residues pruned to eliminate duplicates U: 15 24.847 1.950 0.995 0.889 1.000 0.786 CA 1.229 V: 17 25.259 2.005 0.722 0.780 0.938 0.625 CB 1.525 17 residues pruned to eliminate duplicates W: 19 48.683 2.231 1.348 0.912 1.000 0.611 CB 1.552 19 residues pruned to eliminate duplicates X: 14 20.607 2.106 0.466 0.634 1.000 0.692 CB 1.632 Y: 28 34.361 2.138 0.581 0.899 0.963 0.815 CB 1.452 28 residues pruned to eliminate duplicates Z: 15 24.614 2.094 0.844 0.862 0.929 0.643 CB 1.347 15 residues pruned to eliminate duplicates Z: 15 23.465 2.144 0.835 0.771 0.929 0.643 CB 1.350 15 residues pruned to eliminate duplicates Z: 16 24.861 2.010 0.810 0.805 1.000 0.867 CA 1.352 16 residues pruned to eliminate duplicates Z: 14 28.407 2.170 1.215 0.892 0.923 0.846 CA 1.275 Z: 13 32.232 2.350 0.847 0.910 1.000 0.750 CB 1.521 13 residues pruned to eliminate duplicates Z: 24 46.230 2.324 1.125 0.891 0.957 0.565 CB 1.467 24 residues pruned to eliminate duplicates Z: 24 56.284 2.332 1.196 0.943 1.000 0.522 CB 1.588 24 residues pruned to eliminate duplicates Z: 26 34.902 2.196 0.586 0.920 0.960 0.760 CB 1.470 26 residues pruned to eliminate duplicates Z: 14 35.424 2.219 1.234 0.863 0.846 0.615 CA 1.718 14 residues pruned to eliminate duplicates Z: 23 63.227 2.405 1.372 0.918 1.000 0.364 CB 1.666 24 residues pruned to eliminate duplicates Z: 14 28.516 2.176 0.663 0.923 1.000 0.769 CA 1.536 14 residues pruned to eliminate duplicates Z: 11 24.081 2.124 0.781 0.909 1.000 0.800 CB 1.429 Z: 20 45.325 2.185 1.246 0.929 0.947 0.368 CB 1.565 21 residues pruned to eliminate duplicates Z: 26 35.749 2.166 0.560 0.917 1.000 0.720 CB 1.493 26 residues pruned to eliminate duplicates Z: 25 51.253 2.269 1.060 0.941 1.000 0.833 CA 1.553 25 residues pruned to eliminate duplicates Z: 18 56.859 2.376 1.393 0.905 1.000 0.882 CB 1.727 18 residues pruned to eliminate duplicates Z: 24 41.924 2.308 0.724 0.927 0.957 0.739 CB 1.610 24 residues pruned to eliminate duplicates Z: 17 40.352 2.231 0.978 0.929 1.000 1.000 CA 1.599 17 residues pruned to eliminate duplicates Z: 20 33.067 2.184 0.622 0.905 0.947 0.684 CB 1.609 20 residues pruned to eliminate duplicates Z: 13 20.797 1.925 0.626 0.887 1.000 0.917 CB 1.382 Z: 29 24.974 2.082 0.560 0.507 0.857 0.679 CA 1.683 29 residues pruned to eliminate duplicates Z: 19 48.686 2.234 1.462 0.934 0.944 0.500 CA 1.541 18 residues pruned to eliminate duplicates Z: 20 48.232 2.194 1.243 0.915 1.000 0.579 CB 1.589 20 residues pruned to eliminate duplicates Z: 18 44.957 2.121 1.225 0.945 1.000 0.647 CB 1.599 18 residues pruned to eliminate duplicates Z: 19 46.620 2.228 1.372 0.860 0.944 0.667 CB 1.619 20 residues pruned to eliminate duplicates Z: 12 19.018 2.031 0.654 0.912 1.000 1.000 CB 1.209 11 residues pruned to eliminate duplicates Z: 20 43.661 2.190 0.982 0.925 1.000 0.632 CA 1.619 20 residues pruned to eliminate duplicates Z: 18 42.329 2.131 1.136 0.937 1.000 0.882 CA 1.570 18 residues pruned to eliminate duplicates Z: 18 51.463 2.307 1.274 0.935 1.000 0.647 CB 1.658 18 residues pruned to eliminate duplicates Z: 20 49.427 2.324 1.206 0.891 1.000 0.632 CA 1.590 20 residues pruned to eliminate duplicates Z: 12 26.360 2.189 0.919 0.877 0.909 0.727 CB 1.511 12 residues pruned to eliminate duplicates Z: 21 39.148 2.117 1.005 0.848 1.000 0.900 CA 1.530 17 residues pruned to eliminate duplicates Z: 20 36.581 2.303 0.807 0.901 0.947 0.579 CB 1.519 20 residues pruned to eliminate duplicates Z: 18 42.527 2.125 1.215 0.921 0.941 0.588 CA 1.639 18 residues pruned to eliminate duplicates Z: 15 33.080 2.197 0.850 0.867 1.000 0.643 CA 1.592 26 residues pruned to eliminate duplicates Z: 18 36.394 2.311 0.836 0.830 0.941 0.471 CA 1.661 18 residues pruned to eliminate duplicates Z: 20 15.299 1.887 0.660 0.466 0.895 0.579 CB 1.297 Z: 18 51.337 2.287 1.450 0.916 0.941 0.706 CB 1.668 18 residues pruned to eliminate duplicates Z: 16 28.257 1.933 1.117 0.875 1.000 0.867 CA 1.296 16 residues pruned to eliminate duplicates Z: 13 16.371 1.900 0.520 0.797 0.917 0.833 CB 1.376 13 residues pruned to eliminate duplicates Z: 26 37.133 2.230 0.697 0.914 0.960 0.840 CB 1.445 26 residues pruned to eliminate duplicates Z: 13 32.327 2.106 1.177 0.885 0.917 0.667 CA 1.603 13 residues pruned to eliminate duplicates Z: 16 21.386 1.941 0.821 0.847 0.933 0.800 CA 1.242 16 residues pruned to eliminate duplicates Z: 19 41.136 2.096 1.193 0.927 0.944 0.667 CA 1.565 19 residues pruned to eliminate duplicates Z: 17 42.368 2.257 1.034 0.922 0.938 0.812 CA 1.730 16 residues pruned to eliminate duplicates Z: 24 46.349 2.354 0.916 0.895 0.957 0.826 CB 1.605 24 residues pruned to eliminate duplicates Z: 26 36.020 2.227 0.570 0.918 1.000 0.920 CB 1.453 26 residues pruned to eliminate duplicates Z: 19 44.298 2.108 1.239 0.932 1.000 0.889 CA 1.545 21 residues pruned to eliminate duplicates Z: 58 57.178 2.241 0.797 0.710 0.947 0.825 CA 1.641 62 residues pruned to eliminate duplicates Z: 17 33.526 2.299 0.700 0.954 1.000 0.812 CB 1.474 17 residues pruned to eliminate duplicates Z: 17 29.424 2.383 0.431 0.937 1.000 0.938 CB 1.501 17 residues pruned to eliminate duplicates Z: 15 14.193 2.019 0.483 0.540 0.786 0.714 CB 1.550 15 residues pruned to eliminate duplicates Z: 17 50.073 2.269 1.236 0.939 1.000 1.000 CA 1.714 17 residues pruned to eliminate duplicates Z: 27 43.231 2.183 0.979 0.931 0.962 0.577 CB 1.426 27 residues pruned to eliminate duplicates Z: 16 26.147 2.084 1.085 0.893 0.933 0.733 CA 1.195 15 residues pruned to eliminate duplicates Z: 25 32.281 2.065 0.856 0.907 0.958 0.583 CB 1.275 Z: 53 30.624 2.052 0.728 0.520 0.885 0.558 CB 1.328 13 residues pruned to eliminate duplicates Z: 14 34.541 2.182 1.148 0.890 1.000 0.615 CB 1.470 14 residues pruned to eliminate duplicates Z: 26 41.686 2.230 0.884 0.932 0.960 0.640 CB 1.444 26 residues pruned to eliminate duplicates Z: 23 50.172 2.373 0.880 0.921 1.000 0.909 CB 1.688 23 residues pruned to eliminate duplicates Z: 27 41.699 2.165 1.037 0.894 0.962 0.615 CB 1.384 27 residues pruned to eliminate duplicates Z: 20 46.484 2.204 1.025 0.937 1.000 0.526 CA 1.663 20 residues pruned to eliminate duplicates Z: 24 56.952 2.350 1.252 0.941 1.000 0.652 CB 1.557 24 residues pruned to eliminate duplicates Z: 27 39.422 2.160 0.830 0.925 0.962 0.654 CB 1.427 27 residues pruned to eliminate duplicates Z: 14 19.442 2.068 0.417 0.597 1.000 0.692 CB 1.678 14 residues pruned to eliminate duplicates Z: 15 30.133 2.132 0.865 0.817 1.000 0.786 CA 1.538 15 residues pruned to eliminate duplicates Z: 18 38.214 2.131 1.282 0.848 0.882 0.588 CB 1.603 18 residues pruned to eliminate duplicates Z: 24 46.300 2.289 0.821 0.947 1.000 0.783 CA 1.600 24 residues pruned to eliminate duplicates Z: 12 23.142 2.036 0.773 0.901 1.000 0.727 CB 1.380 12 residues pruned to eliminate duplicates Z: 22 54.037 2.384 1.153 0.921 1.000 0.762 CA 1.617 22 residues pruned to eliminate duplicates Z: 17 40.660 2.239 0.964 0.912 1.000 0.938 CA 1.638 17 residues pruned to eliminate duplicates Z: 9 16.078 1.939 0.408 0.909 1.000 1.000 CB 1.478 Z: 14 20.297 2.105 0.306 0.930 0.923 0.846 CB 1.552 Z: 18 35.771 2.117 0.904 0.933 1.000 1.000 CA 1.501 18 residues pruned to eliminate duplicates Z: 15 35.454 2.143 1.265 0.843 0.929 0.429 CB 1.566 15 residues pruned to eliminate duplicates Z: 15 27.500 2.166 0.619 0.858 1.000 0.929 CA 1.543 15 residues pruned to eliminate duplicates Z: 12 29.978 2.107 1.173 0.856 1.000 0.909 CA 1.455 12 residues pruned to eliminate duplicates Z: 26 37.123 2.192 0.609 0.924 1.000 0.760 CB 1.478 26 residues pruned to eliminate duplicates Z: 26 28.397 2.035 0.579 0.909 0.960 0.720 CB 1.307 26 residues pruned to eliminate duplicates Z: 15 19.763 1.982 0.718 0.910 1.000 0.929 CA 1.100 15 residues pruned to eliminate duplicates Z: 19 40.802 2.209 1.090 0.919 0.944 0.556 CB 1.554 19 residues pruned to eliminate duplicates Z: 20 36.237 2.181 0.759 0.925 0.947 0.737 CA 1.606 20 residues pruned to eliminate duplicates Z: 11 15.364 2.063 0.741 0.480 1.000 0.600 CB 1.380 11 residues pruned to eliminate duplicates Z: 14 19.854 2.052 0.382 0.892 1.000 0.923 CA 1.395 13 residues pruned to eliminate duplicates Z: 14 40.734 2.226 1.389 0.923 1.000 0.692 CA 1.493 14 residues pruned to eliminate duplicates Z: 20 46.816 2.212 1.110 0.924 1.000 0.368 CB 1.616 20 residues pruned to eliminate duplicates Z: 19 40.899 2.100 1.211 0.941 0.944 0.722 CA 1.525 19 residues pruned to eliminate duplicates Z: 10 20.036 1.944 0.646 0.903 1.000 0.889 CB 1.487 9 residues pruned to eliminate duplicates Z: 45 37.315 2.082 0.950 0.626 0.909 0.455 CB 1.354 44 residues pruned to eliminate duplicates Z: 26 31.107 2.022 0.843 0.901 0.960 0.600 CB 1.241 25 residues pruned to eliminate duplicates Z: 26 43.719 2.233 0.943 0.932 0.960 0.560 CB 1.466 26 residues pruned to eliminate duplicates Z: 27 36.972 2.164 0.767 0.921 0.962 0.769 CB 1.387 27 residues pruned to eliminate duplicates Z: 12 18.120 1.908 0.615 0.842 1.000 0.727 CB 1.321 12 residues pruned to eliminate duplicates Z: 19 24.213 2.081 0.505 0.922 0.944 0.778 CB 1.357 19 residues pruned to eliminate duplicates Z: 26 30.575 2.181 0.472 0.901 0.920 0.800 CB 1.478 26 residues pruned to eliminate duplicates Z: 15 21.241 2.098 0.295 0.925 0.929 0.929 CB 1.579 15 residues pruned to eliminate duplicates Z: 16 29.314 2.073 1.107 0.912 1.000 0.733 CA 1.227 16 residues pruned to eliminate duplicates Z: 20 49.004 2.198 1.243 0.923 1.000 0.474 CB 1.603 20 residues pruned to eliminate duplicates Z: 15 17.878 2.015 0.309 0.895 0.929 0.929 CB 1.398 15 residues pruned to eliminate duplicates Z: 26 22.423 1.998 0.251 0.888 0.960 0.800 CB 1.347 26 residues pruned to eliminate duplicates Z: 18 40.722 2.155 1.010 0.927 1.000 0.941 CA 1.598 18 residues pruned to eliminate duplicates Z: 15 29.202 2.117 0.843 0.856 1.000 0.929 CB 1.475 15 residues pruned to eliminate duplicates Z: 15 29.128 2.115 0.779 0.878 0.929 0.643 CB 1.617 15 residues pruned to eliminate duplicates Z: 25 45.908 2.272 1.020 0.929 0.917 0.583 CB 1.559 25 residues pruned to eliminate duplicates Z: 15 32.669 2.155 1.209 0.805 0.929 0.643 CA 1.514 15 residues pruned to eliminate duplicates Z: 16 27.651 2.003 0.807 0.920 0.933 0.667 CB 1.489 16 residues pruned to eliminate duplicates Z: 14 32.100 2.185 1.192 0.934 1.000 0.846 CA 1.297 15 residues pruned to eliminate duplicates Z: 29 47.293 2.246 0.918 0.852 1.000 0.857 CB 1.535 29 residues pruned to eliminate duplicates Z: 15 14.241 1.928 0.504 0.482 0.786 0.571 CB 1.701 15 residues pruned to eliminate duplicates Z: 20 50.196 2.215 1.189 0.921 1.000 0.421 CB 1.671 20 residues pruned to eliminate duplicates Z: 11 13.328 1.848 0.383 0.849 0.900 0.700 CA 1.359 11 residues pruned to eliminate duplicates Z: 14 31.323 2.212 1.097 0.876 0.923 0.692 CB 1.474 14 residues pruned to eliminate duplicates Z: 16 17.759 1.929 0.188 0.893 0.933 0.867 CB 1.539 16 residues pruned to eliminate duplicates Z: 14 23.743 1.873 1.248 0.804 1.000 0.615 CB 1.199 14 residues pruned to eliminate duplicates Z: 15 23.699 2.065 0.698 0.910 0.929 0.714 CB 1.380 15 residues pruned to eliminate duplicates Z: 16 31.380 1.942 1.174 0.877 0.933 0.800 CB 1.493 15 residues pruned to eliminate duplicates Z: 14 22.466 1.973 0.605 0.846 1.000 0.846 CB 1.462 14 residues pruned to eliminate duplicates Z: 12 27.231 2.052 0.811 0.891 1.000 0.818 CB 1.588 13 residues pruned to eliminate duplicates Z: 20 30.626 2.154 0.472 0.928 1.000 0.895 CA 1.552 20 residues pruned to eliminate duplicates Z: 12 21.296 2.029 0.572 0.899 1.000 0.727 CA 1.439 13 residues pruned to eliminate duplicates Z: 27 27.163 1.996 0.581 0.890 0.923 0.731 CB 1.316 27 residues pruned to eliminate duplicates Z: 19 38.625 2.144 0.990 0.933 0.944 0.667 CA 1.577 19 residues pruned to eliminate duplicates Z: 13 23.489 2.018 0.587 0.893 1.000 1.000 CB 1.520 13 residues pruned to eliminate duplicates Z: 14 28.365 2.207 0.878 0.824 0.923 0.692 CA 1.554 14 residues pruned to eliminate duplicates Z: 16 21.336 1.966 0.507 0.834 0.933 0.733 CA 1.493 16 residues pruned to eliminate duplicates Z: 15 30.886 2.143 0.811 0.845 1.000 0.929 CA 1.582 15 residues pruned to eliminate duplicates Z: 14 24.115 2.134 0.672 0.910 0.923 0.846 CB 1.441 14 residues pruned to eliminate duplicates Z: 55 31.488 2.068 0.643 0.519 0.907 0.519 CB 1.365 56 residues pruned to eliminate duplicates Z: 6 2.786 1.704 -0.165 0.579 0.800 0.600 CB 1.014 Z: 14 32.817 2.236 1.036 0.896 0.923 0.692 CB 1.551 14 residues pruned to eliminate duplicates Z: 26 27.176 1.987 0.407 0.905 1.000 0.920 CB 1.383 26 residues pruned to eliminate duplicates Z: 23 41.244 2.315 0.690 0.926 1.000 0.818 CB 1.576 23 residues pruned to eliminate duplicates Z: 26 34.266 2.045 0.915 0.898 0.960 0.520 CB 1.304 26 residues pruned to eliminate duplicates Z: 18 52.905 2.369 1.253 0.920 1.000 0.882 CA 1.693 18 residues pruned to eliminate duplicates Z: 9 5.727 1.808 0.399 0.302 0.875 0.375 CB 1.140 Z: 15 27.260 2.014 0.639 0.917 1.000 0.929 CB 1.558 15 residues pruned to eliminate duplicates Z: 19 46.030 2.254 1.349 0.937 0.944 0.889 CA 1.510 19 residues pruned to eliminate duplicates Z: 25 27.752 2.089 0.548 0.919 0.958 0.750 CB 1.289 25 residues pruned to eliminate duplicates Z: 26 37.120 2.198 0.643 0.918 1.000 0.840 CB 1.450 26 residues pruned to eliminate duplicates Z: 16 27.557 2.041 0.808 0.895 0.933 0.867 CA 1.481 16 residues pruned to eliminate duplicates Z: 14 18.975 1.955 0.449 0.879 0.923 0.769 CB 1.459 14 residues pruned to eliminate duplicates Z: 20 28.022 1.979 1.018 0.808 0.947 0.579 CB 1.299 20 residues pruned to eliminate duplicates Z: 15 18.583 1.995 0.802 0.876 0.857 0.500 CB 1.171 15 residues pruned to eliminate duplicates Z: 26 33.907 2.033 0.909 0.919 0.960 0.640 CB 1.283 26 residues pruned to eliminate duplicates Z: 20 38.683 2.185 0.774 0.932 1.000 0.684 CA 1.599 20 residues pruned to eliminate duplicates Z: 19 42.868 2.263 1.257 0.915 0.944 0.778 CA 1.481 19 residues pruned to eliminate duplicates Z: 13 17.127 2.007 0.558 0.853 0.917 0.750 CB 1.275 13 residues pruned to eliminate duplicates Z: 26 21.810 1.909 0.242 0.893 1.000 0.840 CA 1.320 26 residues pruned to eliminate duplicates Z: 12 16.481 2.014 0.561 0.836 1.000 0.909 CA 1.183 Z: 27 32.172 2.183 0.493 0.906 0.923 0.846 CA 1.492 27 residues pruned to eliminate duplicates Z: 6 2.123 1.328 0.975 0.449 0.600 0.600 N 0.635 Z: 11 26.587 2.065 1.070 0.933 1.000 1.000 CB 1.372 12 residues pruned to eliminate duplicates Z: 14 33.625 2.179 1.156 0.922 1.000 0.846 CA 1.396 14 residues pruned to eliminate duplicates Z: 16 29.945 2.030 0.961 0.867 0.933 0.933 CA 1.523 16 residues pruned to eliminate duplicates Z: 26 33.671 2.165 0.486 0.934 1.000 0.920 CB 1.461 26 residues pruned to eliminate duplicates Z: 12 20.855 1.946 1.031 0.877 0.909 0.909 CA 1.271 12 residues pruned to eliminate duplicates Z: 15 34.102 2.149 1.125 0.874 0.929 0.571 CA 1.565 15 residues pruned to eliminate duplicates Z: 14 25.360 1.960 0.740 0.848 1.000 0.846 CA 1.529 12 residues pruned to eliminate duplicates Z: 16 24.769 2.007 0.715 0.872 0.933 0.867 CA 1.451 16 residues pruned to eliminate duplicates Z: 12 16.787 1.844 0.478 0.819 1.000 0.636 CB 1.408 12 residues pruned to eliminate duplicates Z: 16 39.662 2.199 1.238 0.935 0.933 0.467 CB 1.554 16 residues pruned to eliminate duplicates Z: 11 23.444 2.038 0.954 0.929 1.000 1.000 CB 1.303 11 residues pruned to eliminate duplicates Z: 15 30.369 2.135 1.213 0.873 0.857 0.500 CA 1.460 15 residues pruned to eliminate duplicates Z: 14 38.926 2.232 1.347 0.928 1.000 0.692 CA 1.443 14 residues pruned to eliminate duplicates Z: 57 58.563 2.259 0.929 0.672 0.964 0.696 CA 1.589 59 residues pruned to eliminate duplicates Z: 13 17.392 1.869 0.586 0.905 0.917 0.917 CA 1.315 Z: 15 29.260 2.144 1.202 0.886 0.929 0.786 CA 1.287 15 residues pruned to eliminate duplicates Z: 15 33.104 2.141 0.857 0.852 1.000 0.571 CA 1.646 15 residues pruned to eliminate duplicates Z: 12 16.440 1.849 0.668 0.857 1.000 0.909 CB 1.185 12 residues pruned to eliminate duplicates Z: 14 26.027 2.217 0.629 0.905 0.923 0.769 CB 1.542 14 residues pruned to eliminate duplicates Z: 27 38.721 2.185 0.605 0.934 1.000 0.962 CA 1.511 27 residues pruned to eliminate duplicates Z: 20 32.845 2.177 0.585 0.897 1.000 0.789 CA 1.563 20 residues pruned to eliminate duplicates Z: 25 38.599 2.075 0.972 0.920 1.000 0.750 CB 1.357 26 residues pruned to eliminate duplicates Z: 19 37.270 2.044 1.063 0.906 1.000 0.889 CA 1.482 19 residues pruned to eliminate duplicates Z: 7 10.659 1.814 0.322 0.898 1.000 1.000 CB 1.298 7 residues pruned to eliminate duplicates Z: 16 36.907 2.140 1.699 0.805 0.933 0.733 CB 1.354 16 residues pruned to eliminate duplicates Z: 20 19.816 2.016 0.266 0.910 0.947 0.842 CB 1.334 20 residues pruned to eliminate duplicates Z: 6 19.516 2.053 1.006 0.887 1.000 1.000 N 1.528 Z: 8 14.650 1.856 0.578 0.897 1.000 1.000 CB 1.354 8 residues pruned to eliminate duplicates Z: 13 19.301 1.863 0.691 0.900 1.000 0.833 CA 1.263 13 residues pruned to eliminate duplicates Z: 12 15.604 1.908 0.461 0.821 1.000 0.909 CB 1.278 12 residues pruned to eliminate duplicates Z: 7 11.360 2.221 0.800 0.288 1.000 0.333 CB 1.472 7 residues pruned to eliminate duplicates Z: 26 24.294 2.002 0.246 0.920 1.000 0.960 CB 1.373 26 residues pruned to eliminate duplicates Z: 13 20.105 1.879 0.691 0.903 1.000 0.833 CB 1.301 13 residues pruned to eliminate duplicates Z: 12 13.090 1.976 0.458 0.857 0.909 0.909 CA 1.110 11 residues pruned to eliminate duplicates Z: 27 32.740 2.002 0.974 0.918 0.962 0.615 CB 1.192 27 residues pruned to eliminate duplicates Z: 13 13.291 1.857 0.599 0.755 0.917 0.833 CA 1.124 13 residues pruned to eliminate duplicates Z: 25 47.531 2.263 0.996 0.903 0.958 0.542 CB 1.598 25 residues pruned to eliminate duplicates Z: 20 46.834 2.191 1.309 0.938 0.947 0.368 CB 1.559 20 residues pruned to eliminate duplicates Z: 10 9.899 1.822 0.628 0.560 0.889 0.778 CB 1.181 10 residues pruned to eliminate duplicates Z: 27 33.308 2.002 0.788 0.916 1.000 0.615 CB 1.289 26 residues pruned to eliminate duplicates Z: 16 22.135 1.895 0.918 0.836 0.933 0.733 CA 1.262 16 residues pruned to eliminate duplicates Z: 15 28.274 2.159 0.869 0.830 0.929 0.857 CA 1.516 15 residues pruned to eliminate duplicates Z: 42 37.019 2.137 0.770 0.563 0.927 0.659 CA 1.551 42 residues pruned to eliminate duplicates Z: 13 18.478 1.823 0.779 0.859 0.917 0.667 CA 1.320 13 residues pruned to eliminate duplicates Z: 15 22.502 1.933 1.108 0.865 0.857 0.500 CA 1.262 15 residues pruned to eliminate duplicates Z: 14 21.598 2.090 0.663 0.854 1.000 0.769 CB 1.272 14 residues pruned to eliminate duplicates Z: 26 27.433 1.987 0.516 0.893 0.960 0.720 CB 1.363 26 residues pruned to eliminate duplicates Z: 13 22.203 2.183 0.888 0.829 0.833 0.417 CB 1.404 13 residues pruned to eliminate duplicates Z: 15 29.538 2.040 1.129 0.883 1.000 0.786 CA 1.315 15 residues pruned to eliminate duplicates Z: 13 13.593 1.759 0.753 0.805 0.833 0.583 CB 1.171 13 residues pruned to eliminate duplicates Z: 28 46.754 2.290 1.147 0.607 1.000 0.667 CA 1.652 28 residues pruned to eliminate duplicates Z: 29 45.949 2.103 1.036 0.888 1.000 0.893 CA 1.461 31 residues pruned to eliminate duplicates Z: 13 19.739 1.879 0.640 0.914 1.000 0.667 CB 1.308 13 residues pruned to eliminate duplicates Z: 19 16.935 1.831 0.623 0.755 0.944 0.556 CB 1.134 19 residues pruned to eliminate duplicates Z: 26 29.873 2.014 0.691 0.885 1.000 0.880 CB 1.266 26 residues pruned to eliminate duplicates Z: 12 9.166 2.131 0.502 0.295 0.818 0.364 CB 1.328 12 residues pruned to eliminate duplicates Z: 26 41.401 2.217 0.999 0.928 0.920 0.600 CB 1.422 26 residues pruned to eliminate duplicates Z: 27 29.081 2.016 0.629 0.900 0.962 0.769 CB 1.290 27 residues pruned to eliminate duplicates Z: 23 33.225 2.138 0.819 0.709 0.955 0.773 CB 1.578 18 residues pruned to eliminate duplicates Z: 13 36.699 2.336 1.190 0.933 1.000 0.667 CB 1.445 13 residues pruned to eliminate duplicates Z: 26 21.385 1.807 0.969 0.816 0.880 0.600 CB 1.038 15 residues pruned to eliminate duplicates Z: 25 24.696 2.020 0.294 0.904 0.958 0.667 CB 1.434 25 residues pruned to eliminate duplicates Z: 14 24.908 2.033 1.035 0.905 0.923 0.846 CA 1.288 14 residues pruned to eliminate duplicates Z: 6 3.402 1.702 -0.142 0.646 0.800 0.800 CB 1.137 6 residues pruned to eliminate duplicates Z: 10 10.612 1.732 0.234 0.912 1.000 0.889 CB 1.172 Z: 14 19.659 1.783 0.720 0.886 1.000 0.692 CA 1.282 14 residues pruned to eliminate duplicates Z: 26 29.950 2.039 0.653 0.913 0.960 0.880 CB 1.310 26 residues pruned to eliminate duplicates Z: 25 25.343 2.067 0.304 0.914 1.000 0.917 CB 1.357 25 residues pruned to eliminate duplicates Z: 9 11.946 1.845 0.486 0.561 1.000 0.625 CA 1.451 9 residues pruned to eliminate duplicates Z: 15 15.651 1.746 0.799 0.696 0.929 0.571 CB 1.199 15 residues pruned to eliminate duplicates Z: 22 35.585 2.005 1.216 0.793 0.952 0.571 CB 1.419 22 residues pruned to eliminate duplicates Z: 12 5.146 1.808 0.045 0.244 0.909 0.455 CB 1.214 Z: 53 66.978 2.279 1.137 0.695 1.000 0.635 CA 1.596 53 residues pruned to eliminate duplicates Z: 14 36.344 2.204 1.312 0.935 1.000 0.769 CA 1.379 14 residues pruned to eliminate duplicates Z: 19 41.897 2.193 1.306 0.872 0.944 0.889 CA 1.508 19 residues pruned to eliminate duplicates Z: 14 13.999 1.733 0.649 0.861 0.923 0.846 CA 1.082 14 residues pruned to eliminate duplicates Z: 75 65.207 2.210 0.932 0.656 0.959 0.662 CB 1.600 70 residues pruned to eliminate duplicates Z: 70 61.017 2.213 0.861 0.696 0.957 0.696 CB 1.559 70 residues pruned to eliminate duplicates Z: 21 35.030 2.140 0.622 0.926 1.000 0.750 CB 1.583 20 residues pruned to eliminate duplicates Z: 14 20.204 2.099 1.072 0.856 0.769 0.538 CB 1.236 14 residues pruned to eliminate duplicates Z: 25 40.829 2.265 0.663 0.894 1.000 0.917 CB 1.587 25 residues pruned to eliminate duplicates Z: 11 19.583 1.944 0.611 0.847 1.000 0.600 CB 1.468 10 residues pruned to eliminate duplicates Z: 17 14.477 1.645 0.763 0.902 1.000 0.688 CB 0.890 17 residues pruned to eliminate duplicates Z: 16 28.171 2.105 1.048 0.890 0.933 0.667 CA 1.300 16 residues pruned to eliminate duplicates Z: 17 11.853 1.834 -0.026 0.788 0.938 0.812 CA 1.375 17 residues pruned to eliminate duplicates Z: 26 31.634 2.024 0.777 0.879 0.960 0.840 CB 1.329 26 residues pruned to eliminate duplicates Z: 28 27.475 2.111 0.833 0.579 0.889 0.593 CB 1.425 28 residues pruned to eliminate duplicates Z: 12 15.232 1.809 0.531 0.836 0.909 0.636 CA 1.365 12 residues pruned to eliminate duplicates 8 1.164 1.473 0.164 0.334 0.714 0.286 CB 0.431 ? Z: 42 39.402 2.201 0.858 0.552 0.927 0.659 CB 1.544 42 residues pruned to eliminate duplicates Z: 25 49.617 2.286 1.041 0.927 1.000 0.625 CB 1.522 25 residues pruned to eliminate duplicates Z: 12 11.104 2.108 0.547 0.317 0.909 0.364 CB 1.382 12 residues pruned to eliminate duplicates Z: 55 40.019 2.021 0.658 0.683 0.981 0.759 CA 1.400 50 residues pruned to eliminate duplicates Z: 6 5.561 1.861 0.518 0.745 0.800 0.600 CB 0.884 6 residues pruned to eliminate duplicates Z: 16 23.938 2.263 0.300 0.935 1.000 1.000 CA 1.464 16 residues pruned to eliminate duplicates Z: 7 5.744 1.824 0.581 0.654 0.667 0.500 CA 1.057 7 residues pruned to eliminate duplicates Z: 9 11.366 1.745 0.342 0.921 1.000 1.000 CB 1.208 10 residues pruned to eliminate duplicates Z: 10 8.589 1.703 0.233 0.868 1.000 0.667 CB 0.997 9 residues pruned to eliminate duplicates Z: 26 27.070 1.988 0.473 0.891 1.000 0.800 CB 1.329 26 residues pruned to eliminate duplicates Z: 26 30.141 2.136 0.897 0.576 0.840 0.640 CA 1.645 26 residues pruned to eliminate duplicates Z: 42 28.175 1.917 0.657 0.691 0.927 0.659 CB 1.255 38 residues pruned to eliminate duplicates Z: 16 13.909 1.729 0.642 0.862 0.933 0.733 CB 0.995 16 residues pruned to eliminate duplicates Z: 14 15.110 1.713 0.716 0.879 0.923 0.846 CB 1.120 14 residues pruned to eliminate duplicates Z: 29 20.424 1.975 0.379 0.603 0.929 0.750 CA 1.383 27 residues pruned to eliminate duplicates Z: 35 27.030 2.011 0.826 0.523 0.912 0.441 CB 1.354 35 residues pruned to eliminate duplicates Z: 14 20.063 1.972 0.799 0.836 0.846 0.615 CB 1.387 14 residues pruned to eliminate duplicates Z: 11 16.156 1.907 0.473 0.875 1.000 0.800 CB 1.323 11 residues pruned to eliminate duplicates Z: 33 37.351 2.125 0.878 0.778 0.938 0.562 CB 1.382 33 residues pruned to eliminate duplicates Z: 14 23.684 1.955 0.923 0.850 0.923 0.692 CB 1.401 14 residues pruned to eliminate duplicates Z: 12 23.113 1.927 0.878 0.914 1.000 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 16 14.687 1.726 0.735 0.887 0.933 0.800 CB 0.979 16 residues pruned to eliminate duplicates Z: 12 17.651 1.834 0.797 0.879 1.000 0.545 CB 1.171 12 residues pruned to eliminate duplicates Z: 25 25.502 2.025 0.379 0.904 1.000 0.875 CB 1.328 25 residues pruned to eliminate duplicates Z: 12 15.332 1.886 0.704 0.919 0.909 0.909 CA 1.115 12 residues pruned to eliminate duplicates Z: 26 25.714 1.994 0.339 0.892 1.000 0.960 CA 1.384 26 residues pruned to eliminate duplicates Z: 26 24.917 1.985 0.346 0.915 1.000 0.840 CB 1.318 26 residues pruned to eliminate duplicates Z: 7 4.067 1.510 0.461 0.303 0.833 0.500 N 1.125 7 residues pruned to eliminate duplicates Z: 13 18.728 1.837 0.820 0.881 0.917 0.500 CB 1.278 13 residues pruned to eliminate duplicates Z: 27 14.110 1.643 0.491 0.494 0.885 0.615 CB 1.284 27 residues pruned to eliminate duplicates Z: 13 30.242 2.267 0.946 0.878 0.917 0.583 CA 1.567 13 residues pruned to eliminate duplicates Z: 43 24.014 1.930 0.596 0.649 0.881 0.452 CB 1.189 43 residues pruned to eliminate duplicates Z: 16 21.431 1.875 1.038 0.849 0.933 0.467 CB 1.150 16 residues pruned to eliminate duplicates Z: 14 36.097 2.211 1.255 0.914 1.000 1.000 CA 1.421 14 residues pruned to eliminate duplicates Z: 10 15.956 2.066 0.701 0.525 1.000 0.778 CB 1.477 10 residues pruned to eliminate duplicates Z: 15 16.894 1.699 0.680 0.866 0.929 0.571 CB 1.247 11 residues pruned to eliminate duplicates Z: 15 27.827 2.012 1.090 0.899 1.000 0.929 CA 1.264 15 residues pruned to eliminate duplicates Z: 15 12.252 1.722 0.463 0.870 1.000 0.714 CB 0.948 15 residues pruned to eliminate duplicates Z: 17 21.045 1.944 0.492 0.760 1.000 0.812 CB 1.439 17 residues pruned to eliminate duplicates Z: 36 28.827 2.027 0.710 0.625 0.914 0.743 CA 1.366 36 residues pruned to eliminate duplicates Z: 14 24.175 1.962 0.720 0.859 0.923 0.769 CB 1.584 14 residues pruned to eliminate duplicates Z: 15 25.259 1.989 1.115 0.893 0.929 0.857 CA 1.240 15 residues pruned to eliminate duplicates Z: 14 36.450 2.259 1.148 0.923 1.000 0.769 CA 1.464 14 residues pruned to eliminate duplicates Z: 9 3.120 1.799 -0.138 0.325 0.875 0.500 CB 0.986 9 residues pruned to eliminate duplicates Z: 19 16.005 2.119 0.636 0.267 0.944 0.500 CA 1.502 19 residues pruned to eliminate duplicates Z: 97 52.497 2.127 0.745 0.589 0.927 0.646 CB 1.430 110 residues pruned to eliminate duplicates Z: 9 11.821 1.747 0.380 0.878 1.000 0.500 CB 1.258 10 residues pruned to eliminate duplicates Z: 7 7.236 2.102 0.418 0.269 1.000 0.333 CA 1.289 7 residues pruned to eliminate duplicates Z: 10 10.234 1.710 0.258 0.926 1.000 0.556 CB 1.113 9 residues pruned to eliminate duplicates Z: 66 61.269 2.196 0.890 0.717 0.969 0.723 CA 1.553 66 residues pruned to eliminate duplicates Z: 27 43.130 2.157 0.822 0.908 1.000 0.577 CB 1.529 27 residues pruned to eliminate duplicates Z: 13 32.241 2.131 1.601 0.863 0.917 0.500 CB 1.344 13 residues pruned to eliminate duplicates Z: 12 23.084 1.920 1.013 0.934 1.000 0.909 CA 1.256 12 residues pruned to eliminate duplicates Z: 17 14.890 1.822 0.633 0.682 1.000 0.562 CB 1.058 17 residues pruned to eliminate duplicates Z: 27 30.393 2.008 0.713 0.917 1.000 0.577 CB 1.223 27 residues pruned to eliminate duplicates Z: 33 31.265 2.020 0.828 0.782 0.906 0.562 CB 1.288 33 residues pruned to eliminate duplicates Z: 41 22.212 1.919 0.744 0.517 0.900 0.650 CB 1.146 41 residues pruned to eliminate duplicates Z: 11 11.650 1.862 0.311 0.815 0.800 0.500 CA 1.435 11 residues pruned to eliminate duplicates Z: 25 31.341 2.168 0.547 0.899 0.917 0.750 CB 1.488 25 residues pruned to eliminate duplicates Z: 13 21.939 2.127 0.854 0.806 0.750 0.250 CB 1.639 13 residues pruned to eliminate duplicates Z: 25 32.213 2.209 0.442 0.919 1.000 0.875 CA 1.455 25 residues pruned to eliminate duplicates Z: 6 10.023 2.276 0.283 0.475 1.000 0.600 CB 1.575 Z: 89 67.025 2.176 0.945 0.670 0.932 0.693 CA 1.547 85 residues pruned to eliminate duplicates Z: 34 26.650 1.990 0.796 0.726 0.848 0.576 CB 1.247 34 residues pruned to eliminate duplicates Z: 13 25.838 2.010 0.980 0.932 0.917 0.667 CB 1.428 13 residues pruned to eliminate duplicates Z: 31 25.926 1.963 0.673 0.619 0.933 0.733 CA 1.380 31 residues pruned to eliminate duplicates Z: 12 18.958 1.812 0.599 0.850 1.000 0.455 CB 1.461 15 residues pruned to eliminate duplicates Z: 11 15.533 1.805 0.496 0.862 1.000 0.600 CB 1.337 11 residues pruned to eliminate duplicates Z: 20 35.752 2.001 1.152 0.890 1.000 0.895 CA 1.370 20 residues pruned to eliminate duplicates Z: 10 12.525 1.825 0.295 0.918 1.000 1.000 CA 1.246 10 residues pruned to eliminate duplicates Z: 12 12.963 1.825 0.352 0.865 1.000 0.909 CB 1.160 12 residues pruned to eliminate duplicates Z: 9 4.324 1.849 0.260 0.217 0.875 0.750 CA 1.045 9 residues pruned to eliminate duplicates Z: 12 27.281 2.020 1.107 0.924 1.000 0.545 CB 1.357 12 residues pruned to eliminate duplicates Z: 16 18.179 2.109 0.740 0.462 0.867 0.400 CB 1.534 16 residues pruned to eliminate duplicates Z: 15 6.580 1.391 0.309 0.439 0.929 0.429 CB 1.108 Z: 26 31.285 2.012 0.743 0.916 0.960 0.720 CB 1.312 26 residues pruned to eliminate duplicates Z: 15 14.401 1.725 0.409 0.911 1.000 1.000 CB 1.122 15 residues pruned to eliminate duplicates 7 1.678 1.491 0.501 0.364 0.833 0.667 CB 0.425 ? Z: 45 45.075 2.166 0.841 0.618 0.977 0.773 CB 1.560 45 residues pruned to eliminate duplicates Z: 10 7.322 1.582 0.485 0.798 0.889 0.444 CB 0.901 10 residues pruned to eliminate duplicates Z: 46 28.838 1.972 0.838 0.598 0.911 0.600 CB 1.186 46 residues pruned to eliminate duplicates Z: 40 38.799 1.958 0.870 0.818 1.000 0.872 CB 1.287 40 residues pruned to eliminate duplicates Z: 66 67.470 2.234 0.938 0.726 0.985 0.708 CA 1.601 66 residues pruned to eliminate duplicates Z: 17 28.608 2.302 0.515 0.938 1.000 1.000 CA 1.425 17 residues pruned to eliminate duplicates Z: 36 28.402 2.018 0.499 0.744 1.000 0.743 CB 1.276 36 residues pruned to eliminate duplicates Z: 26 31.754 2.015 0.982 0.924 0.920 0.520 CB 1.213 26 residues pruned to eliminate duplicates Z: 33 35.475 2.013 0.998 0.805 0.938 0.406 CB 1.274 33 residues pruned to eliminate duplicates Z: 28 21.725 2.040 0.588 0.494 0.889 0.630 CB 1.460 28 residues pruned to eliminate duplicates Z: 10 14.262 1.988 0.324 0.910 1.000 0.889 CB 1.281 10 residues pruned to eliminate duplicates Z: 36 29.652 2.087 0.464 0.713 0.914 0.743 CA 1.478 36 residues pruned to eliminate duplicates Z: 7 5.191 1.532 0.526 0.245 1.000 0.500 CB 1.217 7 residues pruned to eliminate duplicates Z: 14 23.463 1.922 1.292 0.853 1.000 0.846 CA 1.092 14 residues pruned to eliminate duplicates Z: 36 15.050 1.780 0.576 0.375 0.857 0.629 CB 1.209 36 residues pruned to eliminate duplicates Z: 10 8.545 1.662 0.600 0.772 0.778 0.333 CA 1.082 10 residues pruned to eliminate duplicates Z: 10 12.823 1.655 0.659 0.817 1.000 0.556 CB 1.182 9 residues pruned to eliminate duplicates Z: 39 24.859 1.912 0.403 0.726 0.974 0.816 CB 1.260 39 residues pruned to eliminate duplicates Z: 16 18.739 1.746 0.923 0.888 1.000 0.733 CB 1.038 16 residues pruned to eliminate duplicates Z: 40 32.132 2.076 0.812 0.646 0.872 0.436 CB 1.369 40 residues pruned to eliminate duplicates Z: 10 8.882 1.593 0.483 0.880 1.000 0.667 CB 0.908 Z: 6 2.063 0.984 0.224 0.832 0.800 0.600 O 0.719 Z: 15 13.251 1.722 0.669 0.903 0.929 0.643 CB 0.946 15 residues pruned to eliminate duplicates Z: 15 12.698 1.746 0.706 0.932 0.929 0.786 CB 0.857 15 residues pruned to eliminate duplicates Z: 44 45.988 2.215 0.981 0.599 0.907 0.651 CB 1.603 44 residues pruned to eliminate duplicates Z: 13 14.183 1.728 0.628 0.869 1.000 0.667 CA 1.063 13 residues pruned to eliminate duplicates Z: 6 2.488 1.480 0.205 0.302 0.800 0.600 CB 0.972 Z: 26 31.961 2.154 0.483 0.909 0.960 0.920 CA 1.479 26 residues pruned to eliminate duplicates Z: 9 9.655 1.677 0.255 0.876 1.000 0.750 CB 1.179 9 residues pruned to eliminate duplicates Z: 10 9.219 1.621 0.924 0.797 0.889 0.667 CB 0.855 10 residues pruned to eliminate duplicates Z: 11 5.051 1.437 0.634 0.509 0.700 0.300 CB 0.963 11 residues pruned to eliminate duplicates 7 1.790 1.826 0.395 0.327 0.500 0.333 CB 0.694 ? Z: 11 20.680 2.079 0.418 0.929 1.000 1.000 CA 1.553 12 residues pruned to eliminate duplicates Z: 16 14.343 1.720 0.476 0.858 0.933 0.867 CB 1.151 16 residues pruned to eliminate duplicates Z: 44 48.445 2.210 0.940 0.595 0.977 0.628 CA 1.612 44 residues pruned to eliminate duplicates Z: 13 13.975 1.851 0.537 0.860 0.833 0.417 CB 1.251 13 residues pruned to eliminate duplicates Z: 15 28.462 2.167 0.784 0.827 0.929 0.643 CB 1.597 15 residues pruned to eliminate duplicates Z: 44 45.353 2.214 0.778 0.618 0.977 0.721 CA 1.609 44 residues pruned to eliminate duplicates 7 1.278 1.289 1.008 0.250 0.833 0.333 CB 0.322 ? Z: 26 29.934 2.039 0.972 0.851 0.920 0.520 CB 1.197 26 residues pruned to eliminate duplicates Z: 13 24.349 1.967 0.726 0.911 1.000 0.667 CB 1.467 13 residues pruned to eliminate duplicates Z: 27 25.005 1.973 0.380 0.872 1.000 0.654 CB 1.313 27 residues pruned to eliminate duplicates Z: 35 31.263 2.093 0.721 0.735 0.882 0.647 CB 1.366 35 residues pruned to eliminate duplicates Z: 42 31.610 2.021 0.761 0.523 0.902 0.610 CB 1.502 42 residues pruned to eliminate duplicates Z: 8 2.998 1.487 0.464 0.376 0.714 0.429 CB 0.832 Z: 18 27.580 2.185 0.423 0.900 1.000 0.824 CA 1.537 18 residues pruned to eliminate duplicates Z: 14 37.699 2.236 1.113 0.938 1.000 0.769 CB 1.539 14 residues pruned to eliminate duplicates Z: 6 2.697 1.437 0.151 0.438 0.800 0.600 CA 0.972 7 1.719 1.373 0.488 0.248 0.500 0.333 C 0.918 ? Z: 14 8.170 1.512 0.392 0.542 1.000 0.385 CB 1.033 16 residues pruned to eliminate duplicates Z: 15 15.015 1.797 0.451 0.906 1.000 0.786 CB 1.094 15 residues pruned to eliminate duplicates Z: 10 9.387 1.588 0.469 0.886 0.889 0.778 CB 1.089 10 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 7 15.974 2.090 0.647 0.615 1.000 0.667 CB 1.699 Z: 16 17.854 2.021 0.444 0.549 0.933 0.800 CA 1.614 7 residues pruned to eliminate duplicates Z: 6 4.781 1.616 0.309 0.405 0.800 0.800 O 1.397 6 residues pruned to eliminate duplicates Z: 16 19.036 2.026 0.734 0.522 0.933 0.667 CB 1.466 16 residues pruned to eliminate duplicates Z: 7 2.690 1.162 0.515 0.600 0.833 0.500 N 0.680 7 residues pruned to eliminate duplicates Z: 45 24.773 1.955 0.565 0.521 0.886 0.636 CB 1.349 61 residues pruned to eliminate duplicates Z: 19 19.340 1.923 0.621 0.456 0.944 0.667 CB 1.619 Z: 14 20.419 1.946 0.597 0.848 0.923 0.769 CB 1.465 14 residues pruned to eliminate duplicates Z: 19 23.648 1.876 0.703 0.630 1.000 0.667 CB 1.544 18 residues pruned to eliminate duplicates Z: 13 22.151 1.969 0.618 0.874 1.000 0.750 CB 1.461 13 residues pruned to eliminate duplicates Z: 17 22.596 1.938 0.654 0.673 0.938 0.688 CB 1.603 17 residues pruned to eliminate duplicates Z: 17 21.732 1.939 0.671 0.659 0.938 0.625 CB 1.544 17 residues pruned to eliminate duplicates Z: 21 20.997 1.820 0.676 0.674 0.900 0.400 CB 1.456 19 residues pruned to eliminate duplicates Z: 14 24.105 1.980 0.747 0.846 0.923 0.923 CB 1.556 14 residues pruned to eliminate duplicates Z: 19 18.559 1.860 0.679 0.638 0.833 0.722 CB 1.477 19 residues pruned to eliminate duplicates Z: 18 21.582 1.894 0.680 0.667 0.941 0.588 CB 1.498 18 residues pruned to eliminate duplicates Z: 17 16.853 1.927 0.580 0.679 0.812 0.688 CB 1.445 17 residues pruned to eliminate duplicates Z: 25 34.368 2.020 0.881 0.813 0.958 0.583 CB 1.467 25 residues pruned to eliminate duplicates Z: 24 36.462 2.082 0.931 0.886 0.913 0.565 CB 1.494 24 residues pruned to eliminate duplicates Z: 23 35.080 2.127 0.656 0.880 1.000 0.682 CB 1.539 23 residues pruned to eliminate duplicates Z: 22 36.977 2.159 0.935 0.844 0.905 0.619 CA 1.588 22 residues pruned to eliminate duplicates Z: 24 34.939 2.063 0.881 0.858 0.957 0.435 CB 1.444 24 residues pruned to eliminate duplicates Z: 23 34.563 2.106 0.832 0.847 0.909 0.591 CB 1.559 23 residues pruned to eliminate duplicates Z: 23 42.701 2.117 1.139 0.857 0.955 0.500 CB 1.552 23 residues pruned to eliminate duplicates Z: 20 43.164 2.195 1.017 0.909 1.000 0.526 CB 1.588 20 residues pruned to eliminate duplicates Z: 22 40.215 2.125 1.024 0.845 0.952 0.429 CB 1.593 22 residues pruned to eliminate duplicates Z: 22 41.927 2.161 1.098 0.833 0.905 0.429 CA 1.673 22 residues pruned to eliminate duplicates Z: 20 43.322 2.215 1.055 0.909 0.947 0.474 CB 1.636 20 residues pruned to eliminate duplicates Z: 22 39.640 2.108 1.131 0.860 0.905 0.524 CB 1.564 22 residues pruned to eliminate duplicates Z: 22 40.705 2.158 0.967 0.879 1.000 0.524 CB 1.518 22 residues pruned to eliminate duplicates Z: 25 39.237 2.039 1.158 0.799 0.958 0.458 CB 1.462 23 residues pruned to eliminate duplicates Z: 20 52.541 2.204 1.388 0.926 1.000 0.368 CB 1.605 22 residues pruned to eliminate duplicates Z: 16 33.121 2.102 0.942 0.910 1.000 0.667 CB 1.486 16 residues pruned to eliminate duplicates Z: 22 44.283 2.103 1.342 0.847 0.952 0.238 CB 1.529 23 residues pruned to eliminate duplicates Z: 20 45.535 2.215 1.140 0.937 0.947 0.526 CB 1.618 20 residues pruned to eliminate duplicates Z: 25 44.232 2.033 1.269 0.854 1.000 0.417 CB 1.445 23 residues pruned to eliminate duplicates Z: 6 2.303 1.547 0.594 0.385 0.600 0.600 CB 0.787 6 residues pruned to eliminate duplicates Z: 45 34.318 2.086 0.941 0.606 0.864 0.591 CB 1.338 51 residues pruned to eliminate duplicates Z: 6 7.338 1.556 1.126 0.488 0.800 0.800 N 1.256 6 residues pruned to eliminate duplicates Z: 45 32.612 2.045 0.838 0.636 0.886 0.568 CB 1.299 45 residues pruned to eliminate duplicates Z: 26 33.753 2.242 0.958 0.615 0.880 0.760 CB 1.567 26 residues pruned to eliminate duplicates Z: 55 31.150 2.050 0.755 0.507 0.870 0.537 CB 1.344 55 residues pruned to eliminate duplicates Z: 49 34.444 2.043 0.868 0.595 0.875 0.604 CB 1.360 49 residues pruned to eliminate duplicates Z: 44 36.750 2.101 0.916 0.636 0.884 0.674 CB 1.387 44 residues pruned to eliminate duplicates Z: 44 41.638 2.117 0.947 0.644 0.977 0.674 CB 1.379 44 residues pruned to eliminate duplicates Z: 45 33.414 2.080 0.804 0.613 0.909 0.591 CB 1.327 45 residues pruned to eliminate duplicates Z: 45 36.506 2.089 0.881 0.626 0.909 0.614 CB 1.368 45 residues pruned to eliminate duplicates Z: 46 27.922 2.006 0.780 0.508 0.911 0.467 CB 1.270 46 residues pruned to eliminate duplicates Z: 44 40.408 2.120 0.954 0.648 0.930 0.628 CB 1.393 44 residues pruned to eliminate duplicates Z: 14 31.378 2.268 1.254 0.833 0.923 0.692 CB 1.384 14 residues pruned to eliminate duplicates Z: 46 36.304 2.075 0.801 0.595 0.956 0.622 CB 1.385 46 residues pruned to eliminate duplicates Z: 44 31.698 2.087 0.763 0.610 0.907 0.558 CB 1.305 44 residues pruned to eliminate duplicates Z: 43 34.089 2.120 0.762 0.637 0.905 0.619 CB 1.368 43 residues pruned to eliminate duplicates Z: 45 39.676 2.090 0.948 0.629 0.955 0.523 CB 1.363 45 residues pruned to eliminate duplicates Z: 43 38.229 2.132 0.879 0.635 0.929 0.548 CB 1.398 43 residues pruned to eliminate duplicates Z: 44 36.916 2.111 0.890 0.617 0.930 0.628 CB 1.358 44 residues pruned to eliminate duplicates Z: 45 35.220 2.077 0.848 0.630 0.932 0.523 CB 1.314 45 residues pruned to eliminate duplicates Z: 45 38.060 2.102 0.973 0.627 0.932 0.659 CB 1.317 45 residues pruned to eliminate duplicates Z: 14 29.633 2.262 1.451 0.819 0.846 0.231 CB 1.328 14 residues pruned to eliminate duplicates Z: 42 40.255 2.133 0.845 0.669 0.976 0.659 CB 1.400 42 residues pruned to eliminate duplicates Z: 20 19.760 1.852 0.916 0.706 0.895 0.632 CB 1.184 20 residues pruned to eliminate duplicates Z: 19 20.225 1.904 0.839 0.738 0.944 0.778 CB 1.164 19 residues pruned to eliminate duplicates Z: 42 25.055 1.964 0.685 0.550 0.829 0.512 CB 1.358 42 residues pruned to eliminate duplicates Z: 42 24.569 1.949 0.773 0.514 0.854 0.610 CB 1.284 42 residues pruned to eliminate duplicates Z: 41 21.965 1.989 0.653 0.493 0.925 0.525 CB 1.150 41 residues pruned to eliminate duplicates Z: 19 16.815 1.875 0.704 0.731 0.944 0.778 CB 1.067 19 residues pruned to eliminate duplicates Z: 19 16.357 1.874 0.700 0.733 0.889 0.778 CB 1.104 19 residues pruned to eliminate duplicates Z: 18 17.868 1.910 0.695 0.751 0.941 0.765 CB 1.137 18 residues pruned to eliminate duplicates Z: 45 30.614 1.973 0.861 0.558 0.909 0.455 CB 1.307 45 residues pruned to eliminate duplicates Z: 18 18.844 1.897 0.899 0.744 0.941 0.765 CB 1.084 18 residues pruned to eliminate duplicates Z: 21 17.617 1.818 0.775 0.655 0.900 0.550 CB 1.174 21 residues pruned to eliminate duplicates Z: 17 18.261 1.920 0.845 0.742 0.938 0.750 CB 1.107 17 residues pruned to eliminate duplicates Z: 19 18.108 1.859 0.840 0.736 0.889 0.667 CB 1.135 19 residues pruned to eliminate duplicates Z: 40 22.932 1.963 0.871 0.492 0.897 0.462 CB 1.123 40 residues pruned to eliminate duplicates Z: 55 31.629 2.068 0.744 0.528 0.852 0.556 CB 1.362 55 residues pruned to eliminate duplicates Z: 41 26.201 1.989 0.796 0.538 0.900 0.575 CB 1.241 41 residues pruned to eliminate duplicates Z: 40 27.433 2.018 0.788 0.542 0.923 0.436 CB 1.266 40 residues pruned to eliminate duplicates Z: 41 26.168 1.998 0.840 0.522 0.975 0.575 CB 1.129 41 residues pruned to eliminate duplicates Z: 40 26.669 2.004 0.809 0.562 0.949 0.513 CB 1.169 40 residues pruned to eliminate duplicates Z: 11 5.111 2.094 0.141 0.156 0.800 0.400 CB 1.289 11 residues pruned to eliminate duplicates Z: 34 20.433 1.991 0.631 0.482 0.879 0.606 CB 1.270 34 residues pruned to eliminate duplicates Z: 13 3.915 1.898 0.180 0.122 0.750 0.333 CB 1.081 13 residues pruned to eliminate duplicates Z: 31 16.858 1.928 0.575 0.503 0.900 0.567 CB 1.123 31 residues pruned to eliminate duplicates Z: 12 6.014 1.980 0.167 0.155 0.909 0.545 CB 1.318 12 residues pruned to eliminate duplicates Z: 34 22.818 1.992 0.491 0.543 0.970 0.636 CB 1.323 34 residues pruned to eliminate duplicates Z: 13 14.361 1.728 0.445 0.818 1.000 0.417 CB 1.260 13 residues pruned to eliminate duplicates Z: 10 22.708 1.945 0.841 0.895 1.000 0.556 CB 1.516 12 residues pruned to eliminate duplicates Z: 12 15.086 1.742 0.453 0.857 1.000 0.636 CB 1.324 12 residues pruned to eliminate duplicates Z: 11 16.074 1.847 0.616 0.800 0.900 0.400 CB 1.456 11 residues pruned to eliminate duplicates Z: 13 10.609 1.688 0.525 0.701 0.833 0.333 CB 1.189 13 residues pruned to eliminate duplicates Z: 12 17.114 1.803 0.638 0.711 1.000 0.091 CA 1.443 12 residues pruned to eliminate duplicates Z: 11 16.545 1.825 0.649 0.914 1.000 0.400 CB 1.230 11 residues pruned to eliminate duplicates Z: 13 11.877 1.768 0.607 0.686 0.917 0.667 CB 1.111 13 residues pruned to eliminate duplicates Z: 34 30.095 2.139 0.359 0.743 1.000 0.788 CB 1.451 34 residues pruned to eliminate duplicates Z: 31 29.000 2.059 0.570 0.777 0.933 0.667 CB 1.374 31 residues pruned to eliminate duplicates Z: 34 32.815 2.092 0.578 0.745 1.000 0.697 CA 1.390 34 residues pruned to eliminate duplicates Z: 33 31.925 2.110 0.527 0.784 0.969 0.812 CB 1.408 33 residues pruned to eliminate duplicates Z: 27 32.830 2.168 0.664 0.849 0.923 0.654 CB 1.433 27 residues pruned to eliminate duplicates Z: 34 33.816 2.168 0.633 0.741 0.909 0.758 CB 1.473 34 residues pruned to eliminate duplicates Z: 33 32.244 2.174 0.415 0.756 0.969 0.812 CB 1.522 33 residues pruned to eliminate duplicates Z: 33 34.465 2.157 0.620 0.754 0.938 0.844 CA 1.483 33 residues pruned to eliminate duplicates Z: 35 34.164 2.151 0.631 0.735 0.912 0.824 CB 1.484 35 residues pruned to eliminate duplicates Z: 116 75.144 2.155 0.876 0.676 0.948 0.704 CB 1.555 115 residues pruned to eliminate duplicates Z: 26 37.212 2.225 0.548 0.894 1.000 0.760 CA 1.550 26 residues pruned to eliminate duplicates Z: 36 33.967 2.141 0.629 0.697 0.943 0.571 CB 1.459 36 residues pruned to eliminate duplicates Z: 101 76.279 2.195 0.905 0.720 0.970 0.700 CB 1.542 101 residues pruned to eliminate duplicates Z: 34 34.276 2.128 0.578 0.740 0.970 0.667 CB 1.478 34 residues pruned to eliminate duplicates Z: 29 36.147 2.161 0.737 0.840 0.929 0.607 CB 1.463 28 residues pruned to eliminate duplicates Z: 27 42.923 2.156 1.070 0.932 0.962 0.577 CB 1.370 27 residues pruned to eliminate duplicates Z: 34 38.986 2.136 0.944 0.737 0.939 0.485 CB 1.407 34 residues pruned to eliminate duplicates Z: 38 39.513 2.097 0.933 0.683 0.919 0.595 CB 1.475 38 residues pruned to eliminate duplicates Z: 35 39.901 2.125 1.025 0.721 0.941 0.471 CB 1.384 35 residues pruned to eliminate duplicates Z: 26 49.110 2.237 1.114 0.932 1.000 0.480 CB 1.451 26 residues pruned to eliminate duplicates Z: 35 40.776 2.140 1.011 0.760 0.941 0.500 CB 1.371 36 residues pruned to eliminate duplicates Z: 26 50.614 2.228 1.229 0.924 1.000 0.440 CB 1.432 28 residues pruned to eliminate duplicates Z: 27 44.650 2.192 0.985 0.918 1.000 0.692 CB 1.419 27 residues pruned to eliminate duplicates Z: 36 34.443 2.123 0.840 0.723 0.886 0.486 CB 1.376 36 residues pruned to eliminate duplicates Z: 33 43.941 2.169 0.953 0.787 1.000 0.469 CB 1.425 33 residues pruned to eliminate duplicates Z: 105 75.596 2.209 0.963 0.690 0.942 0.587 CB 1.525 105 residues pruned to eliminate duplicates Z: 23 31.551 2.189 0.918 0.664 0.955 0.318 CB 1.441 23 residues pruned to eliminate duplicates Z: 36 42.124 2.103 1.050 0.729 0.971 0.514 CB 1.383 36 residues pruned to eliminate duplicates Z: 33 47.383 2.186 1.017 0.797 1.000 0.625 CB 1.464 33 residues pruned to eliminate duplicates Z: 36 34.150 2.085 0.899 0.725 0.886 0.457 CB 1.344 36 residues pruned to eliminate duplicates Z: 71 65.431 2.215 0.934 0.687 0.957 0.686 CA 1.607 71 residues pruned to eliminate duplicates Z: 70 68.990 2.251 0.981 0.699 0.957 0.638 CB 1.624 70 residues pruned to eliminate duplicates Z: 71 65.498 2.222 0.881 0.698 0.986 0.743 CA 1.587 71 residues pruned to eliminate duplicates Z: 65 68.197 2.258 0.955 0.714 0.969 0.703 CA 1.642 65 residues pruned to eliminate duplicates Z: 31 36.096 2.113 1.067 0.545 0.933 0.533 CB 1.547 31 residues pruned to eliminate duplicates Z: 67 67.174 2.233 0.971 0.692 0.955 0.652 CB 1.651 67 residues pruned to eliminate duplicates Z: 72 63.912 2.194 1.033 0.678 0.944 0.676 CB 1.530 72 residues pruned to eliminate duplicates Z: 65 73.085 2.253 1.017 0.745 1.000 0.719 CA 1.614 65 residues pruned to eliminate duplicates Z: 68 63.675 2.237 0.921 0.694 0.955 0.657 CA 1.587 68 residues pruned to eliminate duplicates Z: 71 66.937 2.251 0.984 0.687 0.943 0.643 CB 1.601 71 residues pruned to eliminate duplicates Z: 70 70.028 2.240 1.028 0.695 0.971 0.739 CA 1.599 70 residues pruned to eliminate duplicates Z: 73 64.272 2.208 0.952 0.669 0.944 0.694 CA 1.592 73 residues pruned to eliminate duplicates Z: 71 65.913 2.235 0.942 0.693 0.957 0.700 CA 1.589 71 residues pruned to eliminate duplicates Z: 66 68.653 2.253 0.970 0.710 0.985 0.708 CA 1.610 66 residues pruned to eliminate duplicates Z: 72 70.305 2.206 1.072 0.678 0.972 0.746 CB 1.594 72 residues pruned to eliminate duplicates Z: 76 62.279 2.206 0.930 0.634 0.960 0.667 CA 1.552 76 residues pruned to eliminate duplicates Z: 68 64.833 2.239 0.962 0.686 0.955 0.761 CA 1.590 68 residues pruned to eliminate duplicates Z: 73 63.107 2.191 0.955 0.676 0.944 0.736 CA 1.564 73 residues pruned to eliminate duplicates Z: 100 76.918 2.221 0.970 0.705 0.929 0.667 CB 1.577 100 residues pruned to eliminate duplicates Z: 69 66.096 2.248 0.917 0.698 0.985 0.765 CB 1.575 69 residues pruned to eliminate duplicates Z: 72 62.950 2.194 0.886 0.692 0.986 0.761 CA 1.535 72 residues pruned to eliminate duplicates Z: 70 61.344 2.230 0.894 0.688 0.942 0.739 CB 1.562 70 residues pruned to eliminate duplicates Z: 73 61.792 2.195 0.908 0.684 0.958 0.833 CA 1.532 73 residues pruned to eliminate duplicates Z: 103 73.209 2.171 0.962 0.688 0.931 0.647 CB 1.538 103 residues pruned to eliminate duplicates Z: 70 65.222 2.240 0.876 0.697 0.971 0.710 CB 1.608 70 residues pruned to eliminate duplicates Z: 71 63.384 2.229 0.907 0.686 0.957 0.757 CA 1.571 71 residues pruned to eliminate duplicates Z: 75 66.704 2.236 0.991 0.635 0.959 0.730 CA 1.599 75 residues pruned to eliminate duplicates Z: 72 61.465 2.208 0.859 0.684 0.972 0.746 CA 1.545 72 residues pruned to eliminate duplicates Z: 71 60.281 2.205 0.858 0.685 0.971 0.757 CA 1.528 71 residues pruned to eliminate duplicates Z: 73 69.985 2.184 1.103 0.684 0.972 0.708 CA 1.561 73 residues pruned to eliminate duplicates Z: 68 64.046 2.234 0.932 0.718 0.955 0.836 CA 1.559 68 residues pruned to eliminate duplicates Z: 71 67.574 2.231 0.949 0.684 0.986 0.771 CA 1.592 71 residues pruned to eliminate duplicates Z: 71 60.081 2.206 0.852 0.695 0.986 0.729 CA 1.492 71 residues pruned to eliminate duplicates Z: 99 81.631 2.228 0.990 0.721 0.980 0.663 CB 1.556 99 residues pruned to eliminate duplicates Z: 70 65.013 2.253 0.885 0.687 0.971 0.739 CA 1.599 70 residues pruned to eliminate duplicates Z: 101 77.069 2.208 0.895 0.704 0.990 0.700 CB 1.545 101 residues pruned to eliminate duplicates Z: 71 65.569 2.237 0.920 0.686 0.971 0.743 CA 1.584 71 residues pruned to eliminate duplicates Z: 70 59.457 2.235 0.825 0.676 0.942 0.783 CA 1.584 70 residues pruned to eliminate duplicates Z: 68 67.228 2.211 1.027 0.704 0.955 0.567 CB 1.593 68 residues pruned to eliminate duplicates Z: 73 65.159 2.213 0.978 0.668 0.958 0.708 CB 1.568 73 residues pruned to eliminate duplicates Z: 67 70.611 2.271 0.990 0.724 0.985 0.742 CA 1.596 67 residues pruned to eliminate duplicates Z: 67 70.062 2.256 0.978 0.725 0.985 0.667 CB 1.602 67 residues pruned to eliminate duplicates Z: 83 64.403 2.173 0.873 0.701 0.951 0.695 CB 1.529 82 residues pruned to eliminate duplicates Z: 15 33.063 2.151 1.515 0.892 0.857 0.714 CA 1.368 15 residues pruned to eliminate duplicates Z: 72 65.620 2.214 0.970 0.694 0.958 0.704 CA 1.562 72 residues pruned to eliminate duplicates Z: 41 48.596 2.144 1.002 0.743 0.975 0.700 CB 1.478 41 residues pruned to eliminate duplicates Z: 65 68.686 2.259 1.002 0.724 0.984 0.719 CA 1.575 65 residues pruned to eliminate duplicates Z: 68 65.005 2.212 0.992 0.704 0.970 0.776 CA 1.543 68 residues pruned to eliminate duplicates Z: 66 71.352 2.253 0.986 0.747 1.000 0.692 CA 1.586 66 residues pruned to eliminate duplicates Z: 66 67.967 2.260 0.955 0.708 0.985 0.723 CA 1.605 66 residues pruned to eliminate duplicates Z: 66 70.660 2.259 0.998 0.726 1.000 0.708 CA 1.585 66 residues pruned to eliminate duplicates Z: 74 63.149 2.193 0.941 0.667 0.945 0.699 CB 1.573 74 residues pruned to eliminate duplicates Z: 71 63.341 2.236 0.951 0.677 0.943 0.729 CB 1.564 71 residues pruned to eliminate duplicates Z: 58 43.177 2.029 0.886 0.693 0.877 0.719 CB 1.427 58 residues pruned to eliminate duplicates Z: 69 67.362 2.249 0.969 0.705 0.971 0.662 CB 1.578 69 residues pruned to eliminate duplicates Z: 71 62.942 2.215 0.957 0.675 0.943 0.729 CA 1.566 71 residues pruned to eliminate duplicates Z: 67 68.325 2.257 1.030 0.707 0.970 0.727 CB 1.568 67 residues pruned to eliminate duplicates Z: 65 73.928 2.288 1.118 0.722 0.969 0.781 CA 1.612 65 residues pruned to eliminate duplicates Z: 71 70.302 2.231 1.049 0.694 0.971 0.700 CA 1.585 71 residues pruned to eliminate duplicates Z: 66 69.266 2.250 1.046 0.728 0.969 0.754 CB 1.568 66 residues pruned to eliminate duplicates Z: 69 66.821 2.210 1.056 0.686 0.956 0.662 CA 1.573 69 residues pruned to eliminate duplicates Z: 70 72.798 2.227 1.127 0.698 0.986 0.710 CA 1.568 70 residues pruned to eliminate duplicates Z: 83 63.757 2.153 0.958 0.680 0.939 0.671 CB 1.508 83 residues pruned to eliminate duplicates Z: 67 66.088 2.241 0.981 0.724 0.955 0.697 CB 1.568 67 residues pruned to eliminate duplicates Z: 9 11.185 1.741 0.326 0.887 1.000 0.750 CB 1.235 9 residues pruned to eliminate duplicates Z: 10 10.973 1.739 0.460 0.877 0.889 0.667 CB 1.177 10 residues pruned to eliminate duplicates Z: 10 10.386 1.722 0.444 0.786 1.000 0.556 CB 1.083 10 residues pruned to eliminate duplicates Z: 11 10.959 1.629 0.570 0.794 0.900 0.700 CB 1.164 11 residues pruned to eliminate duplicates Z: 10 10.621 1.727 0.459 0.910 0.889 0.556 CB 1.121 10 residues pruned to eliminate duplicates Z: 12 9.347 1.636 0.436 0.763 0.818 0.545 CB 1.160 11 residues pruned to eliminate duplicates Z: 9 11.753 1.734 0.278 0.920 1.000 0.875 CB 1.320 11 residues pruned to eliminate duplicates Z: 10 12.155 1.633 0.420 0.869 1.000 0.889 CB 1.276 10 residues pruned to eliminate duplicates Z: 21 27.144 2.117 0.829 0.605 0.950 0.600 CB 1.494 27 residues pruned to eliminate duplicates Z: 21 24.580 2.136 0.730 0.555 0.900 0.600 CB 1.567 21 residues pruned to eliminate duplicates Z: 57 44.283 2.216 0.588 0.699 0.893 0.786 CB 1.571 76 residues pruned to eliminate duplicates Z: 50 51.540 2.280 0.724 0.696 0.939 0.714 CB 1.668 51 residues pruned to eliminate duplicates Z: 15 34.719 2.180 0.935 0.868 1.000 0.786 CA 1.608 15 residues pruned to eliminate duplicates Z: 41 26.382 2.037 0.596 0.467 0.900 0.650 CB 1.474 41 residues pruned to eliminate duplicates Z: 45 50.965 2.290 0.861 0.721 0.909 0.750 CA 1.624 45 residues pruned to eliminate duplicates Z: 49 47.030 2.219 0.776 0.723 0.854 0.708 CB 1.649 47 residues pruned to eliminate duplicates Z: 15 32.343 2.202 0.870 0.831 1.000 0.786 CA 1.578 15 residues pruned to eliminate duplicates Z: 34 36.627 2.241 0.609 0.695 0.909 0.818 CA 1.627 34 residues pruned to eliminate duplicates Z: 44 52.698 2.287 0.747 0.754 1.000 0.767 CA 1.603 44 residues pruned to eliminate duplicates Z: 59 50.600 2.205 0.724 0.650 0.966 0.724 CB 1.574 59 residues pruned to eliminate duplicates Z: 21 28.711 2.258 0.857 0.571 0.950 0.750 CB 1.505 21 residues pruned to eliminate duplicates Z: 58 57.407 2.251 0.830 0.685 0.947 0.684 CB 1.645 58 residues pruned to eliminate duplicates Z: 18 29.185 2.267 0.765 0.645 0.941 0.647 CB 1.640 18 residues pruned to eliminate duplicates Z: 44 55.031 2.308 0.873 0.751 0.953 0.814 CB 1.628 44 residues pruned to eliminate duplicates Z: 44 50.157 2.303 0.675 0.738 1.000 0.860 CA 1.601 44 residues pruned to eliminate duplicates Z: 45 48.829 2.283 0.678 0.733 0.955 0.773 CA 1.633 45 residues pruned to eliminate duplicates Z: 32 38.632 2.276 0.686 0.711 0.935 0.677 CB 1.596 32 residues pruned to eliminate duplicates Z: 44 56.285 2.290 0.906 0.757 0.953 0.767 CA 1.640 44 residues pruned to eliminate duplicates Z: 36 44.297 2.293 0.837 0.671 0.914 0.629 CB 1.660 36 residues pruned to eliminate duplicates Z: 31 32.230 2.140 0.782 0.605 0.933 0.633 CB 1.496 31 residues pruned to eliminate duplicates Z: 33 42.757 2.286 0.765 0.704 0.938 0.688 CB 1.660 34 residues pruned to eliminate duplicates Z: 25 40.797 2.300 0.823 0.892 0.958 0.875 CA 1.489 25 residues pruned to eliminate duplicates Z: 58 51.753 2.225 0.756 0.688 0.912 0.719 CB 1.619 58 residues pruned to eliminate duplicates Z: 45 50.991 2.268 0.877 0.736 0.932 0.727 CB 1.567 45 residues pruned to eliminate duplicates Z: 45 51.352 2.292 0.830 0.737 0.955 0.682 CB 1.563 45 residues pruned to eliminate duplicates Z: 36 34.193 2.258 0.698 0.670 0.857 0.714 CB 1.503 36 residues pruned to eliminate duplicates Z: 57 55.710 2.241 0.803 0.670 0.964 0.732 CB 1.632 57 residues pruned to eliminate duplicates Z: 56 41.060 2.163 0.716 0.595 0.891 0.691 CB 1.529 56 residues pruned to eliminate duplicates Z: 49 54.242 2.244 0.945 0.711 0.958 0.625 CB 1.546 49 residues pruned to eliminate duplicates Z: 20 31.704 2.209 1.054 0.811 0.789 0.579 CA 1.549 20 residues pruned to eliminate duplicates Z: 32 47.653 2.275 1.183 0.665 0.935 0.355 CB 1.581 32 residues pruned to eliminate duplicates Z: 18 28.410 2.177 1.130 0.742 0.706 0.353 CA 1.694 18 residues pruned to eliminate duplicates Z: 45 60.453 2.279 1.214 0.736 0.932 0.432 CB 1.568 45 residues pruned to eliminate duplicates Z: 24 59.643 2.313 1.471 0.923 1.000 0.435 CB 1.529 26 residues pruned to eliminate duplicates Z: 18 33.941 2.151 1.076 0.867 0.882 0.471 CA 1.528 18 residues pruned to eliminate duplicates Z: 29 44.113 2.267 1.253 0.762 0.857 0.357 CB 1.509 29 residues pruned to eliminate duplicates Z: 45 60.134 2.276 1.157 0.754 0.955 0.500 CB 1.543 43 residues pruned to eliminate duplicates Z: 14 35.276 2.311 1.090 0.855 1.000 0.692 CB 1.495 14 residues pruned to eliminate duplicates Z: 59 58.275 2.210 0.996 0.668 0.948 0.534 CB 1.566 59 residues pruned to eliminate duplicates Z: 21 33.558 2.264 1.200 0.634 0.800 0.500 CB 1.660 21 residues pruned to eliminate duplicates Z: 46 59.682 2.288 1.022 0.726 0.956 0.578 CB 1.642 46 residues pruned to eliminate duplicates Z: 35 27.085 1.999 0.426 0.789 0.941 0.794 CB 1.344 35 residues pruned to eliminate duplicates Z: 33 23.089 2.045 0.253 0.777 0.969 0.812 CB 1.288 33 residues pruned to eliminate duplicates Z: 37 25.619 1.988 0.366 0.748 0.972 0.722 CB 1.296 30 residues pruned to eliminate duplicates Z: 25 21.195 2.044 0.130 0.903 1.000 0.833 CB 1.334 25 residues pruned to eliminate duplicates Z: 38 22.430 1.963 0.233 0.731 0.973 0.757 CB 1.272 38 residues pruned to eliminate duplicates Z: 37 26.539 1.980 0.383 0.754 0.972 0.750 CB 1.326 37 residues pruned to eliminate duplicates Z: 25 28.299 2.099 0.434 0.899 0.958 0.833 CB 1.431 25 residues pruned to eliminate duplicates Z: 35 25.687 1.999 0.346 0.766 0.971 0.794 CB 1.332 35 residues pruned to eliminate duplicates Z: 37 25.834 1.965 0.404 0.730 0.972 0.778 CB 1.306 37 residues pruned to eliminate duplicates Z: 32 28.633 2.071 0.479 0.770 0.968 0.806 CB 1.366 32 residues pruned to eliminate duplicates Z: 44 21.672 1.917 0.283 0.651 0.930 0.698 CB 1.256 46 residues pruned to eliminate duplicates Z: 27 26.937 2.003 0.398 0.918 1.000 0.885 CB 1.331 27 residues pruned to eliminate duplicates Z: 31 25.725 2.071 0.419 0.787 0.933 0.867 CB 1.330 31 residues pruned to eliminate duplicates Z: 37 25.428 1.995 0.425 0.745 0.944 0.722 CB 1.267 37 residues pruned to eliminate duplicates Z: 102 54.601 1.993 0.766 0.726 0.950 0.723 CB 1.325 99 residues pruned to eliminate duplicates Z: 26 31.028 2.048 0.757 0.915 0.960 0.600 CB 1.270 26 residues pruned to eliminate duplicates Z: 99 53.198 1.992 0.764 0.745 0.939 0.643 CB 1.310 100 residues pruned to eliminate duplicates Z: 27 33.591 2.016 0.970 0.914 0.923 0.577 CB 1.270 27 residues pruned to eliminate duplicates Z: 35 28.910 2.015 0.638 0.775 0.912 0.500 CB 1.292 35 residues pruned to eliminate duplicates Z: 32 30.018 2.065 0.714 0.759 0.935 0.548 CB 1.294 32 residues pruned to eliminate duplicates Z: 31 32.555 1.968 0.818 0.818 0.967 0.700 CB 1.304 31 residues pruned to eliminate duplicates Z: 26 36.308 2.036 0.903 0.905 1.000 0.640 CB 1.334 26 residues pruned to eliminate duplicates Z: 38 27.327 1.964 0.632 0.728 0.973 0.676 CB 1.173 38 residues pruned to eliminate duplicates Z: 38 26.684 1.956 0.600 0.730 0.973 0.595 CB 1.171 38 residues pruned to eliminate duplicates Z: 96 58.202 2.022 0.837 0.748 0.968 0.653 CB 1.329 96 residues pruned to eliminate duplicates Z: 25 35.775 2.087 0.955 0.913 0.958 0.583 CB 1.322 25 residues pruned to eliminate duplicates Z: 38 30.270 1.977 0.622 0.740 0.973 0.622 CB 1.286 38 residues pruned to eliminate duplicates Z: 26 33.454 2.073 0.871 0.875 1.000 0.480 CB 1.255 26 residues pruned to eliminate duplicates Z: 38 28.094 1.974 0.709 0.700 0.973 0.459 CB 1.172 38 residues pruned to eliminate duplicates Z: 37 31.033 1.979 0.789 0.739 1.000 0.611 CB 1.179 38 residues pruned to eliminate duplicates Z: 6 5.474 1.705 0.250 0.428 1.000 0.600 CA 1.238 6 residues pruned to eliminate duplicates Z: 19 22.023 2.078 0.945 0.666 0.944 0.333 CB 1.166 19 residues pruned to eliminate duplicates Z: 33 31.004 2.034 0.845 0.731 0.969 0.656 CB 1.225 37 residues pruned to eliminate duplicates Z: 6 5.243 1.789 0.592 0.463 1.000 0.600 CB 0.855 6 residues pruned to eliminate duplicates Z: 100 56.648 2.001 0.866 0.712 0.970 0.657 CB 1.297 100 residues pruned to eliminate duplicates Z: 102 56.623 1.990 0.810 0.725 0.970 0.624 CB 1.317 102 residues pruned to eliminate duplicates Z: 65 47.492 2.053 0.837 0.679 0.953 0.750 CB 1.401 65 residues pruned to eliminate duplicates Z: 66 48.298 1.996 0.861 0.711 0.969 0.738 CB 1.374 66 residues pruned to eliminate duplicates Z: 63 51.923 2.041 0.922 0.743 0.984 0.694 CB 1.375 64 residues pruned to eliminate duplicates Z: 19 45.712 2.191 1.330 0.860 0.944 0.556 CA 1.643 19 residues pruned to eliminate duplicates Z: 102 55.638 2.010 0.776 0.719 0.970 0.752 CB 1.311 96 residues pruned to eliminate duplicates Z: 18 41.111 2.135 1.239 0.913 0.941 0.529 CA 1.569 18 residues pruned to eliminate duplicates Z: 59 50.214 2.089 0.808 0.723 1.000 0.724 CB 1.427 59 residues pruned to eliminate duplicates Z: 65 48.156 1.994 0.841 0.715 0.984 0.750 CB 1.371 65 residues pruned to eliminate duplicates Z: 26 30.668 2.102 0.939 0.584 0.920 0.600 CB 1.509 26 residues pruned to eliminate duplicates Z: 63 49.177 2.015 0.832 0.756 0.968 0.806 CB 1.392 63 residues pruned to eliminate duplicates Z: 63 49.468 2.047 0.805 0.740 0.984 0.806 CB 1.394 63 residues pruned to eliminate duplicates Z: 28 29.194 2.014 1.013 0.566 0.926 0.444 CB 1.403 28 residues pruned to eliminate duplicates Z: 60 53.844 2.055 0.919 0.781 0.983 0.797 CB 1.412 60 residues pruned to eliminate duplicates Z: 70 43.559 1.967 0.758 0.685 0.986 0.696 CB 1.298 70 residues pruned to eliminate duplicates Z: 66 46.606 1.988 0.738 0.735 1.000 0.738 CB 1.355 66 residues pruned to eliminate duplicates Z: 59 50.363 2.072 0.880 0.735 0.966 0.690 CB 1.423 59 residues pruned to eliminate duplicates Z: 64 49.847 2.018 0.846 0.727 0.968 0.794 CB 1.420 64 residues pruned to eliminate duplicates Z: 43 38.989 2.072 0.816 0.641 0.952 0.690 CA 1.471 43 residues pruned to eliminate duplicates Z: 43 37.769 2.074 0.806 0.631 0.929 0.714 CA 1.482 43 residues pruned to eliminate duplicates Z: 70 46.711 2.011 0.842 0.688 0.957 0.725 CB 1.336 70 residues pruned to eliminate duplicates Z: 63 49.989 2.019 0.863 0.753 0.984 0.790 CB 1.369 63 residues pruned to eliminate duplicates Z: 63 48.069 2.049 0.716 0.744 0.984 0.790 CB 1.418 63 residues pruned to eliminate duplicates Z: 64 47.039 2.008 0.759 0.724 0.968 0.778 CB 1.416 64 residues pruned to eliminate duplicates Z: 43 33.989 2.064 0.623 0.654 0.952 0.786 CA 1.425 43 residues pruned to eliminate duplicates Z: 30 33.120 2.121 0.664 0.622 1.000 0.759 CA 1.553 30 residues pruned to eliminate duplicates Z: 65 51.731 2.018 0.900 0.733 1.000 0.781 CB 1.367 65 residues pruned to eliminate duplicates Z: 46 39.410 2.097 0.721 0.676 0.978 0.822 CA 1.416 46 residues pruned to eliminate duplicates Z: 62 44.254 2.040 0.628 0.739 0.984 0.820 CB 1.400 62 residues pruned to eliminate duplicates Z: 65 49.445 2.035 0.843 0.722 0.984 0.781 CB 1.370 65 residues pruned to eliminate duplicates Z: 65 47.222 2.020 0.749 0.737 0.984 0.812 CB 1.372 65 residues pruned to eliminate duplicates Z: 87 43.669 2.002 0.688 0.631 0.907 0.686 CB 1.358 87 residues pruned to eliminate duplicates Z: 65 43.255 2.014 0.663 0.708 0.969 0.750 CB 1.379 65 residues pruned to eliminate duplicates Z: 61 50.505 2.030 0.846 0.765 0.983 0.800 CA 1.399 61 residues pruned to eliminate duplicates Z: 66 45.505 1.992 0.743 0.731 0.969 0.754 CB 1.362 66 residues pruned to eliminate duplicates Z: 65 45.954 2.024 0.712 0.723 0.984 0.766 CA 1.377 65 residues pruned to eliminate duplicates Z: 71 44.360 1.971 0.824 0.678 0.971 0.714 CB 1.289 71 residues pruned to eliminate duplicates Z: 64 48.915 2.038 0.757 0.728 1.000 0.810 CB 1.401 64 residues pruned to eliminate duplicates Z: 62 47.925 2.049 0.763 0.726 0.984 0.787 CA 1.408 62 residues pruned to eliminate duplicates Z: 102 57.953 2.011 0.810 0.722 0.980 0.703 CB 1.323 102 residues pruned to eliminate duplicates Z: 60 49.201 2.078 0.817 0.714 1.000 0.763 CB 1.397 60 residues pruned to eliminate duplicates Z: 64 48.790 2.039 0.761 0.729 0.984 0.810 CA 1.415 64 residues pruned to eliminate duplicates Z: 64 48.239 2.025 0.784 0.746 0.968 0.730 CB 1.394 64 residues pruned to eliminate duplicates Z: 66 49.195 2.000 0.829 0.742 0.985 0.723 CB 1.364 65 residues pruned to eliminate duplicates Z: 15 23.305 1.950 1.267 0.885 0.857 0.429 CB 1.187 15 residues pruned to eliminate duplicates Z: 64 50.547 2.046 0.883 0.723 0.984 0.778 CB 1.373 64 residues pruned to eliminate duplicates Z: 58 33.612 1.942 0.721 0.571 0.912 0.632 CB 1.364 58 residues pruned to eliminate duplicates Z: 66 47.258 2.001 0.820 0.721 0.985 0.692 CB 1.338 66 residues pruned to eliminate duplicates Z: 64 50.995 2.037 0.845 0.731 0.984 0.794 CB 1.411 64 residues pruned to eliminate duplicates Z: 57 51.463 2.087 0.850 0.758 0.982 0.804 CA 1.441 57 residues pruned to eliminate duplicates Z: 100 54.438 2.005 0.839 0.723 0.939 0.687 CB 1.292 100 residues pruned to eliminate duplicates Z: 60 50.779 2.033 0.827 0.783 1.000 0.797 CB 1.388 60 residues pruned to eliminate duplicates Z: 64 46.459 2.014 0.740 0.736 0.984 0.794 CB 1.373 64 residues pruned to eliminate duplicates Z: 61 46.611 2.063 0.761 0.710 0.967 0.750 CB 1.416 61 residues pruned to eliminate duplicates Z: 60 50.258 2.087 0.940 0.708 0.949 0.797 CB 1.410 60 residues pruned to eliminate duplicates Z: 97 56.444 2.020 0.807 0.732 0.969 0.708 CB 1.322 97 residues pruned to eliminate duplicates Z: 64 51.212 2.050 0.834 0.745 0.984 0.762 CB 1.401 65 residues pruned to eliminate duplicates Z: 15 17.708 1.808 0.677 0.903 1.000 0.786 CB 1.112 15 residues pruned to eliminate duplicates Z: 15 14.589 1.720 0.904 0.880 0.929 0.357 CB 0.929 14 residues pruned to eliminate duplicates Z: 6 4.030 1.753 0.034 0.292 1.000 0.600 CA 1.254 6 residues pruned to eliminate duplicates Z: 15 18.344 1.768 0.767 0.838 1.000 0.714 CA 1.173 13 residues pruned to eliminate duplicates Z: 14 20.688 1.823 0.763 0.860 1.000 0.538 CA 1.312 14 residues pruned to eliminate duplicates Z: 21 14.839 1.788 0.603 0.620 0.850 0.550 CB 1.216 15 residues pruned to eliminate duplicates Z: 12 15.185 1.824 0.495 0.901 1.000 0.818 CA 1.198 12 residues pruned to eliminate duplicates Z: 22 15.009 1.785 0.635 0.583 0.857 0.667 CB 1.209 22 residues pruned to eliminate duplicates Z: 14 17.850 1.846 0.704 0.893 0.846 0.692 CA 1.336 14 residues pruned to eliminate duplicates Z: 29 17.385 1.703 0.632 0.691 0.893 0.679 CB 1.112 35 residues pruned to eliminate duplicates Z: 16 17.396 1.773 0.694 0.762 0.933 0.467 CA 1.270 16 residues pruned to eliminate duplicates Z: 40 16.236 1.686 0.503 0.627 0.846 0.590 CB 1.076 40 residues pruned to eliminate duplicates Z: 15 13.499 1.812 0.787 0.679 0.786 0.286 CB 1.203 15 residues pruned to eliminate duplicates Z: 38 16.379 1.668 0.554 0.604 0.892 0.459 CB 1.055 38 residues pruned to eliminate duplicates Z: 21 14.009 1.796 0.583 0.597 0.800 0.550 CA 1.256 21 residues pruned to eliminate duplicates Z: 41 16.160 1.618 0.485 0.584 0.850 0.450 CB 1.154 35 residues pruned to eliminate duplicates Z: 13 21.465 1.850 0.843 0.911 1.000 0.667 CB 1.289 13 residues pruned to eliminate duplicates Z: 36 15.769 1.672 0.476 0.607 0.857 0.457 CB 1.139 36 residues pruned to eliminate duplicates Z: 38 15.322 1.675 0.401 0.610 0.892 0.459 CB 1.085 38 residues pruned to eliminate duplicates Z: 17 8.009 1.501 0.415 0.577 0.938 0.500 CB 0.934 17 residues pruned to eliminate duplicates Z: 18 8.038 1.479 0.483 0.673 0.882 0.588 CB 0.859 18 residues pruned to eliminate duplicates Z: 26 7.497 1.601 0.274 0.356 0.880 0.440 CB 0.976 28 residues pruned to eliminate duplicates Z: 15 10.687 1.434 0.509 0.684 0.929 0.786 CB 1.201 15 residues pruned to eliminate duplicates Z: 33 14.698 1.660 0.424 0.555 0.938 0.562 CB 1.112 33 residues pruned to eliminate duplicates Z: 12 7.132 1.497 0.273 0.644 0.909 0.545 CB 1.085 12 residues pruned to eliminate duplicates Z: 12 4.789 1.541 0.249 0.546 0.818 0.636 CB 0.876 12 residues pruned to eliminate duplicates Z: 15 9.146 1.481 0.463 0.554 1.000 0.571 CB 1.071 15 residues pruned to eliminate duplicates Z: 13 7.672 1.545 0.266 0.622 1.000 0.750 CB 1.009 13 residues pruned to eliminate duplicates Z: 36 15.122 1.670 0.334 0.620 0.914 0.543 CB 1.121 36 residues pruned to eliminate duplicates Z: 38 13.284 1.656 0.334 0.584 0.892 0.541 CB 1.022 38 residues pruned to eliminate duplicates Z: 20 12.394 1.543 0.657 0.685 0.947 0.526 CB 0.991 28 residues pruned to eliminate duplicates Z: 12 10.929 1.478 0.626 0.901 1.000 0.727 CB 0.979 13 residues pruned to eliminate duplicates 403 residues left after pruning, divided into chains as follows: A: 17 B: 21 C: 113 D: 10 E: 98 F: 102 G: 42 CC for partial structure against native data = 39.22 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.473, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.556, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 0.663, Connect. = 0.794 for dens.mod. cycle 3 = 0.300, Contrast = 0.676, Connect. = 0.797 for dens.mod. cycle 4 = 0.300, Contrast = 0.690, Connect. = 0.799 for dens.mod. cycle 5 = 0.300, Contrast = 0.694, Connect. = 0.800 for dens.mod. cycle 6 = 0.300, Contrast = 0.700, Connect. = 0.801 for dens.mod. cycle 7 = 0.300, Contrast = 0.703, Connect. = 0.802 for dens.mod. cycle 8 = 0.300, Contrast = 0.706, Connect. = 0.803 for dens.mod. cycle 9 = 0.300, Contrast = 0.707, Connect. = 0.804 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2965 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 570 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 27 35.812 2.176 0.588 0.892 0.962 0.577 CB 1.518 B: 23 61.080 2.374 1.322 0.943 1.000 0.591 CB 1.638 C: 26 33.919 2.187 0.703 0.878 0.960 0.640 CB 1.377 26 residues pruned to eliminate duplicates D: 18 47.829 2.341 1.298 0.899 0.941 0.765 CA 1.638 E: 18 48.476 2.339 1.285 0.915 0.941 0.765 CA 1.652 18 residues pruned to eliminate duplicates F: 19 53.898 2.234 1.490 0.922 0.944 0.611 CA 1.700 18 residues pruned to eliminate duplicates G: 15 28.599 2.115 0.997 0.852 1.000 0.786 CB 1.338 H: 22 60.088 2.465 1.077 0.931 1.000 0.667 CB 1.790 22 residues pruned to eliminate duplicates I: 25 50.705 2.301 1.287 0.871 0.917 0.500 CB 1.564 25 residues pruned to eliminate duplicates J: 22 57.037 2.442 1.080 0.942 1.000 0.524 CB 1.699 22 residues pruned to eliminate duplicates K: 20 41.694 2.192 1.323 0.912 1.000 0.684 CA 1.330 20 residues pruned to eliminate duplicates L: 22 57.908 2.458 0.999 0.945 1.000 0.619 CA 1.780 22 residues pruned to eliminate duplicates M: 23 51.862 2.370 1.004 0.882 0.955 0.682 CA 1.765 23 residues pruned to eliminate duplicates N: 17 45.397 2.368 1.236 0.881 0.938 0.562 CA 1.656 17 residues pruned to eliminate duplicates O: 18 52.588 2.351 1.394 0.906 0.941 0.529 CA 1.713 18 residues pruned to eliminate duplicates P: 15 29.709 2.249 0.922 0.840 0.929 0.500 CA 1.476 15 residues pruned to eliminate duplicates Q: 18 44.703 2.324 1.295 0.897 0.882 0.706 CA 1.649 18 residues pruned to eliminate duplicates R: 13 23.004 2.001 0.542 0.881 1.000 0.917 CB 1.558 S: 18 41.421 2.237 1.180 0.898 0.882 0.529 CB 1.669 18 residues pruned to eliminate duplicates T: 15 27.737 2.106 0.862 0.873 0.929 0.714 CB 1.483 15 residues pruned to eliminate duplicates U: 14 25.657 2.192 0.939 0.874 0.923 0.846 CA 1.320 V: 17 37.012 2.211 1.043 0.868 0.938 0.312 CB 1.597 W: 18 49.489 2.348 1.178 0.868 1.000 0.706 CA 1.715 18 residues pruned to eliminate duplicates X: 24 45.716 2.316 0.906 0.908 1.000 0.783 CB 1.533 24 residues pruned to eliminate duplicates Y: 14 25.757 2.177 0.709 0.916 1.000 0.846 CA 1.356 14 residues pruned to eliminate duplicates Z: 17 42.139 2.256 1.012 0.938 1.000 0.875 CA 1.614 17 residues pruned to eliminate duplicates Z: 16 35.801 2.475 0.983 0.914 0.800 0.667 CA 1.665 16 residues pruned to eliminate duplicates Z: 13 17.381 1.998 0.323 0.832 0.917 0.833 CB 1.555 13 residues pruned to eliminate duplicates Z: 20 40.884 2.164 0.925 0.904 1.000 0.684 CA 1.604 Z: 24 51.743 2.278 1.351 0.869 0.957 0.435 CB 1.538 24 residues pruned to eliminate duplicates Z: 30 55.806 2.241 1.254 0.862 0.966 0.862 CB 1.560 19 residues pruned to eliminate duplicates Z: 20 42.892 2.161 1.207 0.826 0.947 0.789 CA 1.642 20 residues pruned to eliminate duplicates Z: 14 26.176 2.204 0.848 0.831 0.923 0.769 CB 1.451 14 residues pruned to eliminate duplicates Z: 27 32.173 2.159 0.407 0.895 1.000 0.808 CB 1.489 27 residues pruned to eliminate duplicates Z: 14 25.289 2.086 0.651 0.929 1.000 1.000 CA 1.425 Z: 14 29.943 2.206 0.965 0.918 1.000 0.692 CB 1.351 14 residues pruned to eliminate duplicates Z: 16 21.946 1.970 0.779 0.824 1.000 0.800 CA 1.221 Z: 13 33.247 2.255 1.109 0.932 1.000 0.917 CB 1.408 13 residues pruned to eliminate duplicates Z: 21 39.898 2.090 1.117 0.921 0.950 0.350 CB 1.493 20 residues pruned to eliminate duplicates Z: 26 34.717 2.145 0.668 0.905 0.960 0.680 CB 1.438 26 residues pruned to eliminate duplicates Z: 23 52.222 2.366 0.975 0.917 1.000 0.818 CB 1.681 23 residues pruned to eliminate duplicates Z: 18 41.517 2.184 1.117 0.933 0.941 0.647 CA 1.615 18 residues pruned to eliminate duplicates Z: 25 52.134 2.280 1.194 0.916 1.000 0.542 CB 1.503 25 residues pruned to eliminate duplicates Z: 20 47.312 2.185 1.209 0.933 1.000 0.579 CB 1.569 21 residues pruned to eliminate duplicates Z: 15 20.911 2.058 0.450 0.890 1.000 0.929 CA 1.348 16 residues pruned to eliminate duplicates Z: 18 42.614 2.188 1.180 0.931 0.941 0.706 CA 1.609 17 residues pruned to eliminate duplicates Z: 18 41.101 2.190 1.095 0.938 1.000 0.765 CA 1.510 18 residues pruned to eliminate duplicates Z: 16 16.572 1.867 0.412 0.890 1.000 0.867 CA 1.167 15 residues pruned to eliminate duplicates Z: 17 39.595 2.249 1.032 0.926 1.000 1.000 CA 1.518 17 residues pruned to eliminate duplicates Z: 25 42.382 2.305 1.115 0.852 0.875 0.458 CB 1.500 25 residues pruned to eliminate duplicates Z: 10 17.812 2.156 0.692 0.867 1.000 0.889 CB 1.191 11 residues pruned to eliminate duplicates Z: 17 41.403 2.218 1.150 0.901 0.938 0.812 CA 1.652 17 residues pruned to eliminate duplicates Z: 14 27.967 2.147 1.016 0.876 0.923 0.769 CA 1.410 14 residues pruned to eliminate duplicates Z: 11 24.922 2.153 0.870 0.905 1.000 0.700 CB 1.394 11 residues pruned to eliminate duplicates Z: 26 23.982 1.979 0.589 0.866 0.920 0.560 CB 1.214 Z: 18 44.667 2.136 1.213 0.928 1.000 0.588 CB 1.606 18 residues pruned to eliminate duplicates Z: 26 38.676 2.238 0.637 0.920 1.000 0.680 CB 1.488 27 residues pruned to eliminate duplicates Z: 20 43.741 2.332 1.164 0.895 0.789 0.316 CB 1.806 20 residues pruned to eliminate duplicates Z: 18 45.126 2.164 1.215 0.928 1.000 1.000 CA 1.599 18 residues pruned to eliminate duplicates Z: 14 20.134 2.167 0.421 0.902 0.923 0.846 CB 1.402 14 residues pruned to eliminate duplicates Z: 20 41.221 2.183 1.268 0.839 1.000 0.684 CA 1.426 19 residues pruned to eliminate duplicates Z: 14 25.701 2.133 0.656 0.925 1.000 0.846 CA 1.417 15 residues pruned to eliminate duplicates Z: 15 24.552 2.195 0.396 0.912 1.000 0.857 CB 1.516 15 residues pruned to eliminate duplicates Z: 16 10.755 1.896 0.407 0.355 0.867 0.467 CA 1.404 Z: 26 41.571 2.230 0.759 0.936 1.000 0.720 CB 1.476 26 residues pruned to eliminate duplicates Z: 24 41.450 2.277 0.646 0.909 1.000 0.870 CA 1.637 22 residues pruned to eliminate duplicates Z: 26 47.615 2.226 0.944 0.933 1.000 0.600 CB 1.535 26 residues pruned to eliminate duplicates Z: 20 44.979 2.176 1.030 0.952 1.000 0.789 CA 1.608 20 residues pruned to eliminate duplicates Z: 15 23.963 2.037 0.955 0.857 0.857 0.786 CB 1.384 15 residues pruned to eliminate duplicates Z: 15 20.155 2.096 0.304 0.876 0.929 0.929 CB 1.542 Z: 20 34.870 2.160 0.688 0.898 1.000 0.632 CA 1.569 20 residues pruned to eliminate duplicates Z: 18 26.692 2.265 0.203 0.924 1.000 0.765 CB 1.668 18 residues pruned to eliminate duplicates Z: 27 32.255 2.105 0.511 0.905 1.000 0.769 CA 1.416 27 residues pruned to eliminate duplicates Z: 11 21.129 2.136 0.878 0.841 0.900 0.700 CA 1.380 11 residues pruned to eliminate duplicates Z: 21 38.073 2.154 0.838 0.918 1.000 0.450 CB 1.516 21 residues pruned to eliminate duplicates Z: 27 33.187 2.171 0.414 0.908 1.000 0.885 CA 1.506 27 residues pruned to eliminate duplicates Z: 22 40.426 2.352 0.726 0.904 0.952 0.714 CA 1.625 22 residues pruned to eliminate duplicates Z: 15 35.664 2.159 1.108 0.845 1.000 0.571 CB 1.557 15 residues pruned to eliminate duplicates Z: 26 38.115 2.211 0.636 0.920 1.000 0.640 CB 1.484 26 residues pruned to eliminate duplicates Z: 18 37.630 2.154 1.004 0.918 1.000 0.941 CA 1.491 18 residues pruned to eliminate duplicates Z: 25 28.818 2.070 0.723 0.884 0.917 0.667 CB 1.299 25 residues pruned to eliminate duplicates Z: 19 41.372 2.244 1.220 0.897 0.944 0.611 CA 1.484 19 residues pruned to eliminate duplicates Z: 18 37.056 2.177 0.967 0.902 0.941 0.824 CA 1.590 18 residues pruned to eliminate duplicates Z: 15 25.647 2.071 1.100 0.836 0.929 0.786 CB 1.271 14 residues pruned to eliminate duplicates Z: 25 31.216 2.073 0.706 0.921 0.958 0.833 CB 1.324 26 residues pruned to eliminate duplicates Z: 14 23.128 2.184 0.748 0.801 0.846 0.615 CB 1.526 14 residues pruned to eliminate duplicates Z: 10 21.561 2.206 0.866 0.895 1.000 0.889 CB 1.251 10 residues pruned to eliminate duplicates Z: 13 11.995 1.744 0.277 0.877 1.000 0.667 CB 1.130 Z: 15 29.580 2.033 0.880 0.874 1.000 0.786 CB 1.505 15 residues pruned to eliminate duplicates Z: 20 43.559 2.182 1.004 0.917 1.000 0.526 CA 1.613 20 residues pruned to eliminate duplicates Z: 18 48.946 2.345 1.299 0.892 0.941 0.706 CA 1.681 19 residues pruned to eliminate duplicates Z: 25 22.089 2.060 0.134 0.899 1.000 0.875 CB 1.379 25 residues pruned to eliminate duplicates Z: 17 23.284 1.893 0.725 0.848 0.938 0.812 CA 1.410 16 residues pruned to eliminate duplicates Z: 15 20.547 2.058 0.632 0.858 0.929 0.857 CA 1.296 15 residues pruned to eliminate duplicates Z: 18 36.522 2.232 0.947 0.921 0.941 0.882 CA 1.523 18 residues pruned to eliminate duplicates Z: 13 17.424 1.980 0.271 0.890 1.000 0.833 CB 1.438 13 residues pruned to eliminate duplicates Z: 15 19.335 2.041 0.171 0.924 1.000 0.929 CA 1.518 15 residues pruned to eliminate duplicates Z: 10 14.239 1.973 0.169 0.873 1.000 0.889 CB 1.499 10 residues pruned to eliminate duplicates Z: 9 18.293 1.934 0.681 0.895 1.000 0.750 CB 1.426 11 residues pruned to eliminate duplicates Z: 16 31.893 2.024 1.046 0.890 0.933 0.667 CA 1.533 16 residues pruned to eliminate duplicates Z: 14 18.165 2.070 0.186 0.904 1.000 0.846 CA 1.462 14 residues pruned to eliminate duplicates Z: 27 34.265 2.150 0.636 0.867 0.962 0.615 CB 1.453 27 residues pruned to eliminate duplicates Z: 19 33.094 2.108 0.915 0.922 0.889 0.611 CA 1.528 19 residues pruned to eliminate duplicates Z: 20 27.888 2.085 0.531 0.914 1.000 0.789 CA 1.417 20 residues pruned to eliminate duplicates Z: 27 45.593 2.156 1.004 0.927 1.000 0.692 CB 1.450 27 residues pruned to eliminate duplicates Z: 26 32.162 2.161 0.472 0.903 1.000 0.840 CA 1.442 26 residues pruned to eliminate duplicates Z: 45 32.671 2.053 0.788 0.608 0.886 0.636 CB 1.367 31 residues pruned to eliminate duplicates Z: 20 35.790 2.193 1.026 0.912 0.842 0.737 CB 1.554 20 residues pruned to eliminate duplicates Z: 20 31.177 2.011 0.915 0.847 1.000 0.632 CA 1.379 20 residues pruned to eliminate duplicates Z: 25 39.655 2.273 0.867 0.921 0.917 0.542 CB 1.465 25 residues pruned to eliminate duplicates Z: 11 7.000 1.638 0.538 0.526 0.800 0.600 CB 1.070 Z: 20 33.619 2.147 0.654 0.929 1.000 0.947 CA 1.519 20 residues pruned to eliminate duplicates Z: 25 31.279 2.053 0.703 0.916 0.958 0.750 CB 1.346 25 residues pruned to eliminate duplicates Z: 14 22.115 1.952 0.505 0.912 1.000 1.000 CB 1.479 13 residues pruned to eliminate duplicates Z: 15 24.733 2.098 0.703 0.911 0.857 0.714 CB 1.529 15 residues pruned to eliminate duplicates Z: 14 26.989 2.061 1.210 0.844 0.846 0.692 CA 1.446 14 residues pruned to eliminate duplicates Z: 16 24.133 2.047 0.915 0.888 0.933 0.867 CA 1.227 16 residues pruned to eliminate duplicates Z: 16 15.773 1.951 0.200 0.873 0.867 0.867 CA 1.462 16 residues pruned to eliminate duplicates Z: 12 14.770 1.873 0.519 0.808 0.909 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 17 39.378 2.304 1.191 0.853 0.875 0.375 CB 1.648 17 residues pruned to eliminate duplicates Z: 19 42.927 2.180 0.976 0.953 1.000 0.667 CA 1.617 19 residues pruned to eliminate duplicates Z: 15 26.400 2.166 0.749 0.869 0.929 0.429 CB 1.465 15 residues pruned to eliminate duplicates Z: 17 18.459 1.963 0.144 0.890 1.000 0.875 CA 1.478 17 residues pruned to eliminate duplicates Z: 13 42.161 2.281 1.391 0.937 1.000 0.833 CA 1.553 13 residues pruned to eliminate duplicates Z: 12 24.682 2.070 1.244 0.845 0.909 0.636 CA 1.311 12 residues pruned to eliminate duplicates Z: 15 24.834 2.042 0.777 0.909 1.000 0.857 CB 1.298 15 residues pruned to eliminate duplicates Z: 12 20.622 1.980 0.796 0.898 1.000 0.909 CA 1.251 Z: 15 28.173 2.101 1.287 0.858 0.929 0.500 CA 1.243 15 residues pruned to eliminate duplicates Z: 14 27.079 2.153 0.754 0.929 0.923 0.615 CB 1.508 14 residues pruned to eliminate duplicates Z: 9 21.533 2.039 1.204 0.893 1.000 0.875 CB 1.216 9 residues pruned to eliminate duplicates Z: 14 35.413 2.231 1.170 0.905 1.000 0.462 CB 1.444 14 residues pruned to eliminate duplicates Z: 16 29.815 2.056 0.888 0.884 0.933 0.867 CA 1.535 16 residues pruned to eliminate duplicates Z: 20 43.993 2.166 1.172 0.923 0.947 0.368 CB 1.591 20 residues pruned to eliminate duplicates Z: 29 43.076 2.122 1.017 0.838 0.964 0.821 CB 1.475 29 residues pruned to eliminate duplicates Z: 12 14.154 1.899 0.354 0.853 1.000 0.818 CB 1.227 12 residues pruned to eliminate duplicates Z: 25 23.871 2.046 0.265 0.906 0.958 0.833 CB 1.397 25 residues pruned to eliminate duplicates Z: 25 32.225 2.087 0.714 0.926 0.958 0.792 CB 1.345 25 residues pruned to eliminate duplicates Z: 9 5.476 1.882 0.171 0.655 0.750 0.500 CB 1.014 9 residues pruned to eliminate duplicates Z: 12 21.795 1.965 0.986 0.885 1.000 0.727 CA 1.216 12 residues pruned to eliminate duplicates Z: 16 17.575 1.903 0.343 0.860 0.933 0.867 CB 1.399 16 residues pruned to eliminate duplicates Z: 15 18.001 1.927 0.280 0.836 1.000 0.857 CA 1.461 15 residues pruned to eliminate duplicates Z: 11 20.906 2.011 1.056 0.845 0.900 0.900 CA 1.321 10 residues pruned to eliminate duplicates Z: 37 33.598 2.140 0.643 0.650 0.972 0.806 CB 1.424 34 residues pruned to eliminate duplicates Z: 26 34.432 2.236 0.453 0.901 1.000 0.840 CA 1.513 26 residues pruned to eliminate duplicates Z: 7 6.268 2.066 0.026 0.779 0.833 0.833 CB 1.133 7 residues pruned to eliminate duplicates Z: 13 34.801 2.374 0.983 0.915 1.000 0.583 CB 1.508 13 residues pruned to eliminate duplicates Z: 26 27.941 2.021 0.420 0.931 1.000 0.880 CB 1.361 26 residues pruned to eliminate duplicates Z: 27 25.560 2.104 0.346 0.850 0.962 0.731 CB 1.364 27 residues pruned to eliminate duplicates Z: 16 17.164 1.912 0.619 0.824 0.867 0.667 CA 1.248 16 residues pruned to eliminate duplicates Z: 16 21.681 1.975 0.607 0.843 0.933 0.733 CA 1.406 16 residues pruned to eliminate duplicates Z: 7 9.596 1.795 0.492 0.662 0.833 0.667 CA 1.511 Z: 14 14.058 1.763 0.728 0.806 0.769 0.692 CA 1.273 Z: 8 14.259 1.800 0.781 0.846 0.857 0.714 CB 1.458 8 residues pruned to eliminate duplicates Z: 15 24.116 2.032 0.868 0.815 0.929 0.714 CA 1.390 15 residues pruned to eliminate duplicates Z: 25 35.282 2.203 0.586 0.935 1.000 0.708 CB 1.436 25 residues pruned to eliminate duplicates Z: 7 10.186 1.750 0.332 0.894 1.000 0.833 CB 1.280 7 residues pruned to eliminate duplicates Z: 13 18.252 1.886 0.776 0.895 0.833 0.833 CB 1.353 14 residues pruned to eliminate duplicates Z: 19 43.516 2.277 1.309 0.912 0.944 0.778 CA 1.462 19 residues pruned to eliminate duplicates Z: 14 7.280 1.881 0.694 0.220 0.769 0.462 CB 1.145 Z: 14 15.022 1.899 0.359 0.660 1.000 0.769 CB 1.391 18 residues pruned to eliminate duplicates Z: 18 46.509 2.317 1.240 0.913 1.000 0.882 CA 1.538 18 residues pruned to eliminate duplicates Z: 15 27.026 2.072 0.875 0.849 0.929 0.857 CA 1.484 15 residues pruned to eliminate duplicates Z: 15 23.357 2.095 0.700 0.887 0.929 0.786 CB 1.361 15 residues pruned to eliminate duplicates Z: 22 42.336 2.395 0.830 0.916 0.905 0.571 CB 1.644 22 residues pruned to eliminate duplicates Z: 13 18.984 2.010 0.420 0.901 0.917 0.833 CB 1.495 13 residues pruned to eliminate duplicates Z: 12 18.303 1.991 0.835 0.848 0.909 0.909 CA 1.232 12 residues pruned to eliminate duplicates Z: 19 24.658 1.898 0.703 0.834 0.944 0.556 CA 1.427 19 residues pruned to eliminate duplicates Z: 88 73.819 2.227 1.053 0.678 0.931 0.655 CA 1.578 90 residues pruned to eliminate duplicates Z: 26 29.645 2.029 0.580 0.912 0.960 0.760 CB 1.364 25 residues pruned to eliminate duplicates Z: 11 23.165 2.144 0.889 0.931 1.000 1.000 CB 1.264 11 residues pruned to eliminate duplicates Z: 14 14.028 1.828 0.477 0.618 1.000 0.692 CB 1.289 14 residues pruned to eliminate duplicates Z: 25 35.034 2.220 0.571 0.899 1.000 0.833 CB 1.466 25 residues pruned to eliminate duplicates Z: 11 17.380 1.915 0.705 0.836 1.000 0.500 CB 1.260 11 residues pruned to eliminate duplicates Z: 15 34.577 2.069 1.051 0.874 1.000 0.643 CB 1.585 15 residues pruned to eliminate duplicates Z: 15 31.542 2.049 1.195 0.871 1.000 0.714 CA 1.367 15 residues pruned to eliminate duplicates Z: 19 43.396 2.239 1.257 0.927 1.000 0.778 CA 1.419 19 residues pruned to eliminate duplicates Z: 26 32.101 2.023 0.843 0.912 0.960 0.640 CB 1.271 26 residues pruned to eliminate duplicates Z: 11 16.109 1.946 0.422 0.879 1.000 0.900 CB 1.335 11 residues pruned to eliminate duplicates Z: 11 14.635 2.001 0.240 0.910 1.000 1.000 CB 1.323 11 residues pruned to eliminate duplicates Z: 26 29.178 2.001 0.526 0.906 1.000 0.840 CA 1.359 26 residues pruned to eliminate duplicates Z: 14 25.272 2.198 0.922 0.888 0.846 0.462 CB 1.412 14 residues pruned to eliminate duplicates Z: 15 30.369 2.019 1.165 0.852 1.000 0.643 CB 1.373 15 residues pruned to eliminate duplicates Z: 26 29.578 2.017 0.496 0.902 1.000 0.880 CA 1.399 26 residues pruned to eliminate duplicates Z: 10 11.682 1.704 0.339 0.920 1.000 0.889 CB 1.202 Z: 26 25.818 2.026 0.436 0.917 1.000 0.840 CB 1.253 26 residues pruned to eliminate duplicates Z: 26 31.107 2.038 0.797 0.899 0.920 0.640 CB 1.319 26 residues pruned to eliminate duplicates Z: 13 15.104 1.817 0.450 0.885 1.000 0.750 CA 1.195 13 residues pruned to eliminate duplicates Z: 26 31.031 2.154 0.510 0.890 1.000 0.920 CA 1.373 26 residues pruned to eliminate duplicates Z: 15 19.581 2.065 0.531 0.844 0.929 0.857 CA 1.326 15 residues pruned to eliminate duplicates Z: 27 45.905 2.314 1.115 0.582 1.000 0.654 CA 1.701 27 residues pruned to eliminate duplicates Z: 10 9.854 1.659 0.223 0.877 1.000 0.889 CB 1.175 10 residues pruned to eliminate duplicates Z: 12 11.150 2.076 0.450 0.347 1.000 0.364 CB 1.319 12 residues pruned to eliminate duplicates Z: 14 13.746 1.778 0.530 0.831 0.923 0.692 CB 1.141 14 residues pruned to eliminate duplicates Z: 26 28.063 2.008 0.751 0.885 0.960 0.600 CB 1.201 26 residues pruned to eliminate duplicates Z: 13 13.769 1.807 0.419 0.832 1.000 0.583 CA 1.164 13 residues pruned to eliminate duplicates Z: 19 14.821 1.863 0.604 0.724 0.833 0.611 CB 1.146 19 residues pruned to eliminate duplicates Z: 26 30.043 2.151 0.527 0.872 0.920 0.600 CB 1.449 26 residues pruned to eliminate duplicates Z: 20 29.118 2.119 0.565 0.903 1.000 0.789 CA 1.436 20 residues pruned to eliminate duplicates Z: 45 37.408 2.089 0.774 0.624 0.932 0.614 CB 1.453 45 residues pruned to eliminate duplicates Z: 55 44.603 2.145 0.663 0.673 0.944 0.704 CB 1.536 67 residues pruned to eliminate duplicates Z: 26 32.894 2.044 0.756 0.900 0.960 0.640 CB 1.364 26 residues pruned to eliminate duplicates Z: 17 16.976 1.699 0.864 0.902 0.938 0.812 CB 1.019 Z: 20 17.359 1.810 0.511 0.623 0.895 0.632 CB 1.449 20 residues pruned to eliminate duplicates Z: 33 41.224 2.205 0.876 0.677 0.969 0.781 CA 1.545 33 residues pruned to eliminate duplicates Z: 13 18.856 1.907 0.696 0.889 0.917 0.583 CA 1.321 13 residues pruned to eliminate duplicates Z: 25 28.500 2.038 0.432 0.885 1.000 0.792 CB 1.439 25 residues pruned to eliminate duplicates Z: 14 26.263 1.999 0.740 0.914 1.000 0.692 CB 1.482 14 residues pruned to eliminate duplicates Z: 14 33.397 2.223 0.929 0.899 0.923 0.615 CB 1.673 14 residues pruned to eliminate duplicates Z: 25 26.559 2.060 0.596 0.890 0.917 0.750 CB 1.294 25 residues pruned to eliminate duplicates Z: 26 23.173 1.997 0.302 0.915 0.960 0.920 CB 1.312 26 residues pruned to eliminate duplicates Z: 27 25.836 1.996 0.447 0.907 1.000 0.808 CB 1.247 27 residues pruned to eliminate duplicates Z: 10 17.990 1.986 0.444 0.911 1.000 0.778 CB 1.482 11 residues pruned to eliminate duplicates Z: 20 20.739 2.074 0.706 0.532 1.000 0.737 CB 1.303 20 residues pruned to eliminate duplicates Z: 26 34.833 2.041 0.892 0.907 0.960 0.720 CB 1.336 26 residues pruned to eliminate duplicates Z: 6 3.072 1.641 -0.077 0.799 1.000 0.800 CB 0.698 Z: 26 30.350 2.015 0.756 0.919 0.920 0.760 CB 1.314 26 residues pruned to eliminate duplicates Z: 15 34.505 2.109 1.175 0.929 1.000 0.643 CA 1.407 15 residues pruned to eliminate duplicates Z: 25 38.137 2.258 0.772 0.927 0.917 0.583 CB 1.487 25 residues pruned to eliminate duplicates Z: 15 27.140 2.014 1.018 0.904 1.000 0.929 CB 1.271 15 residues pruned to eliminate duplicates Z: 12 13.817 1.751 0.415 0.833 1.000 0.909 CB 1.262 13 residues pruned to eliminate duplicates Z: 7 5.956 1.485 0.231 0.832 1.000 0.833 CA 0.998 Z: 17 28.502 1.805 1.194 0.903 1.000 0.812 CB 1.283 17 residues pruned to eliminate duplicates 6 1.642 1.690 -0.099 0.284 0.600 0.400 CA 1.025 ? Z: 10 10.108 1.845 -0.038 0.895 1.000 0.889 CB 1.360 10 residues pruned to eliminate duplicates Z: 14 22.391 2.018 1.073 0.922 0.923 0.462 CB 1.131 14 residues pruned to eliminate duplicates Z: 13 15.927 1.999 0.232 0.888 1.000 0.917 CB 1.345 13 residues pruned to eliminate duplicates Z: 82 58.613 2.148 0.787 0.664 0.938 0.691 CA 1.554 83 residues pruned to eliminate duplicates Z: 15 27.283 1.989 1.237 0.891 0.929 0.286 CB 1.269 15 residues pruned to eliminate duplicates Z: 15 27.919 2.015 1.141 0.871 0.929 0.500 CB 1.359 15 residues pruned to eliminate duplicates Z: 26 25.150 2.147 0.168 0.903 0.960 0.800 CA 1.489 26 residues pruned to eliminate duplicates Z: 7 4.365 1.609 0.187 0.404 0.833 0.833 CA 1.238 Z: 10 7.614 1.662 0.245 0.884 0.889 0.889 CB 0.997 10 residues pruned to eliminate duplicates Z: 13 15.840 1.863 0.566 0.882 0.917 0.750 CB 1.238 13 residues pruned to eliminate duplicates Z: 14 34.891 2.220 1.004 0.899 1.000 0.615 CB 1.554 14 residues pruned to eliminate duplicates Z: 22 30.889 2.024 0.654 0.927 1.000 0.857 CB 1.411 22 residues pruned to eliminate duplicates Z: 8 10.676 1.870 0.180 0.880 1.000 0.857 CB 1.324 8 residues pruned to eliminate duplicates Z: 26 28.670 2.033 0.586 0.910 1.000 0.840 CB 1.261 26 residues pruned to eliminate duplicates Z: 16 30.331 2.154 1.169 0.874 0.933 0.800 CA 1.307 16 residues pruned to eliminate duplicates Z: 13 41.731 2.303 1.405 0.936 1.000 0.917 CA 1.514 13 residues pruned to eliminate duplicates Z: 26 16.827 1.920 0.091 0.896 1.000 0.920 CA 1.151 25 residues pruned to eliminate duplicates Z: 12 27.120 2.091 0.770 0.914 1.000 0.636 CB 1.563 13 residues pruned to eliminate duplicates Z: 26 32.952 2.031 0.786 0.911 0.960 0.640 CB 1.341 26 residues pruned to eliminate duplicates Z: 25 26.087 2.056 0.359 0.913 1.000 0.875 CB 1.348 25 residues pruned to eliminate duplicates Z: 26 46.664 2.223 0.970 0.951 1.000 0.840 CB 1.469 26 residues pruned to eliminate duplicates Z: 25 30.365 2.106 0.732 0.915 0.917 0.708 CB 1.310 25 residues pruned to eliminate duplicates Z: 17 26.695 1.962 1.025 0.883 0.938 0.750 CA 1.295 17 residues pruned to eliminate duplicates Z: 19 48.608 2.267 1.395 0.940 1.000 0.889 CA 1.464 19 residues pruned to eliminate duplicates Z: 15 30.773 2.015 1.213 0.877 1.000 0.429 CB 1.339 15 residues pruned to eliminate duplicates Z: 13 15.353 1.834 0.465 0.876 1.000 0.833 CA 1.199 13 residues pruned to eliminate duplicates Z: 76 35.557 1.951 0.696 0.591 0.880 0.613 CB 1.292 68 residues pruned to eliminate duplicates Z: 58 40.944 2.097 0.825 0.661 0.912 0.491 CB 1.338 59 residues pruned to eliminate duplicates Z: 35 37.285 2.063 0.857 0.788 0.941 0.647 CB 1.377 31 residues pruned to eliminate duplicates Z: 6 2.718 1.194 0.495 0.555 0.800 0.600 CB 0.807 6 residues pruned to eliminate duplicates Z: 9 17.896 1.989 0.479 0.921 1.000 0.500 CB 1.513 9 residues pruned to eliminate duplicates Z: 26 35.614 2.206 0.533 0.931 1.000 0.880 CB 1.471 26 residues pruned to eliminate duplicates Z: 15 28.204 1.920 1.248 0.908 0.857 0.357 CB 1.447 15 residues pruned to eliminate duplicates Z: 16 14.142 2.020 -0.023 0.864 0.933 0.800 CB 1.453 16 residues pruned to eliminate duplicates Z: 8 5.764 1.684 0.328 0.301 1.000 0.571 CA 1.216 Z: 25 26.539 2.059 0.384 0.907 1.000 0.917 CB 1.351 25 residues pruned to eliminate duplicates Z: 6 4.267 1.637 -0.232 0.812 1.000 0.800 CB 1.157 6 residues pruned to eliminate duplicates Z: 15 16.222 1.771 0.515 0.875 1.000 1.000 CB 1.175 15 residues pruned to eliminate duplicates Z: 13 16.778 1.850 0.542 0.906 1.000 0.917 CA 1.207 13 residues pruned to eliminate duplicates Z: 19 21.257 2.091 0.324 0.922 0.944 0.833 CB 1.347 20 residues pruned to eliminate duplicates Z: 18 44.573 2.233 1.265 0.919 0.941 0.706 CA 1.601 18 residues pruned to eliminate duplicates Z: 14 35.622 2.175 1.590 0.939 0.923 0.615 CB 1.321 14 residues pruned to eliminate duplicates Z: 37 24.328 2.002 0.424 0.708 0.917 0.722 CB 1.283 37 residues pruned to eliminate duplicates Z: 13 31.924 2.250 1.457 0.896 0.833 0.583 CA 1.433 13 residues pruned to eliminate duplicates Z: 14 37.208 2.266 1.233 0.915 1.000 0.615 CA 1.442 14 residues pruned to eliminate duplicates Z: 10 14.775 1.897 0.345 0.928 1.000 1.000 CB 1.352 10 residues pruned to eliminate duplicates Z: 12 14.331 1.830 0.486 0.877 1.000 0.818 CA 1.154 12 residues pruned to eliminate duplicates Z: 26 26.621 2.021 0.386 0.919 0.960 0.880 CB 1.396 26 residues pruned to eliminate duplicates Z: 7 2.070 1.592 0.406 0.232 0.667 0.500 CB 0.774 7 residues pruned to eliminate duplicates Z: 17 17.658 1.926 0.807 0.585 0.875 0.750 CA 1.336 17 residues pruned to eliminate duplicates Z: 30 46.174 2.268 0.825 0.805 0.966 0.862 CA 1.644 30 residues pruned to eliminate duplicates Z: 19 34.050 2.084 1.023 0.848 1.000 0.722 CA 1.413 19 residues pruned to eliminate duplicates Z: 12 12.943 1.855 0.235 0.824 1.000 0.818 CB 1.286 12 residues pruned to eliminate duplicates Z: 24 31.281 2.285 0.465 0.929 1.000 0.913 CA 1.364 24 residues pruned to eliminate duplicates Z: 11 8.896 1.639 0.521 0.830 0.900 0.600 CB 0.943 6 residues pruned to eliminate duplicates Z: 16 19.284 1.969 0.521 0.751 1.000 0.867 CB 1.329 16 residues pruned to eliminate duplicates Z: 23 58.710 2.394 1.173 0.955 1.000 0.500 CB 1.654 23 residues pruned to eliminate duplicates Z: 15 9.172 1.719 0.349 0.790 0.786 0.643 CA 1.042 15 residues pruned to eliminate duplicates Z: 9 16.063 1.952 0.455 0.902 1.000 0.500 CB 1.426 9 residues pruned to eliminate duplicates Z: 51 50.918 2.112 0.886 0.726 1.000 0.760 CB 1.474 51 residues pruned to eliminate duplicates Z: 28 40.985 2.294 0.928 0.595 1.000 0.704 CA 1.628 28 residues pruned to eliminate duplicates Z: 38 33.449 2.051 0.883 0.645 0.946 0.676 CB 1.314 38 residues pruned to eliminate duplicates Z: 14 12.231 1.841 0.642 0.913 0.923 0.846 CB 0.861 14 residues pruned to eliminate duplicates Z: 9 9.642 1.949 0.499 0.496 1.000 0.500 CB 1.172 4 residues pruned to eliminate duplicates Z: 11 23.292 2.031 0.851 0.927 1.000 1.000 CA 1.373 11 residues pruned to eliminate duplicates Z: 19 44.631 2.167 1.144 0.933 1.000 0.389 CB 1.580 19 residues pruned to eliminate duplicates Z: 6 5.356 1.599 0.643 0.667 0.800 0.800 CB 0.977 Z: 24 44.584 2.226 1.064 0.926 0.957 0.261 CB 1.484 24 residues pruned to eliminate duplicates Z: 9 9.904 1.726 0.156 0.898 1.000 0.750 CB 1.256 9 residues pruned to eliminate duplicates Z: 13 20.924 1.934 0.651 0.857 1.000 0.833 CB 1.394 13 residues pruned to eliminate duplicates Z: 10 6.277 1.648 0.357 0.401 0.778 0.556 CB 1.336 10 residues pruned to eliminate duplicates Z: 26 28.157 2.097 0.552 0.891 1.000 0.880 CA 1.244 26 residues pruned to eliminate duplicates Z: 31 26.555 2.086 0.525 0.641 0.933 0.667 CA 1.431 31 residues pruned to eliminate duplicates Z: 17 18.468 1.807 0.815 0.798 0.875 0.750 CA 1.240 17 residues pruned to eliminate duplicates Z: 15 24.034 2.201 0.468 0.939 1.000 0.929 CA 1.381 15 residues pruned to eliminate duplicates Z: 34 13.693 1.694 0.400 0.550 0.848 0.303 CB 1.128 20 residues pruned to eliminate duplicates Z: 15 13.368 1.752 0.557 0.930 1.000 0.786 CB 0.916 15 residues pruned to eliminate duplicates Z: 14 29.622 2.122 1.009 0.921 1.000 0.846 CB 1.356 14 residues pruned to eliminate duplicates Z: 8 10.810 1.712 0.269 0.913 1.000 1.000 CB 1.331 8 residues pruned to eliminate duplicates Z: 41 18.635 1.756 0.514 0.641 0.850 0.525 CB 1.143 39 residues pruned to eliminate duplicates Z: 26 26.175 2.013 0.448 0.863 0.960 0.880 CB 1.373 26 residues pruned to eliminate duplicates Z: 15 27.412 1.936 1.098 0.893 1.000 0.571 CB 1.295 15 residues pruned to eliminate duplicates Z: 14 8.890 1.452 0.341 0.778 0.923 0.769 CB 1.073 14 residues pruned to eliminate duplicates Z: 6 8.214 1.796 0.653 0.676 1.000 0.800 CB 1.052 Z: 25 32.612 2.240 0.472 0.928 1.000 1.000 CA 1.413 25 residues pruned to eliminate duplicates Z: 14 14.605 1.799 0.582 0.923 1.000 0.538 CB 1.000 14 residues pruned to eliminate duplicates Z: 35 21.557 1.993 0.214 0.728 0.941 0.824 CB 1.322 35 residues pruned to eliminate duplicates Z: 26 32.237 2.187 0.411 0.897 1.000 0.800 CA 1.495 26 residues pruned to eliminate duplicates Z: 12 10.098 1.984 0.471 0.305 0.818 0.636 CA 1.584 11 residues pruned to eliminate duplicates Z: 11 9.518 1.552 0.408 0.872 1.000 0.600 CB 1.004 11 residues pruned to eliminate duplicates Z: 25 29.850 2.067 0.507 0.910 1.000 0.875 CB 1.386 25 residues pruned to eliminate duplicates Z: 15 12.673 1.944 0.714 0.608 0.643 0.571 CB 1.426 15 residues pruned to eliminate duplicates Z: 11 18.877 2.045 0.576 0.891 1.000 0.900 CA 1.332 11 residues pruned to eliminate duplicates Z: 23 46.373 2.342 0.859 0.940 1.000 0.955 CA 1.577 23 residues pruned to eliminate duplicates Z: 11 17.564 2.071 0.374 0.935 1.000 1.000 CA 1.360 11 residues pruned to eliminate duplicates Z: 14 14.502 1.897 0.681 0.818 0.846 0.692 CB 1.131 14 residues pruned to eliminate duplicates Z: 9 2.528 1.648 0.210 0.310 0.625 0.375 CB 0.886 Z: 12 17.450 1.709 0.731 0.889 1.000 0.545 CB 1.280 12 residues pruned to eliminate duplicates Z: 15 28.582 2.116 0.834 0.912 1.000 0.786 CB 1.395 15 residues pruned to eliminate duplicates Z: 11 14.861 1.920 0.705 0.842 0.800 0.300 CB 1.337 11 residues pruned to eliminate duplicates Z: 6 2.262 1.227 0.513 0.270 0.800 0.400 CA 0.885 Z: 6 3.786 1.471 0.045 0.439 1.000 0.600 N 1.173 Z: 14 9.008 1.932 0.370 0.270 0.923 0.462 CB 1.328 12 residues pruned to eliminate duplicates Z: 16 15.727 1.723 0.609 0.900 0.933 0.733 CB 1.121 16 residues pruned to eliminate duplicates Z: 16 13.183 1.902 0.323 0.685 0.933 0.800 CB 1.223 16 residues pruned to eliminate duplicates Z: 13 36.969 2.196 1.462 0.926 0.917 0.667 CB 1.510 13 residues pruned to eliminate duplicates Z: 16 11.177 1.679 0.238 0.856 1.000 0.800 CB 1.024 16 residues pruned to eliminate duplicates Z: 16 15.060 1.709 0.863 0.851 0.933 0.533 CB 0.969 16 residues pruned to eliminate duplicates Z: 27 31.992 2.146 0.653 0.875 0.923 0.654 CB 1.394 27 residues pruned to eliminate duplicates Z: 29 18.731 1.711 0.612 0.590 0.964 0.500 CB 1.221 29 residues pruned to eliminate duplicates Z: 27 31.009 2.159 0.492 0.894 0.923 0.808 CA 1.467 27 residues pruned to eliminate duplicates Z: 22 18.836 1.811 0.448 0.712 0.905 0.714 CB 1.429 22 residues pruned to eliminate duplicates Z: 16 18.875 1.900 0.785 0.807 0.933 0.600 CB 1.178 16 residues pruned to eliminate duplicates Z: 66 65.335 2.201 1.022 0.733 0.954 0.631 CA 1.549 66 residues pruned to eliminate duplicates Z: 12 4.715 1.514 0.034 0.497 0.909 0.545 CB 1.002 4 residues pruned to eliminate duplicates Z: 10 11.782 1.682 0.335 0.878 1.000 0.778 CB 1.269 10 residues pruned to eliminate duplicates Z: 14 14.491 1.891 0.388 0.629 1.000 0.769 CB 1.356 Z: 25 30.192 2.017 0.627 0.924 1.000 0.625 CB 1.319 25 residues pruned to eliminate duplicates Z: 15 12.285 1.789 0.518 0.932 0.929 0.857 CB 0.909 15 residues pruned to eliminate duplicates Z: 14 13.684 1.810 0.697 0.930 0.923 0.615 CB 0.935 14 residues pruned to eliminate duplicates Z: 38 25.378 1.965 0.411 0.747 0.973 0.784 CB 1.240 33 residues pruned to eliminate duplicates Z: 20 18.236 1.947 0.517 0.610 0.947 0.579 CA 1.348 20 residues pruned to eliminate duplicates Z: 15 22.906 2.108 0.812 0.907 1.000 0.857 CA 1.139 15 residues pruned to eliminate duplicates Z: 41 34.554 1.963 0.681 0.801 1.000 0.900 CB 1.273 41 residues pruned to eliminate duplicates Z: 16 25.680 1.975 1.048 0.858 0.933 0.733 CA 1.294 16 residues pruned to eliminate duplicates Z: 6 2.383 1.403 0.222 0.285 0.800 0.200 CB 0.990 5 residues pruned to eliminate duplicates Z: 41 29.387 1.988 0.730 0.643 0.850 0.600 CA 1.390 41 residues pruned to eliminate duplicates Z: 13 32.575 2.186 1.301 0.922 1.000 0.750 CA 1.315 13 residues pruned to eliminate duplicates Z: 9 10.006 1.703 0.228 0.924 1.000 0.875 CB 1.188 9 residues pruned to eliminate duplicates Z: 11 14.496 1.958 0.654 0.820 0.900 0.700 CB 1.191 11 residues pruned to eliminate duplicates Z: 38 43.188 2.186 0.929 0.720 0.919 0.486 CB 1.502 38 residues pruned to eliminate duplicates Z: 14 21.519 1.917 0.711 0.804 0.923 0.462 CB 1.512 14 residues pruned to eliminate duplicates Z: 57 60.579 2.253 1.023 0.672 0.964 0.714 CA 1.572 57 residues pruned to eliminate duplicates Z: 9 11.871 1.738 0.572 0.893 1.000 0.625 CB 1.102 9 residues pruned to eliminate duplicates Z: 14 32.748 2.229 1.154 0.868 1.000 0.846 CB 1.382 14 residues pruned to eliminate duplicates Z: 15 21.281 2.116 0.704 0.829 0.857 0.571 CB 1.385 15 residues pruned to eliminate duplicates Z: 27 25.860 1.937 0.652 0.812 0.962 0.731 CB 1.256 27 residues pruned to eliminate duplicates Z: 15 13.896 2.142 0.620 0.363 0.857 0.500 CB 1.447 15 residues pruned to eliminate duplicates 6 1.811 1.192 0.118 0.454 0.800 0.600 CA 0.797 ? Z: 17 10.719 1.569 0.356 0.761 1.000 0.688 CB 0.999 17 residues pruned to eliminate duplicates Z: 21 17.934 2.146 0.523 0.462 0.850 0.600 CA 1.500 22 residues pruned to eliminate duplicates Z: 9 3.612 1.376 0.592 0.316 0.750 0.375 C 0.953 Z: 10 2.647 1.366 0.553 0.396 0.556 0.444 CB 0.836 8 residues pruned to eliminate duplicates Z: 43 48.353 2.242 0.893 0.632 0.976 0.643 CA 1.591 43 residues pruned to eliminate duplicates Z: 9 11.026 1.723 0.306 0.830 1.000 0.625 CB 1.302 9 residues pruned to eliminate duplicates 7 1.539 1.126 0.109 0.342 1.000 0.500 CA 0.597 ? Z: 16 14.667 1.741 0.671 0.904 0.933 0.733 CB 0.994 16 residues pruned to eliminate duplicates Z: 16 15.819 1.833 0.596 0.573 0.933 0.533 CB 1.395 16 residues pruned to eliminate duplicates Z: 7 5.692 1.588 0.544 0.531 0.833 0.667 CA 1.103 6 residues pruned to eliminate duplicates Z: 12 17.671 1.863 1.063 0.875 0.909 0.545 CB 1.109 12 residues pruned to eliminate duplicates Z: 12 8.222 1.551 0.493 0.552 0.909 0.727 CB 1.119 11 residues pruned to eliminate duplicates Z: 46 44.976 2.062 0.909 0.761 0.978 0.600 CB 1.381 46 residues pruned to eliminate duplicates Z: 47 42.629 2.136 0.792 0.732 0.935 0.826 CA 1.426 47 residues pruned to eliminate duplicates Z: 35 24.483 1.907 0.864 0.473 0.882 0.559 CA 1.376 38 residues pruned to eliminate duplicates Z: 15 29.652 2.113 0.826 0.877 1.000 0.786 CA 1.491 15 residues pruned to eliminate duplicates Z: 44 44.137 2.200 0.902 0.617 0.977 0.744 CA 1.475 44 residues pruned to eliminate duplicates Z: 14 14.950 1.820 0.636 0.716 0.923 0.615 CA 1.241 14 residues pruned to eliminate duplicates Z: 8 5.101 1.591 0.357 0.551 0.714 0.571 CA 1.189 Z: 13 8.431 1.528 0.293 0.809 0.917 0.833 CB 1.026 13 residues pruned to eliminate duplicates Z: 15 12.115 1.755 0.620 0.915 0.929 0.714 CB 0.867 15 residues pruned to eliminate duplicates Z: 13 18.815 1.921 0.488 0.928 1.000 0.667 CB 1.331 13 residues pruned to eliminate duplicates Z: 13 17.920 1.889 0.473 0.918 1.000 0.500 CB 1.312 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 8 2.076 1.402 0.053 0.174 0.857 0.286 N 0.920 Z: 15 22.112 1.916 0.808 0.848 0.857 0.571 CB 1.477 15 residues pruned to eliminate duplicates Z: 19 17.120 1.901 0.626 0.697 0.778 0.611 CB 1.402 19 residues pruned to eliminate duplicates Z: 21 20.556 1.906 0.577 0.635 0.850 0.550 CB 1.586 21 residues pruned to eliminate duplicates Z: 17 20.913 1.958 0.488 0.683 0.938 0.688 CB 1.618 17 residues pruned to eliminate duplicates Z: 17 20.278 1.921 0.465 0.675 0.938 0.750 CB 1.636 17 residues pruned to eliminate duplicates Z: 19 18.414 1.817 0.626 0.635 0.889 0.556 CB 1.456 19 residues pruned to eliminate duplicates Z: 18 19.443 1.904 0.526 0.630 0.941 0.529 CB 1.526 18 residues pruned to eliminate duplicates Z: 17 21.804 1.939 0.668 0.653 0.938 0.562 CB 1.559 15 residues pruned to eliminate duplicates Z: 13 27.855 1.959 0.969 0.910 1.000 0.583 CB 1.479 15 residues pruned to eliminate duplicates Z: 15 26.328 1.920 0.889 0.870 1.000 0.643 CA 1.416 15 residues pruned to eliminate duplicates Z: 12 28.593 2.072 0.823 0.913 1.000 0.727 CB 1.615 13 residues pruned to eliminate duplicates Z: 12 27.941 2.053 0.920 0.931 1.000 0.636 CB 1.494 12 residues pruned to eliminate duplicates Z: 18 19.119 1.859 0.780 0.676 0.824 0.353 CB 1.447 14 residues pruned to eliminate duplicates Z: 20 28.112 2.134 0.519 0.933 1.000 0.789 CA 1.389 20 residues pruned to eliminate duplicates Z: 21 41.228 2.181 1.072 0.864 0.950 0.750 CA 1.575 21 residues pruned to eliminate duplicates Z: 23 37.376 2.120 1.005 0.878 0.909 0.455 CA 1.497 23 residues pruned to eliminate duplicates Z: 21 34.881 2.172 0.904 0.877 0.850 0.650 CA 1.612 21 residues pruned to eliminate duplicates Z: 22 38.833 2.154 0.824 0.872 1.000 0.619 CA 1.573 22 residues pruned to eliminate duplicates Z: 20 46.432 2.194 1.129 0.932 1.000 0.579 CA 1.592 20 residues pruned to eliminate duplicates Z: 22 45.155 2.166 1.099 0.885 1.000 0.524 CB 1.565 22 residues pruned to eliminate duplicates Z: 22 45.260 2.155 1.094 0.881 1.000 0.381 CA 1.584 20 residues pruned to eliminate duplicates Z: 22 36.329 2.098 1.119 0.910 0.905 0.476 CB 1.398 22 residues pruned to eliminate duplicates Z: 24 36.174 2.051 1.076 0.850 0.870 0.348 CB 1.509 24 residues pruned to eliminate duplicates Z: 22 44.397 2.123 1.318 0.833 0.952 0.286 CB 1.551 22 residues pruned to eliminate duplicates Z: 21 41.630 2.154 1.263 0.934 0.900 0.350 CB 1.480 23 residues pruned to eliminate duplicates Z: 14 29.227 2.184 1.108 0.799 0.923 0.231 CB 1.468 14 residues pruned to eliminate duplicates Z: 15 30.496 2.203 1.158 0.852 0.786 0.429 CB 1.613 13 residues pruned to eliminate duplicates Z: 21 46.298 2.178 1.301 0.908 0.950 0.450 CB 1.545 21 residues pruned to eliminate duplicates Z: 18 33.318 2.114 1.168 0.798 0.941 0.294 CB 1.443 18 residues pruned to eliminate duplicates Z: 22 49.775 2.149 1.274 0.871 1.000 0.381 CB 1.620 22 residues pruned to eliminate duplicates Z: 20 52.967 2.207 1.326 0.928 1.000 0.421 CA 1.658 20 residues pruned to eliminate duplicates Z: 20 44.920 2.176 1.458 0.925 0.842 0.316 CB 1.606 20 residues pruned to eliminate duplicates Z: 35 34.697 2.124 0.521 0.766 1.000 0.853 CB 1.455 35 residues pruned to eliminate duplicates Z: 37 28.521 2.030 0.538 0.713 0.917 0.694 CB 1.368 37 residues pruned to eliminate duplicates Z: 35 32.274 2.137 0.588 0.723 0.941 0.706 CB 1.418 35 residues pruned to eliminate duplicates Z: 32 33.448 2.196 0.489 0.773 0.935 0.710 CB 1.543 32 residues pruned to eliminate duplicates Z: 29 32.756 2.117 0.649 0.850 0.929 0.750 CB 1.414 29 residues pruned to eliminate duplicates Z: 29 37.229 2.148 0.678 0.833 0.964 0.750 CB 1.518 29 residues pruned to eliminate duplicates Z: 32 38.491 2.192 0.683 0.773 0.968 0.710 CB 1.521 32 residues pruned to eliminate duplicates Z: 34 32.432 2.122 0.528 0.774 0.939 0.727 CB 1.455 34 residues pruned to eliminate duplicates Z: 36 27.591 2.076 0.474 0.712 0.943 0.686 CB 1.334 36 residues pruned to eliminate duplicates Z: 37 34.357 2.104 0.707 0.697 0.944 0.556 CB 1.411 37 residues pruned to eliminate duplicates Z: 37 34.379 2.098 0.852 0.711 0.889 0.500 CB 1.370 37 residues pruned to eliminate duplicates Z: 73 51.916 2.112 0.872 0.736 0.889 0.542 CB 1.408 77 residues pruned to eliminate duplicates Z: 25 38.101 2.243 0.647 0.924 1.000 0.750 CB 1.479 25 residues pruned to eliminate duplicates Z: 33 37.514 2.117 0.808 0.752 0.969 0.594 CB 1.428 33 residues pruned to eliminate duplicates Z: 35 36.800 2.134 0.902 0.732 0.912 0.500 CB 1.384 35 residues pruned to eliminate duplicates Z: 35 36.592 2.120 0.859 0.734 0.941 0.500 CB 1.372 35 residues pruned to eliminate duplicates Z: 36 35.933 2.050 0.893 0.698 0.943 0.486 CB 1.386 36 residues pruned to eliminate duplicates Z: 36 37.477 2.076 0.940 0.702 0.943 0.514 CB 1.387 36 residues pruned to eliminate duplicates Z: 103 74.292 2.210 0.845 0.701 0.951 0.686 CB 1.580 103 residues pruned to eliminate duplicates Z: 35 39.295 2.110 0.832 0.753 1.000 0.441 CB 1.391 35 residues pruned to eliminate duplicates Z: 106 72.371 2.197 0.842 0.686 0.943 0.648 CB 1.560 106 residues pruned to eliminate duplicates Z: 36 36.591 2.124 0.910 0.717 0.914 0.457 CB 1.370 36 residues pruned to eliminate duplicates Z: 33 40.402 2.162 0.896 0.766 0.969 0.500 CB 1.421 33 residues pruned to eliminate duplicates Z: 36 37.182 2.126 0.869 0.731 0.943 0.571 CB 1.362 36 residues pruned to eliminate duplicates Z: 107 71.590 2.189 0.883 0.670 0.915 0.651 CB 1.575 107 residues pruned to eliminate duplicates Z: 36 37.044 2.122 0.874 0.733 0.914 0.571 CB 1.397 36 residues pruned to eliminate duplicates Z: 72 42.168 1.970 0.835 0.674 0.930 0.535 CB 1.268 72 residues pruned to eliminate duplicates Z: 36 35.450 2.163 0.841 0.692 0.886 0.514 CB 1.426 36 residues pruned to eliminate duplicates Z: 10 4.146 1.660 0.611 0.237 0.667 0.444 CB 1.052 10 residues pruned to eliminate duplicates Z: 101 75.127 2.211 0.897 0.704 0.950 0.570 CB 1.566 101 residues pruned to eliminate duplicates Z: 77 61.275 2.231 0.873 0.649 0.921 0.671 CA 1.589 77 residues pruned to eliminate duplicates Z: 72 62.609 2.227 0.934 0.679 0.944 0.676 CA 1.550 72 residues pruned to eliminate duplicates Z: 61 64.309 2.277 0.875 0.714 1.000 0.650 CA 1.602 61 residues pruned to eliminate duplicates Z: 71 64.996 2.252 0.897 0.676 0.943 0.614 CB 1.640 71 residues pruned to eliminate duplicates Z: 72 59.082 2.221 0.889 0.650 0.915 0.648 CB 1.587 72 residues pruned to eliminate duplicates Z: 66 66.424 2.252 0.974 0.715 0.954 0.600 CB 1.600 66 residues pruned to eliminate duplicates Z: 72 63.643 2.235 0.930 0.663 0.944 0.718 CA 1.596 72 residues pruned to eliminate duplicates Z: 72 59.637 2.195 0.823 0.679 0.972 0.634 CA 1.543 72 residues pruned to eliminate duplicates Z: 71 61.413 2.251 0.825 0.676 0.971 0.586 CA 1.564 71 residues pruned to eliminate duplicates Z: 68 60.694 2.228 0.879 0.698 0.925 0.701 CA 1.597 68 residues pruned to eliminate duplicates Z: 67 65.678 2.240 0.929 0.707 0.985 0.697 CA 1.574 67 residues pruned to eliminate duplicates Z: 65 68.005 2.289 0.925 0.726 0.984 0.703 CA 1.598 65 residues pruned to eliminate duplicates Z: 71 63.704 2.264 0.867 0.676 0.957 0.686 CA 1.600 71 residues pruned to eliminate duplicates Z: 71 59.476 2.255 0.787 0.685 0.957 0.686 CA 1.555 71 residues pruned to eliminate duplicates Z: 71 68.398 2.230 1.013 0.685 0.971 0.771 CA 1.582 71 residues pruned to eliminate duplicates Z: 68 63.179 2.230 0.893 0.701 0.970 0.612 CA 1.569 68 residues pruned to eliminate duplicates Z: 68 64.198 2.253 0.905 0.699 0.955 0.776 CA 1.596 68 residues pruned to eliminate duplicates Z: 71 60.358 2.228 0.868 0.678 0.943 0.714 CA 1.562 71 residues pruned to eliminate duplicates Z: 78 59.558 2.192 0.899 0.629 0.935 0.584 CA 1.545 78 residues pruned to eliminate duplicates Z: 72 67.252 2.230 1.000 0.690 0.958 0.746 CA 1.570 72 residues pruned to eliminate duplicates Z: 70 60.495 2.265 0.819 0.673 0.942 0.754 CA 1.600 70 residues pruned to eliminate duplicates Z: 106 72.189 2.158 0.947 0.671 0.933 0.629 CB 1.533 106 residues pruned to eliminate duplicates Z: 72 64.405 2.231 0.915 0.682 0.972 0.732 CA 1.558 72 residues pruned to eliminate duplicates Z: 76 59.930 2.194 0.844 0.636 0.947 0.720 CA 1.590 76 residues pruned to eliminate duplicates Z: 71 65.980 2.247 0.908 0.689 0.986 0.729 CA 1.570 71 residues pruned to eliminate duplicates Z: 77 60.932 2.234 0.868 0.645 0.908 0.724 CA 1.612 77 residues pruned to eliminate duplicates Z: 78 55.668 2.158 0.825 0.640 0.961 0.688 CA 1.471 78 residues pruned to eliminate duplicates Z: 103 74.368 2.182 0.962 0.705 0.931 0.657 CA 1.532 103 residues pruned to eliminate duplicates Z: 67 62.175 2.250 0.900 0.713 0.955 0.758 CA 1.546 67 residues pruned to eliminate duplicates Z: 65 62.445 2.277 0.813 0.727 1.000 0.859 CA 1.541 65 residues pruned to eliminate duplicates Z: 73 57.476 2.234 0.845 0.653 0.931 0.708 CA 1.531 73 residues pruned to eliminate duplicates Z: 67 59.995 2.245 0.846 0.697 0.955 0.773 CA 1.559 67 residues pruned to eliminate duplicates Z: 66 60.796 2.252 0.851 0.711 0.969 0.754 CA 1.542 66 residues pruned to eliminate duplicates Z: 72 59.757 2.210 0.898 0.666 0.958 0.831 CA 1.513 72 residues pruned to eliminate duplicates Z: 73 56.786 2.201 0.845 0.670 0.931 0.708 CA 1.515 73 residues pruned to eliminate duplicates Z: 72 64.417 2.237 0.891 0.673 0.972 0.718 CA 1.586 72 residues pruned to eliminate duplicates Z: 70 65.090 2.260 0.869 0.696 0.971 0.768 CA 1.598 70 residues pruned to eliminate duplicates Z: 71 65.084 2.241 0.923 0.694 0.971 0.743 CA 1.557 66 residues pruned to eliminate duplicates Z: 14 31.020 2.203 1.041 0.925 1.000 0.923 CA 1.343 14 residues pruned to eliminate duplicates Z: 63 68.486 2.299 0.951 0.721 1.000 0.839 CA 1.589 63 residues pruned to eliminate duplicates Z: 72 62.232 2.221 0.887 0.662 0.958 0.676 CA 1.583 72 residues pruned to eliminate duplicates Z: 72 65.512 2.239 0.968 0.673 0.958 0.732 CA 1.571 72 residues pruned to eliminate duplicates Z: 75 62.340 2.245 0.914 0.638 0.932 0.716 CA 1.589 75 residues pruned to eliminate duplicates Z: 65 67.409 2.264 1.020 0.720 0.969 0.781 CA 1.560 65 residues pruned to eliminate duplicates Z: 72 63.111 2.253 0.889 0.681 0.958 0.690 CA 1.556 72 residues pruned to eliminate duplicates Z: 68 52.317 2.143 0.820 0.607 0.940 0.687 CA 1.574 68 residues pruned to eliminate duplicates Z: 60 66.724 2.297 0.968 0.709 1.000 0.763 CA 1.590 60 residues pruned to eliminate duplicates Z: 65 64.947 2.196 0.955 0.718 0.984 0.734 CA 1.578 65 residues pruned to eliminate duplicates Z: 78 63.141 2.223 0.935 0.635 0.922 0.649 CA 1.599 78 residues pruned to eliminate duplicates Z: 76 66.925 2.235 0.982 0.646 0.960 0.693 CB 1.585 76 residues pruned to eliminate duplicates Z: 55 48.270 2.058 0.959 0.693 0.963 0.741 CB 1.418 54 residues pruned to eliminate duplicates Z: 16 26.251 2.051 0.603 0.906 1.000 0.933 CA 1.466 16 residues pruned to eliminate duplicates Z: 69 66.692 2.264 0.924 0.688 0.985 0.647 CA 1.586 69 residues pruned to eliminate duplicates Z: 75 62.316 2.249 0.878 0.653 0.932 0.608 CB 1.595 75 residues pruned to eliminate duplicates Z: 67 63.861 2.235 0.923 0.707 0.985 0.727 CA 1.538 67 residues pruned to eliminate duplicates Z: 63 69.112 2.255 1.056 0.757 0.984 0.742 CA 1.530 63 residues pruned to eliminate duplicates Z: 72 67.267 2.233 0.983 0.673 0.972 0.746 CA 1.582 72 residues pruned to eliminate duplicates Z: 67 69.158 2.269 1.021 0.694 0.970 0.742 CA 1.603 67 residues pruned to eliminate duplicates Z: 70 67.235 2.250 0.980 0.694 0.971 0.754 CA 1.568 70 residues pruned to eliminate duplicates Z: 72 66.496 2.240 0.963 0.679 0.972 0.676 CA 1.566 72 residues pruned to eliminate duplicates Z: 70 68.219 2.221 1.011 0.681 0.986 0.652 CA 1.580 70 residues pruned to eliminate duplicates Z: 72 64.866 2.213 0.955 0.670 0.958 0.634 CA 1.588 72 residues pruned to eliminate duplicates Z: 67 65.395 2.223 1.003 0.717 0.970 0.727 CA 1.532 67 residues pruned to eliminate duplicates Z: 82 69.044 2.180 1.021 0.672 0.951 0.679 CA 1.564 83 residues pruned to eliminate duplicates Z: 18 24.456 2.043 0.687 0.794 0.882 0.706 CA 1.507 18 residues pruned to eliminate duplicates Z: 77 63.961 2.223 0.936 0.636 0.961 0.645 CA 1.563 77 residues pruned to eliminate duplicates Z: 72 63.569 2.234 0.929 0.678 0.958 0.634 CA 1.553 72 residues pruned to eliminate duplicates Z: 70 67.379 2.273 0.910 0.682 0.986 0.696 CA 1.605 70 residues pruned to eliminate duplicates Z: 115 77.058 2.187 0.936 0.696 0.947 0.570 CB 1.504 115 residues pruned to eliminate duplicates Z: 19 13.243 1.874 0.675 0.534 0.778 0.333 CB 1.237 19 residues pruned to eliminate duplicates Z: 7 6.146 1.909 0.204 0.558 1.000 0.667 CA 1.032 7 residues pruned to eliminate duplicates Z: 6 7.355 1.916 0.283 0.673 0.800 0.600 CA 1.426 6 residues pruned to eliminate duplicates Z: 9 4.031 1.744 -0.016 0.460 0.750 0.625 CA 1.153 9 residues pruned to eliminate duplicates Z: 12 10.167 1.808 0.228 0.789 0.909 0.636 CA 1.178 12 residues pruned to eliminate duplicates Z: 12 10.195 1.842 0.245 0.744 0.818 0.727 CA 1.316 12 residues pruned to eliminate duplicates Z: 13 10.174 1.705 0.334 0.665 0.833 0.583 CA 1.330 11 residues pruned to eliminate duplicates Z: 11 13.811 1.946 0.274 0.895 0.900 0.900 CA 1.404 12 residues pruned to eliminate duplicates Z: 10 16.087 1.983 0.350 0.897 1.000 0.667 CA 1.435 10 residues pruned to eliminate duplicates Z: 11 11.592 1.831 0.490 0.811 0.900 0.500 CB 1.138 11 residues pruned to eliminate duplicates Z: 51 32.058 1.866 0.649 0.761 0.960 0.800 CB 1.218 61 residues pruned to eliminate duplicates Z: 10 10.031 1.740 0.223 0.910 0.889 0.667 CB 1.254 Z: 9 11.508 1.712 0.275 0.898 1.000 0.625 CB 1.334 10 residues pruned to eliminate duplicates Z: 9 11.387 1.717 0.388 0.897 1.000 0.500 CB 1.209 8 residues pruned to eliminate duplicates Z: 10 12.195 1.666 0.544 0.893 1.000 0.667 CB 1.134 10 residues pruned to eliminate duplicates Z: 10 12.006 1.667 0.668 0.821 0.889 0.667 CB 1.225 9 residues pruned to eliminate duplicates Z: 11 12.198 1.622 0.527 0.830 1.000 0.800 CA 1.171 11 residues pruned to eliminate duplicates Z: 11 12.624 1.666 0.494 0.802 1.000 0.500 CB 1.231 10 residues pruned to eliminate duplicates Z: 6 3.070 1.566 0.407 0.223 1.000 0.400 CA 0.861 6 residues pruned to eliminate duplicates Z: 10 11.945 2.148 0.481 0.429 0.889 0.667 CA 1.515 10 residues pruned to eliminate duplicates Z: 13 10.849 2.133 0.432 0.305 0.833 0.417 CA 1.528 13 residues pruned to eliminate duplicates Z: 99 50.834 2.111 0.764 0.573 0.878 0.551 CB 1.464 119 residues pruned to eliminate duplicates Z: 7 5.253 1.440 0.867 0.520 0.833 0.500 CA 0.939 7 residues pruned to eliminate duplicates Z: 44 36.668 2.131 0.775 0.642 0.930 0.651 CB 1.392 44 residues pruned to eliminate duplicates Z: 16 31.783 2.185 1.194 0.793 0.933 0.667 CB 1.418 16 residues pruned to eliminate duplicates Z: 32 23.339 2.016 0.906 0.449 0.806 0.484 CB 1.426 32 residues pruned to eliminate duplicates Z: 17 28.278 2.302 0.863 0.670 0.875 0.562 CB 1.610 17 residues pruned to eliminate duplicates Z: 44 38.536 2.138 0.830 0.657 0.930 0.628 CB 1.395 44 residues pruned to eliminate duplicates Z: 14 33.874 2.248 1.089 0.918 1.000 0.692 CB 1.411 14 residues pruned to eliminate duplicates Z: 45 34.458 2.075 0.760 0.644 0.909 0.614 CB 1.368 45 residues pruned to eliminate duplicates Z: 46 29.232 2.019 0.742 0.475 0.911 0.511 CB 1.395 46 residues pruned to eliminate duplicates Z: 28 26.722 2.187 0.775 0.539 0.852 0.556 CB 1.497 28 residues pruned to eliminate duplicates Z: 47 32.854 2.050 0.763 0.588 0.935 0.565 CB 1.317 47 residues pruned to eliminate duplicates Z: 46 34.422 2.067 0.788 0.628 0.911 0.600 CB 1.351 46 residues pruned to eliminate duplicates Z: 44 38.919 2.122 0.854 0.650 0.953 0.698 CB 1.375 44 residues pruned to eliminate duplicates Z: 15 29.908 2.149 1.154 0.856 0.929 0.786 CB 1.371 15 residues pruned to eliminate duplicates Z: 45 33.403 2.080 0.764 0.597 0.909 0.545 CB 1.376 45 residues pruned to eliminate duplicates Z: 44 25.804 1.951 0.735 0.509 0.930 0.419 CB 1.238 44 residues pruned to eliminate duplicates Z: 45 35.317 2.105 0.804 0.631 0.909 0.545 CB 1.364 45 residues pruned to eliminate duplicates Z: 41 33.318 2.097 0.844 0.635 0.900 0.600 CB 1.333 41 residues pruned to eliminate duplicates Z: 38 21.642 1.910 0.723 0.508 0.892 0.486 CB 1.203 38 residues pruned to eliminate duplicates Z: 18 14.310 1.886 0.583 0.734 0.941 0.706 CB 1.001 18 residues pruned to eliminate duplicates Z: 19 17.795 1.915 0.667 0.737 0.944 0.611 CB 1.124 19 residues pruned to eliminate duplicates Z: 26 18.069 2.025 0.509 0.508 0.920 0.520 CB 1.276 26 residues pruned to eliminate duplicates Z: 28 16.348 2.006 0.491 0.500 0.852 0.556 CB 1.235 28 residues pruned to eliminate duplicates Z: 18 16.833 1.900 0.784 0.747 0.882 0.706 CB 1.094 18 residues pruned to eliminate duplicates Z: 20 19.359 1.852 0.801 0.710 0.895 0.737 CB 1.229 20 residues pruned to eliminate duplicates Z: 19 17.396 1.899 0.735 0.693 0.889 0.667 CB 1.174 19 residues pruned to eliminate duplicates Z: 40 29.338 2.027 0.835 0.531 0.923 0.564 CB 1.327 40 residues pruned to eliminate duplicates Z: 42 34.680 2.099 0.720 0.623 0.927 0.463 CB 1.441 42 residues pruned to eliminate duplicates Z: 17 19.959 1.937 0.781 0.738 0.938 0.688 CB 1.246 17 residues pruned to eliminate duplicates Z: 16 22.014 2.001 0.724 0.782 1.000 0.800 CB 1.285 16 residues pruned to eliminate duplicates Z: 41 22.988 1.950 0.814 0.533 0.825 0.325 CB 1.206 41 residues pruned to eliminate duplicates Z: 43 34.321 2.043 0.731 0.612 0.952 0.571 CB 1.414 43 residues pruned to eliminate duplicates Z: 19 18.478 1.925 0.732 0.750 0.944 0.667 CB 1.107 19 residues pruned to eliminate duplicates Z: 41 23.227 1.984 0.743 0.498 0.950 0.550 CB 1.120 41 residues pruned to eliminate duplicates Z: 30 17.599 1.944 0.579 0.481 0.931 0.552 CB 1.166 30 residues pruned to eliminate duplicates Z: 26 18.082 2.029 0.504 0.471 0.920 0.600 CB 1.327 26 residues pruned to eliminate duplicates Z: 10 6.291 2.127 0.229 0.253 0.889 0.222 CB 1.200 10 residues pruned to eliminate duplicates Z: 11 5.763 2.065 0.209 0.210 0.800 0.500 CB 1.286 11 residues pruned to eliminate duplicates Z: 11 7.796 2.150 0.239 0.210 1.000 0.600 CB 1.304 11 residues pruned to eliminate duplicates Z: 40 29.739 2.041 0.802 0.571 0.974 0.590 CB 1.241 40 residues pruned to eliminate duplicates Z: 13 7.449 2.012 0.234 0.280 1.000 0.500 CB 1.110 13 residues pruned to eliminate duplicates Z: 16 7.662 1.884 0.268 0.288 0.800 0.400 CB 1.314 16 residues pruned to eliminate duplicates Z: 12 7.524 1.976 0.310 0.195 0.909 0.455 CB 1.387 12 residues pruned to eliminate duplicates Z: 13 6.148 1.869 0.279 0.132 1.000 0.333 CB 1.175 13 residues pruned to eliminate duplicates Z: 56 36.383 2.137 0.591 0.571 0.891 0.691 CA 1.512 56 residues pruned to eliminate duplicates Z: 54 38.905 2.180 0.571 0.574 0.943 0.698 CA 1.540 54 residues pruned to eliminate duplicates Z: 43 43.402 2.218 0.705 0.705 0.976 0.738 CA 1.506 43 residues pruned to eliminate duplicates Z: 56 43.127 2.112 0.769 0.643 0.909 0.709 CA 1.498 56 residues pruned to eliminate duplicates Z: 48 44.260 2.170 0.853 0.659 0.957 0.745 CA 1.448 48 residues pruned to eliminate duplicates Z: 58 55.366 2.177 0.907 0.684 0.947 0.737 CB 1.575 58 residues pruned to eliminate duplicates Z: 16 26.778 2.218 0.824 0.685 0.933 0.667 CA 1.545 16 residues pruned to eliminate duplicates Z: 58 48.358 2.169 0.704 0.670 0.947 0.737 CA 1.563 58 residues pruned to eliminate duplicates Z: 32 40.831 2.258 0.877 0.697 0.935 0.806 CA 1.545 32 residues pruned to eliminate duplicates Z: 59 50.489 2.119 0.879 0.665 0.931 0.690 CB 1.534 59 residues pruned to eliminate duplicates Z: 46 48.329 2.241 0.790 0.735 0.933 0.778 CB 1.558 46 residues pruned to eliminate duplicates Z: 50 50.071 2.194 0.773 0.712 1.000 0.694 CB 1.516 50 residues pruned to eliminate duplicates Z: 44 46.626 2.261 0.782 0.749 0.930 0.744 CA 1.519 44 residues pruned to eliminate duplicates Z: 49 51.216 2.213 0.932 0.706 0.896 0.625 CA 1.600 49 residues pruned to eliminate duplicates Z: 47 49.781 2.188 0.936 0.695 0.913 0.804 CA 1.588 47 residues pruned to eliminate duplicates Z: 49 43.859 2.174 0.680 0.686 0.896 0.708 CB 1.631 49 residues pruned to eliminate duplicates Z: 44 56.876 2.301 0.925 0.738 0.953 0.767 CA 1.659 44 residues pruned to eliminate duplicates Z: 43 51.729 2.281 0.863 0.733 0.952 0.714 CB 1.600 43 residues pruned to eliminate duplicates Z: 40 32.809 2.154 0.746 0.604 0.846 0.436 CB 1.496 40 residues pruned to eliminate duplicates Z: 44 55.450 2.280 0.928 0.730 0.953 0.628 CB 1.640 44 residues pruned to eliminate duplicates Z: 45 54.713 2.292 0.860 0.739 0.955 0.727 CA 1.636 45 residues pruned to eliminate duplicates Z: 35 34.331 2.166 0.850 0.665 0.853 0.618 CB 1.479 35 residues pruned to eliminate duplicates Z: 46 55.245 2.263 1.059 0.727 0.911 0.578 CB 1.581 46 residues pruned to eliminate duplicates Z: 45 55.518 2.248 1.127 0.746 0.932 0.500 CB 1.508 45 residues pruned to eliminate duplicates Z: 48 38.401 2.132 0.809 0.603 0.830 0.468 CB 1.587 48 residues pruned to eliminate duplicates Z: 45 58.646 2.278 1.065 0.728 0.955 0.545 CB 1.603 45 residues pruned to eliminate duplicates Z: 46 54.589 2.249 1.102 0.708 0.933 0.556 CB 1.527 46 residues pruned to eliminate duplicates Z: 49 47.176 2.182 0.908 0.683 0.896 0.375 CB 1.543 49 residues pruned to eliminate duplicates Z: 32 47.573 2.274 1.063 0.697 0.935 0.452 CB 1.627 32 residues pruned to eliminate duplicates Z: 47 56.710 2.237 0.958 0.719 0.978 0.500 CB 1.601 47 residues pruned to eliminate duplicates Z: 46 54.377 2.271 1.093 0.703 0.889 0.444 CB 1.594 46 residues pruned to eliminate duplicates Z: 45 55.655 2.274 0.910 0.747 0.977 0.568 CB 1.585 45 residues pruned to eliminate duplicates Z: 43 57.042 2.309 1.117 0.745 0.905 0.429 CB 1.599 43 residues pruned to eliminate duplicates Z: 17 38.227 2.385 1.096 0.800 0.875 0.500 CA 1.680 17 residues pruned to eliminate duplicates Z: 45 49.271 2.242 1.077 0.701 0.864 0.455 CB 1.538 45 residues pruned to eliminate duplicates Z: 18 32.524 2.328 1.221 0.773 0.706 0.412 CA 1.698 18 residues pruned to eliminate duplicates Z: 46 57.590 2.271 1.085 0.722 0.933 0.467 CB 1.589 46 residues pruned to eliminate duplicates Z: 48 54.365 2.215 1.045 0.697 0.915 0.532 CB 1.598 48 residues pruned to eliminate duplicates Z: 19 43.549 2.379 1.248 0.785 0.833 0.444 CA 1.792 19 residues pruned to eliminate duplicates Z: 19 51.601 2.402 1.310 0.780 0.944 0.500 CA 1.813 19 residues pruned to eliminate duplicates Z: 49 49.136 2.211 1.179 0.655 0.833 0.354 CB 1.529 49 residues pruned to eliminate duplicates Z: 45 58.088 2.283 1.116 0.751 0.955 0.591 CB 1.518 45 residues pruned to eliminate duplicates Z: 45 63.153 2.298 1.192 0.751 0.955 0.523 CB 1.583 45 residues pruned to eliminate duplicates Z: 38 22.374 1.969 0.322 0.706 0.946 0.703 CB 1.239 38 residues pruned to eliminate duplicates Z: 35 24.583 1.982 0.324 0.762 0.971 0.794 CB 1.311 35 residues pruned to eliminate duplicates Z: 35 25.334 2.000 0.417 0.718 0.941 0.735 CB 1.337 35 residues pruned to eliminate duplicates Z: 37 27.430 1.970 0.495 0.718 0.972 0.722 CB 1.311 37 residues pruned to eliminate duplicates Z: 37 25.982 2.007 0.437 0.752 0.944 0.750 CB 1.270 37 residues pruned to eliminate duplicates Z: 38 25.233 1.944 0.436 0.720 1.000 0.676 CB 1.218 38 residues pruned to eliminate duplicates Z: 63 40.971 2.042 0.656 0.675 0.968 0.710 CB 1.353 63 residues pruned to eliminate duplicates Z: 56 40.246 1.976 0.677 0.757 0.982 0.673 CB 1.326 58 residues pruned to eliminate duplicates Z: 26 24.571 2.002 0.465 0.869 0.920 0.760 CB 1.330 26 residues pruned to eliminate duplicates Z: 31 26.580 2.041 0.438 0.766 0.967 0.900 CB 1.351 31 residues pruned to eliminate duplicates Z: 96 49.728 2.021 0.726 0.695 0.937 0.716 CB 1.307 96 residues pruned to eliminate duplicates Z: 38 26.107 1.966 0.442 0.719 0.973 0.784 CB 1.277 38 residues pruned to eliminate duplicates Z: 33 23.450 2.025 0.376 0.749 0.969 0.906 CB 1.229 33 residues pruned to eliminate duplicates Z: 35 25.328 1.968 0.414 0.784 0.971 0.794 CB 1.253 35 residues pruned to eliminate duplicates Z: 30 28.619 2.073 0.567 0.777 0.931 0.690 CB 1.376 30 residues pruned to eliminate duplicates Z: 32 28.899 2.059 0.583 0.756 0.968 0.645 CB 1.310 32 residues pruned to eliminate duplicates Z: 35 26.897 2.000 0.493 0.758 0.971 0.765 CB 1.266 35 residues pruned to eliminate duplicates Z: 32 31.513 2.082 0.712 0.773 0.935 0.710 CB 1.334 32 residues pruned to eliminate duplicates Z: 38 23.446 1.943 0.589 0.686 0.892 0.595 CB 1.180 38 residues pruned to eliminate duplicates Z: 31 30.452 2.067 0.651 0.770 0.967 0.700 CB 1.327 31 residues pruned to eliminate duplicates Z: 36 28.304 1.995 0.686 0.734 0.914 0.514 CB 1.261 36 residues pruned to eliminate duplicates Z: 38 27.281 1.967 0.576 0.722 0.973 0.622 CB 1.217 38 residues pruned to eliminate duplicates Z: 33 30.561 2.033 0.800 0.733 0.969 0.625 CB 1.236 33 residues pruned to eliminate duplicates Z: 31 28.102 1.988 0.666 0.843 0.933 0.600 CB 1.236 31 residues pruned to eliminate duplicates Z: 37 27.376 1.970 0.645 0.744 0.917 0.528 CB 1.235 37 residues pruned to eliminate duplicates Z: 32 31.649 2.060 0.770 0.751 0.968 0.516 CB 1.289 32 residues pruned to eliminate duplicates Z: 35 29.690 2.003 0.648 0.756 0.971 0.500 CB 1.264 35 residues pruned to eliminate duplicates Z: 37 29.413 1.979 0.609 0.741 1.000 0.472 CB 1.241 37 residues pruned to eliminate duplicates Z: 36 25.099 1.975 0.582 0.732 0.886 0.571 CB 1.244 36 residues pruned to eliminate duplicates Z: 33 31.523 2.030 0.804 0.739 0.969 0.688 CB 1.267 33 residues pruned to eliminate duplicates Z: 37 26.878 1.969 0.632 0.718 0.917 0.556 CB 1.249 37 residues pruned to eliminate duplicates Z: 33 29.766 2.038 0.699 0.733 0.938 0.719 CB 1.314 33 residues pruned to eliminate duplicates Z: 32 28.502 2.035 0.828 0.756 0.935 0.484 CB 1.172 32 residues pruned to eliminate duplicates Z: 65 36.837 1.984 0.768 0.637 0.906 0.469 CB 1.274 65 residues pruned to eliminate duplicates Z: 11 4.525 1.829 0.314 0.348 0.700 0.400 CB 1.003 11 residues pruned to eliminate duplicates Z: 37 28.021 2.012 0.614 0.714 0.972 0.556 CB 1.218 37 residues pruned to eliminate duplicates Z: 37 28.018 1.987 0.605 0.747 0.972 0.639 CB 1.208 37 residues pruned to eliminate duplicates Z: 64 49.598 2.047 0.861 0.738 0.968 0.825 CB 1.368 62 residues pruned to eliminate duplicates Z: 6 4.459 1.690 0.721 0.247 0.800 0.400 CA 1.147 6 residues pruned to eliminate duplicates Z: 27 31.495 2.098 1.156 0.617 0.885 0.346 CB 1.382 27 residues pruned to eliminate duplicates Z: 100 53.626 2.020 0.750 0.720 0.970 0.626 CB 1.289 100 residues pruned to eliminate duplicates Z: 30 38.708 2.144 0.944 0.655 1.000 0.586 CB 1.494 30 residues pruned to eliminate duplicates Z: 28 25.513 2.099 1.025 0.551 0.815 0.519 CB 1.348 28 residues pruned to eliminate duplicates Z: 28 30.582 2.063 0.879 0.578 0.926 0.444 CB 1.521 28 residues pruned to eliminate duplicates Z: 69 42.273 1.986 0.778 0.664 0.956 0.721 CB 1.305 69 residues pruned to eliminate duplicates Z: 31 34.150 2.109 0.893 0.619 0.967 0.733 CA 1.444 31 residues pruned to eliminate duplicates Z: 63 44.187 2.019 0.879 0.690 0.952 0.758 CB 1.306 64 residues pruned to eliminate duplicates Z: 17 41.915 2.257 1.072 0.904 1.000 0.625 CA 1.596 17 residues pruned to eliminate duplicates Z: 97 60.845 2.045 0.907 0.716 0.969 0.740 CB 1.351 96 residues pruned to eliminate duplicates Z: 19 37.469 2.070 1.065 0.912 0.944 0.778 CA 1.550 19 residues pruned to eliminate duplicates Z: 124 56.465 1.970 0.795 0.690 0.943 0.650 CB 1.283 124 residues pruned to eliminate duplicates Z: 72 46.390 1.983 0.834 0.679 0.958 0.718 CB 1.340 72 residues pruned to eliminate duplicates Z: 62 51.227 2.061 0.856 0.766 0.984 0.836 CB 1.376 62 residues pruned to eliminate duplicates Z: 24 37.077 2.134 1.104 0.631 1.000 0.565 CB 1.522 24 residues pruned to eliminate duplicates Z: 63 41.867 2.013 0.768 0.664 0.935 0.726 CB 1.372 63 residues pruned to eliminate duplicates Z: 63 45.596 2.019 0.741 0.747 0.952 0.742 CB 1.388 63 residues pruned to eliminate duplicates Z: 65 48.820 2.033 0.801 0.720 1.000 0.703 CB 1.366 67 residues pruned to eliminate duplicates Z: 20 40.224 2.051 1.216 0.909 1.000 0.789 CA 1.441 20 residues pruned to eliminate duplicates Z: 101 50.683 1.921 0.787 0.711 0.970 0.690 CB 1.256 112 residues pruned to eliminate duplicates Z: 19 37.798 2.159 1.210 0.868 0.944 0.833 CA 1.445 19 residues pruned to eliminate duplicates Z: 65 50.087 2.050 0.822 0.728 0.969 0.781 CB 1.409 65 residues pruned to eliminate duplicates Z: 45 34.359 2.049 0.951 0.588 0.886 0.659 CA 1.344 45 residues pruned to eliminate duplicates Z: 70 44.336 1.997 0.753 0.684 0.942 0.783 CB 1.368 70 residues pruned to eliminate duplicates Z: 67 45.778 2.010 0.757 0.707 0.985 0.803 CA 1.342 67 residues pruned to eliminate duplicates Z: 66 45.975 2.012 0.753 0.701 0.985 0.754 CA 1.366 66 residues pruned to eliminate duplicates Z: 73 42.596 1.970 0.681 0.683 0.972 0.750 CB 1.317 73 residues pruned to eliminate duplicates Z: 66 45.995 2.038 0.728 0.724 0.985 0.815 CB 1.345 66 residues pruned to eliminate duplicates Z: 73 44.403 1.962 0.754 0.678 0.972 0.778 CB 1.328 73 residues pruned to eliminate duplicates Z: 66 43.668 2.019 0.695 0.711 0.969 0.846 CB 1.348 66 residues pruned to eliminate duplicates Z: 76 42.554 2.053 0.709 0.631 0.907 0.707 CB 1.365 76 residues pruned to eliminate duplicates Z: 65 46.688 2.035 0.744 0.712 0.984 0.750 CB 1.378 65 residues pruned to eliminate duplicates Z: 58 48.608 2.063 0.784 0.789 0.965 0.860 CB 1.405 58 residues pruned to eliminate duplicates Z: 66 45.502 2.022 0.777 0.714 0.985 0.738 CB 1.314 66 residues pruned to eliminate duplicates Z: 85 45.063 1.967 0.683 0.703 0.929 0.774 CB 1.330 85 residues pruned to eliminate duplicates Z: 71 46.507 2.011 0.833 0.681 0.971 0.771 CB 1.315 71 residues pruned to eliminate duplicates Z: 67 43.927 1.998 0.711 0.709 0.985 0.803 CB 1.329 67 residues pruned to eliminate duplicates Z: 62 43.515 2.022 0.636 0.756 1.000 0.869 CA 1.342 62 residues pruned to eliminate duplicates Z: 65 48.864 2.036 0.802 0.727 0.984 0.781 CB 1.379 65 residues pruned to eliminate duplicates Z: 65 46.289 2.050 0.722 0.722 0.969 0.812 CB 1.385 65 residues pruned to eliminate duplicates Z: 66 42.973 2.025 0.658 0.707 0.969 0.800 CB 1.357 66 residues pruned to eliminate duplicates Z: 55 42.341 1.954 0.904 0.708 0.963 0.722 CB 1.331 55 residues pruned to eliminate duplicates Z: 71 43.888 1.989 0.768 0.667 0.957 0.700 CB 1.335 71 residues pruned to eliminate duplicates Z: 65 44.948 2.031 0.720 0.732 0.969 0.812 CB 1.347 65 residues pruned to eliminate duplicates Z: 62 54.913 2.061 0.928 0.755 0.984 0.787 CB 1.434 62 residues pruned to eliminate duplicates Z: 68 45.292 2.023 0.793 0.698 0.970 0.761 CB 1.312 68 residues pruned to eliminate duplicates Z: 62 46.543 2.038 0.722 0.765 0.967 0.852 CB 1.388 62 residues pruned to eliminate duplicates Z: 65 46.747 2.035 0.794 0.712 0.984 0.688 CB 1.342 65 residues pruned to eliminate duplicates Z: 65 46.754 2.045 0.785 0.721 0.969 0.734 CB 1.353 65 residues pruned to eliminate duplicates Z: 31 29.401 1.897 0.926 0.768 0.933 0.667 CB 1.242 31 residues pruned to eliminate duplicates Z: 67 47.430 2.028 0.856 0.713 0.970 0.758 CB 1.318 67 residues pruned to eliminate duplicates Z: 66 50.505 2.042 0.881 0.716 0.969 0.723 CB 1.383 66 residues pruned to eliminate duplicates Z: 65 47.771 2.042 0.741 0.728 1.000 0.812 CB 1.367 65 residues pruned to eliminate duplicates Z: 70 49.503 2.020 0.964 0.674 0.957 0.754 CB 1.338 70 residues pruned to eliminate duplicates Z: 69 46.593 2.001 0.786 0.695 0.985 0.765 CB 1.343 69 residues pruned to eliminate duplicates Z: 66 46.960 2.032 0.791 0.723 0.969 0.785 CB 1.350 66 residues pruned to eliminate duplicates Z: 72 43.397 1.947 0.819 0.684 0.958 0.732 CB 1.282 72 residues pruned to eliminate duplicates Z: 102 53.258 2.010 0.774 0.706 0.970 0.723 CB 1.270 102 residues pruned to eliminate duplicates Z: 64 44.043 2.028 0.759 0.727 0.952 0.730 CB 1.331 64 residues pruned to eliminate duplicates Z: 63 49.283 2.078 0.777 0.743 0.984 0.758 CB 1.386 63 residues pruned to eliminate duplicates Z: 46 18.403 1.713 0.496 0.633 0.844 0.556 CB 1.120 46 residues pruned to eliminate duplicates Z: 45 19.277 1.710 0.535 0.616 0.886 0.568 CB 1.119 45 residues pruned to eliminate duplicates Z: 34 20.903 1.830 0.549 0.623 0.939 0.667 CB 1.217 34 residues pruned to eliminate duplicates Z: 41 18.306 1.740 0.422 0.664 0.900 0.550 CB 1.117 41 residues pruned to eliminate duplicates Z: 42 17.066 1.732 0.391 0.624 0.878 0.512 CB 1.121 42 residues pruned to eliminate duplicates Z: 23 14.849 1.851 0.473 0.589 0.818 0.455 CB 1.304 23 residues pruned to eliminate duplicates Z: 37 17.096 1.740 0.481 0.545 0.889 0.389 CB 1.191 37 residues pruned to eliminate duplicates Z: 28 16.310 1.790 0.474 0.563 0.889 0.519 CB 1.259 28 residues pruned to eliminate duplicates Z: 35 16.676 1.779 0.512 0.574 0.853 0.529 CB 1.160 35 residues pruned to eliminate duplicates Z: 42 18.867 1.723 0.510 0.640 0.902 0.610 CB 1.101 42 residues pruned to eliminate duplicates Z: 37 17.091 1.749 0.462 0.643 0.861 0.500 CB 1.132 37 residues pruned to eliminate duplicates Z: 39 19.836 1.771 0.493 0.659 0.921 0.711 CB 1.139 39 residues pruned to eliminate duplicates Z: 37 16.457 1.745 0.569 0.598 0.806 0.583 CB 1.132 37 residues pruned to eliminate duplicates Z: 42 19.352 1.725 0.519 0.647 0.902 0.634 CB 1.114 42 residues pruned to eliminate duplicates Z: 29 14.852 1.779 0.469 0.636 0.857 0.607 CB 1.103 29 residues pruned to eliminate duplicates Z: 22 16.060 1.868 0.491 0.605 0.857 0.524 CB 1.329 22 residues pruned to eliminate duplicates Z: 35 19.608 1.717 0.564 0.693 0.912 0.441 CB 1.151 35 residues pruned to eliminate duplicates Z: 8 12.928 1.807 0.930 0.762 0.857 0.286 CA 1.295 8 residues pruned to eliminate duplicates Z: 22 15.035 1.864 0.561 0.568 0.762 0.429 CB 1.385 22 residues pruned to eliminate duplicates Z: 8 12.685 1.792 1.052 0.767 0.857 0.429 CA 1.201 8 residues pruned to eliminate duplicates Z: 26 12.001 1.733 0.397 0.436 0.840 0.480 CB 1.260 26 residues pruned to eliminate duplicates Z: 41 16.822 1.716 0.531 0.588 0.850 0.575 CB 1.095 41 residues pruned to eliminate duplicates Z: 39 21.546 1.773 0.622 0.650 0.947 0.579 CB 1.115 39 residues pruned to eliminate duplicates Z: 41 17.748 1.706 0.545 0.632 0.875 0.525 CB 1.075 41 residues pruned to eliminate duplicates Z: 17 7.038 1.489 0.351 0.473 1.000 0.625 CB 0.900 17 residues pruned to eliminate duplicates Z: 28 13.168 1.730 0.334 0.600 0.889 0.333 CB 1.124 28 residues pruned to eliminate duplicates Z: 24 11.409 1.637 0.464 0.614 0.913 0.435 CB 0.976 24 residues pruned to eliminate duplicates Z: 15 10.212 1.568 0.673 0.590 1.000 0.714 CB 0.954 15 residues pruned to eliminate duplicates Z: 15 7.343 1.559 0.381 0.540 0.929 0.500 CB 0.943 15 residues pruned to eliminate duplicates Z: 18 10.200 1.585 0.470 0.673 0.882 0.588 CB 1.026 18 residues pruned to eliminate duplicates Z: 13 9.649 1.580 0.538 0.578 1.000 0.750 CB 1.063 13 residues pruned to eliminate duplicates Z: 22 8.883 1.474 0.444 0.480 1.000 0.476 CB 0.928 22 residues pruned to eliminate duplicates Z: 16 8.674 1.523 0.555 0.551 0.867 0.533 CB 1.038 16 residues pruned to eliminate duplicates Z: 25 15.053 1.638 0.654 0.692 0.917 0.542 CB 1.038 25 residues pruned to eliminate duplicates Z: 17 11.471 1.601 0.572 0.707 0.938 0.562 CB 1.007 17 residues pruned to eliminate duplicates Z: 21 9.291 1.542 0.603 0.629 0.900 0.500 CB 0.827 21 residues pruned to eliminate duplicates Z: 18 9.983 1.604 0.572 0.696 0.941 0.588 CB 0.853 18 residues pruned to eliminate duplicates Z: 17 12.651 1.637 0.584 0.752 1.000 0.625 CB 0.974 17 residues pruned to eliminate duplicates Z: 12 9.862 1.514 0.552 0.818 1.000 0.727 CB 0.960 12 residues pruned to eliminate duplicates Z: 18 12.010 1.591 0.636 0.768 0.941 0.588 CB 0.938 18 residues pruned to eliminate duplicates 408 residues left after pruning, divided into chains as follows: A: 12 B: 16 C: 12 D: 210 E: 158 CC for partial structure against native data = 38.26 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.468, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.548, Connect. = 0.764 for dens.mod. cycle 2 = 0.300, Contrast = 0.652, Connect. = 0.792 for dens.mod. cycle 3 = 0.300, Contrast = 0.666, Connect. = 0.795 for dens.mod. cycle 4 = 0.300, Contrast = 0.678, Connect. = 0.797 for dens.mod. cycle 5 = 0.300, Contrast = 0.684, Connect. = 0.799 for dens.mod. cycle 6 = 0.300, Contrast = 0.690, Connect. = 0.800 for dens.mod. cycle 7 = 0.300, Contrast = 0.693, Connect. = 0.801 for dens.mod. cycle 8 = 0.300, Contrast = 0.696, Connect. = 0.801 for dens.mod. cycle 9 = 0.300, Contrast = 0.698, Connect. = 0.802 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2998 peaks > 0.5 sigma used to seed fragment search Space for about 645 unique residues taking solvent into account 576 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 22 58.730 2.437 1.189 0.937 0.952 0.619 CB 1.755 B: 19 43.652 2.244 1.154 0.870 0.944 0.667 CB 1.646 C: 27 38.935 2.177 0.758 0.901 0.962 0.769 CB 1.480 D: 24 48.219 2.356 0.842 0.936 1.000 0.565 CA 1.613 22 residues pruned to eliminate duplicates E: 26 41.712 2.237 0.864 0.909 0.960 0.480 CB 1.479 27 residues pruned to eliminate duplicates F: 18 47.970 2.369 1.316 0.909 0.882 0.765 CA 1.706 19 residues pruned to eliminate duplicates G: 24 56.546 2.365 1.183 0.913 0.957 0.478 CB 1.690 24 residues pruned to eliminate duplicates H: 18 53.440 2.366 1.443 0.906 0.941 0.588 CA 1.694 18 residues pruned to eliminate duplicates I: 20 44.606 2.435 0.808 0.929 0.947 0.684 CA 1.717 20 residues pruned to eliminate duplicates J: 19 47.734 2.260 1.332 0.927 0.944 0.556 CA 1.585 19 residues pruned to eliminate duplicates K: 16 24.169 2.032 0.882 0.921 1.000 0.800 CA 1.148 L: 15 30.332 2.157 1.057 0.805 1.000 0.714 CB 1.399 M: 25 42.060 2.263 0.775 0.921 1.000 0.833 CB 1.504 26 residues pruned to eliminate duplicates N: 22 52.865 2.333 1.036 0.921 1.000 0.714 CB 1.709 22 residues pruned to eliminate duplicates O: 25 44.819 2.293 0.795 0.902 1.000 0.750 CA 1.585 25 residues pruned to eliminate duplicates P: 19 52.257 2.267 1.365 0.864 1.000 0.611 CB 1.684 19 residues pruned to eliminate duplicates Q: 26 43.732 2.201 0.982 0.890 1.000 0.640 CB 1.442 26 residues pruned to eliminate duplicates R: 15 26.889 2.134 0.853 0.882 0.929 0.643 CB 1.416 15 residues pruned to eliminate duplicates S: 18 50.092 2.353 1.288 0.915 0.941 0.706 CA 1.694 18 residues pruned to eliminate duplicates T: 18 58.083 2.388 1.414 0.924 1.000 0.824 CA 1.716 18 residues pruned to eliminate duplicates U: 19 50.994 2.242 1.337 0.917 1.000 0.778 CA 1.619 19 residues pruned to eliminate duplicates V: 16 23.602 2.119 0.707 0.872 0.933 0.800 CA 1.315 16 residues pruned to eliminate duplicates W: 22 47.257 2.386 0.880 0.933 1.000 0.714 CA 1.605 22 residues pruned to eliminate duplicates X: 15 26.332 2.006 0.897 0.901 1.000 0.857 CB 1.320 Y: 19 46.115 2.403 0.880 0.944 1.000 0.667 CA 1.667 19 residues pruned to eliminate duplicates Z: 20 35.407 2.124 0.747 0.922 1.000 0.632 CB 1.539 Z: 17 47.614 2.266 1.329 0.949 1.000 0.875 CA 1.557 Z: 13 17.547 1.887 0.314 0.878 1.000 0.833 CA 1.483 Z: 26 32.839 2.018 0.870 0.891 0.960 0.560 CB 1.303 Z: 14 32.576 2.238 0.986 0.925 1.000 0.769 CB 1.427 15 residues pruned to eliminate duplicates Z: 20 36.800 2.129 0.935 0.919 0.947 0.526 CB 1.525 20 residues pruned to eliminate duplicates Z: 23 42.178 2.334 0.709 0.939 0.955 0.682 CB 1.641 23 residues pruned to eliminate duplicates Z: 23 37.666 2.270 0.897 0.923 0.818 0.636 CB 1.601 23 residues pruned to eliminate duplicates Z: 17 45.953 2.239 1.232 0.935 1.000 0.688 CA 1.602 17 residues pruned to eliminate duplicates Z: 26 34.998 2.233 0.422 0.929 1.000 0.720 CB 1.543 25 residues pruned to eliminate duplicates Z: 16 48.344 2.328 1.215 0.930 1.000 0.800 CA 1.692 17 residues pruned to eliminate duplicates Z: 26 35.885 2.034 0.781 0.919 1.000 0.720 CB 1.396 26 residues pruned to eliminate duplicates Z: 13 24.581 2.201 0.673 0.829 0.917 0.833 CB 1.582 Z: 17 46.727 2.286 1.151 0.948 1.000 1.000 CA 1.641 16 residues pruned to eliminate duplicates Z: 20 32.530 2.003 1.060 0.890 0.947 0.737 CA 1.374 20 residues pruned to eliminate duplicates Z: 24 47.801 2.363 0.750 0.936 1.000 0.913 CA 1.678 24 residues pruned to eliminate duplicates Z: 13 32.462 2.295 1.245 0.920 0.917 0.667 CB 1.397 16 residues pruned to eliminate duplicates Z: 20 40.654 2.130 1.281 0.925 0.895 0.474 CB 1.505 20 residues pruned to eliminate duplicates Z: 19 33.276 2.265 0.923 0.894 0.889 0.500 CB 1.453 19 residues pruned to eliminate duplicates Z: 18 55.501 2.368 1.316 0.879 1.000 0.882 CA 1.780 18 residues pruned to eliminate duplicates Z: 13 25.599 2.230 1.021 0.835 0.833 0.750 CB 1.473 13 residues pruned to eliminate duplicates Z: 16 21.444 1.902 0.798 0.887 1.000 0.800 CA 1.167 16 residues pruned to eliminate duplicates Z: 29 39.860 2.121 0.735 0.869 1.000 0.964 CA 1.495 18 residues pruned to eliminate duplicates Z: 11 11.400 2.056 0.434 0.846 1.000 1.000 CB 0.909 Z: 16 22.096 2.088 0.297 0.897 0.933 0.867 CA 1.616 Z: 20 40.834 2.129 1.116 0.924 0.947 0.632 CB 1.541 20 residues pruned to eliminate duplicates Z: 26 39.221 2.226 0.738 0.902 1.000 0.440 CB 1.447 26 residues pruned to eliminate duplicates Z: 43 34.124 2.116 0.823 0.635 0.881 0.595 CB 1.365 14 residues pruned to eliminate duplicates Z: 11 13.212 2.051 -0.063 0.885 1.000 1.000 CA 1.571 11 residues pruned to eliminate duplicates Z: 17 37.123 2.198 0.945 0.927 1.000 0.938 CA 1.521 17 residues pruned to eliminate duplicates Z: 16 21.495 2.030 0.343 0.880 0.933 0.933 CB 1.580 16 residues pruned to eliminate duplicates Z: 29 41.841 2.211 0.859 0.858 0.929 0.679 CB 1.526 28 residues pruned to eliminate duplicates Z: 21 34.196 2.042 0.873 0.916 1.000 0.500 CB 1.412 21 residues pruned to eliminate duplicates Z: 14 32.765 2.182 1.106 0.907 0.923 0.769 CB 1.523 13 residues pruned to eliminate duplicates Z: 15 25.064 2.001 0.808 0.892 1.000 0.857 CA 1.330 15 residues pruned to eliminate duplicates Z: 15 21.263 1.968 0.608 0.858 1.000 0.929 CB 1.322 15 residues pruned to eliminate duplicates Z: 27 25.591 1.942 0.403 0.897 1.000 0.885 CB 1.318 26 residues pruned to eliminate duplicates Z: 13 23.690 2.078 0.590 0.894 1.000 1.000 CA 1.485 15 residues pruned to eliminate duplicates Z: 17 39.321 2.266 0.970 0.901 1.000 0.875 CA 1.571 17 residues pruned to eliminate duplicates Z: 25 35.631 2.250 0.569 0.928 0.958 0.833 CB 1.506 25 residues pruned to eliminate duplicates Z: 22 49.688 2.305 1.272 0.902 0.952 0.333 CB 1.550 22 residues pruned to eliminate duplicates Z: 21 25.189 2.027 0.302 0.927 1.000 0.900 CA 1.496 21 residues pruned to eliminate duplicates Z: 26 23.437 2.028 0.296 0.911 0.960 0.760 CB 1.316 26 residues pruned to eliminate duplicates Z: 18 30.858 2.098 0.705 0.937 1.000 0.765 CA 1.456 18 residues pruned to eliminate duplicates Z: 29 42.632 2.140 0.865 0.870 1.000 0.857 CA 1.473 28 residues pruned to eliminate duplicates Z: 26 31.381 2.062 0.652 0.899 0.960 0.680 CB 1.372 26 residues pruned to eliminate duplicates Z: 44 33.619 2.080 0.793 0.625 0.907 0.651 CB 1.348 43 residues pruned to eliminate duplicates Z: 15 24.546 1.985 0.860 0.901 1.000 0.929 CB 1.268 15 residues pruned to eliminate duplicates Z: 26 42.021 2.231 0.870 0.919 0.960 0.640 CB 1.479 26 residues pruned to eliminate duplicates Z: 15 31.240 2.182 1.096 0.854 0.929 0.571 CB 1.452 15 residues pruned to eliminate duplicates Z: 17 39.080 2.185 1.196 0.901 0.938 0.750 CA 1.549 17 residues pruned to eliminate duplicates Z: 7 4.683 1.584 0.111 0.656 0.833 0.667 CA 1.127 7 residues pruned to eliminate duplicates Z: 15 26.730 2.175 1.109 0.856 0.857 0.571 CA 1.341 15 residues pruned to eliminate duplicates Z: 14 21.953 2.109 0.492 0.891 0.923 0.846 CB 1.507 15 residues pruned to eliminate duplicates Z: 11 23.747 2.174 0.949 0.914 1.000 0.800 CB 1.254 12 residues pruned to eliminate duplicates Z: 24 37.980 2.309 0.650 0.894 0.957 0.870 CB 1.559 24 residues pruned to eliminate duplicates Z: 17 44.855 2.272 1.231 0.936 1.000 0.938 CA 1.540 17 residues pruned to eliminate duplicates Z: 26 26.692 2.127 0.292 0.918 1.000 0.880 CA 1.370 26 residues pruned to eliminate duplicates Z: 27 36.505 2.171 0.719 0.890 0.962 0.692 CB 1.435 27 residues pruned to eliminate duplicates Z: 14 23.671 2.105 0.510 0.904 1.000 0.923 CA 1.472 12 residues pruned to eliminate duplicates Z: 13 22.447 1.910 0.624 0.907 1.000 0.833 CB 1.485 13 residues pruned to eliminate duplicates Z: 25 30.134 2.084 0.636 0.915 0.917 0.667 CB 1.390 25 residues pruned to eliminate duplicates Z: 16 27.198 2.030 0.775 0.864 0.933 0.533 CB 1.531 15 residues pruned to eliminate duplicates Z: 16 21.354 2.060 0.390 0.889 0.933 0.733 CB 1.485 16 residues pruned to eliminate duplicates Z: 8 13.963 1.783 0.766 0.711 1.000 0.857 CB 1.384 Z: 17 39.007 2.263 0.929 0.948 1.000 0.938 CA 1.543 17 residues pruned to eliminate duplicates Z: 25 33.339 2.089 0.676 0.922 1.000 0.750 CB 1.367 25 residues pruned to eliminate duplicates Z: 11 25.379 2.064 0.916 0.922 1.000 0.900 CB 1.427 11 residues pruned to eliminate duplicates Z: 20 26.948 2.120 0.519 0.918 0.895 0.842 CA 1.512 20 residues pruned to eliminate duplicates Z: 15 29.242 2.090 0.888 0.827 1.000 0.714 CB 1.492 13 residues pruned to eliminate duplicates Z: 13 21.061 1.960 0.960 0.854 1.000 0.750 CB 1.169 12 residues pruned to eliminate duplicates Z: 13 23.662 2.076 0.689 0.881 1.000 0.750 CA 1.410 13 residues pruned to eliminate duplicates Z: 16 45.103 2.422 1.304 0.900 0.933 0.667 CA 1.597 16 residues pruned to eliminate duplicates Z: 18 54.345 2.373 1.285 0.927 1.000 1.000 CA 1.703 18 residues pruned to eliminate duplicates Z: 13 26.575 2.219 1.094 0.878 0.917 0.417 CB 1.307 13 residues pruned to eliminate duplicates Z: 15 26.857 2.166 0.901 0.933 1.000 0.857 CA 1.217 15 residues pruned to eliminate duplicates Z: 12 14.455 1.868 0.353 0.843 1.000 0.909 CB 1.285 12 residues pruned to eliminate duplicates Z: 14 29.054 2.211 0.853 0.899 0.923 0.923 CB 1.524 14 residues pruned to eliminate duplicates Z: 12 20.800 2.012 0.908 0.832 1.000 0.818 CA 1.227 12 residues pruned to eliminate duplicates Z: 17 32.702 2.243 0.758 0.923 1.000 1.000 CA 1.457 17 residues pruned to eliminate duplicates Z: 16 37.970 2.267 0.997 0.871 0.867 0.467 CA 1.823 16 residues pruned to eliminate duplicates Z: 15 30.274 2.133 1.048 0.875 0.929 0.786 CB 1.451 15 residues pruned to eliminate duplicates Z: 14 25.071 2.205 0.586 0.885 1.000 0.769 CB 1.436 14 residues pruned to eliminate duplicates Z: 26 30.885 2.173 0.385 0.923 0.960 0.800 CA 1.503 26 residues pruned to eliminate duplicates Z: 25 28.119 2.070 0.388 0.922 1.000 0.875 CB 1.405 25 residues pruned to eliminate duplicates Z: 12 13.789 1.821 0.314 0.866 1.000 0.909 CB 1.272 12 residues pruned to eliminate duplicates Z: 15 25.341 2.164 0.735 0.885 0.857 0.786 CA 1.520 15 residues pruned to eliminate duplicates Z: 16 24.753 2.049 0.576 0.880 0.933 0.933 CA 1.537 16 residues pruned to eliminate duplicates Z: 21 34.907 2.068 1.093 0.861 0.950 0.350 CB 1.395 21 residues pruned to eliminate duplicates Z: 12 15.784 2.100 0.699 0.846 0.909 0.909 CB 1.090 12 residues pruned to eliminate duplicates Z: 12 16.675 1.876 0.403 0.875 1.000 1.000 CB 1.390 12 residues pruned to eliminate duplicates Z: 23 21.704 2.038 0.655 0.680 0.773 0.636 CA 1.505 23 residues pruned to eliminate duplicates Z: 15 23.478 2.055 0.789 0.825 0.929 0.857 CA 1.387 15 residues pruned to eliminate duplicates Z: 20 37.856 2.134 0.834 0.926 1.000 0.737 CB 1.555 20 residues pruned to eliminate duplicates Z: 25 39.878 2.244 0.813 0.919 0.958 0.583 CB 1.471 25 residues pruned to eliminate duplicates Z: 27 33.178 2.162 0.785 0.867 0.846 0.538 CB 1.457 27 residues pruned to eliminate duplicates Z: 16 31.461 2.063 0.925 0.885 0.933 0.733 CB 1.583 16 residues pruned to eliminate duplicates Z: 14 32.336 2.259 0.982 0.884 1.000 0.769 CB 1.447 14 residues pruned to eliminate duplicates Z: 11 25.289 2.034 0.982 0.927 1.000 1.000 CB 1.389 12 residues pruned to eliminate duplicates Z: 16 21.418 1.999 0.357 0.876 1.000 0.867 CA 1.481 16 residues pruned to eliminate duplicates Z: 27 24.112 2.007 0.225 0.916 1.000 0.885 CB 1.358 27 residues pruned to eliminate duplicates Z: 14 17.491 1.777 0.600 0.901 1.000 0.769 CB 1.218 Z: 10 14.022 1.907 0.216 0.891 1.000 0.667 CA 1.450 Z: 17 38.890 2.067 1.232 0.903 1.000 0.562 CA 1.501 17 residues pruned to eliminate duplicates Z: 17 48.410 2.382 1.312 0.920 0.938 0.938 CA 1.651 17 residues pruned to eliminate duplicates Z: 20 30.435 2.150 0.628 0.894 0.947 0.579 CB 1.510 20 residues pruned to eliminate duplicates Z: 20 23.930 2.077 0.377 0.880 0.947 0.895 CA 1.468 20 residues pruned to eliminate duplicates Z: 26 38.265 2.224 0.741 0.906 0.960 0.760 CB 1.465 26 residues pruned to eliminate duplicates Z: 11 11.901 1.780 0.128 0.907 1.000 1.000 CB 1.332 11 residues pruned to eliminate duplicates Z: 19 49.826 2.302 1.177 0.912 1.000 0.889 CA 1.659 18 residues pruned to eliminate duplicates Z: 20 25.482 2.107 0.333 0.913 1.000 0.947 CA 1.474 20 residues pruned to eliminate duplicates Z: 26 26.975 2.022 0.391 0.878 1.000 0.760 CB 1.392 26 residues pruned to eliminate duplicates Z: 55 58.252 2.232 1.024 0.670 0.963 0.667 CA 1.557 48 residues pruned to eliminate duplicates Z: 22 32.225 2.074 0.777 0.933 0.952 0.762 CB 1.398 22 residues pruned to eliminate duplicates Z: 16 26.605 2.081 0.677 0.893 0.933 0.800 CB 1.514 16 residues pruned to eliminate duplicates Z: 26 48.702 2.190 1.050 0.940 1.000 0.640 CB 1.508 26 residues pruned to eliminate duplicates Z: 25 35.331 2.206 0.677 0.856 1.000 0.667 CB 1.438 25 residues pruned to eliminate duplicates Z: 18 42.123 2.332 1.035 0.914 0.941 0.882 CA 1.618 18 residues pruned to eliminate duplicates Z: 18 44.297 2.089 1.261 0.935 1.000 0.647 CA 1.586 17 residues pruned to eliminate duplicates Z: 27 31.967 2.014 0.628 0.899 1.000 0.846 CB 1.366 27 residues pruned to eliminate duplicates Z: 15 25.097 2.037 0.814 0.875 0.929 0.857 CA 1.422 15 residues pruned to eliminate duplicates Z: 26 26.910 1.995 0.811 0.917 0.960 0.520 CB 1.095 26 residues pruned to eliminate duplicates Z: 23 43.507 2.282 1.156 0.920 0.909 0.273 CB 1.460 23 residues pruned to eliminate duplicates Z: 25 18.917 1.854 0.235 0.835 0.917 0.708 CB 1.378 25 residues pruned to eliminate duplicates Z: 26 26.974 2.039 0.307 0.927 1.000 0.960 CA 1.419 26 residues pruned to eliminate duplicates Z: 14 20.389 2.100 0.436 0.914 0.923 0.692 CB 1.437 14 residues pruned to eliminate duplicates Z: 15 15.533 1.703 0.612 0.906 1.000 0.786 CB 1.076 15 residues pruned to eliminate duplicates Z: 12 11.673 1.766 0.157 0.789 1.000 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 11 29.176 2.184 1.242 0.917 1.000 0.500 CB 1.329 11 residues pruned to eliminate duplicates Z: 14 27.306 2.424 0.466 0.899 0.846 0.538 CB 1.801 14 residues pruned to eliminate duplicates Z: 12 16.417 1.926 0.286 0.885 1.000 0.818 CB 1.443 12 residues pruned to eliminate duplicates Z: 15 23.393 1.876 0.635 0.876 1.000 0.714 CB 1.482 13 residues pruned to eliminate duplicates Z: 22 38.851 2.186 0.996 0.857 0.952 0.810 CA 1.504 22 residues pruned to eliminate duplicates Z: 10 13.481 1.906 0.169 0.900 1.000 0.889 CA 1.440 10 residues pruned to eliminate duplicates Z: 20 22.780 2.123 0.135 0.915 1.000 0.947 CA 1.533 20 residues pruned to eliminate duplicates Z: 26 35.544 2.011 0.917 0.910 0.960 0.760 CB 1.362 26 residues pruned to eliminate duplicates Z: 16 22.744 2.068 0.605 0.913 1.000 0.733 CA 1.253 16 residues pruned to eliminate duplicates Z: 15 26.569 2.091 0.680 0.928 0.929 0.786 CB 1.523 15 residues pruned to eliminate duplicates Z: 13 22.832 1.957 0.597 0.905 1.000 0.917 CA 1.501 13 residues pruned to eliminate duplicates Z: 26 35.794 2.132 0.612 0.906 0.960 0.880 CA 1.544 26 residues pruned to eliminate duplicates Z: 8 6.496 2.007 0.364 0.377 1.000 0.286 CB 1.023 8 residues pruned to eliminate duplicates Z: 15 22.282 1.973 0.368 0.898 1.000 0.929 CB 1.578 15 residues pruned to eliminate duplicates Z: 14 24.678 2.231 0.679 0.911 0.923 0.692 CB 1.403 14 residues pruned to eliminate duplicates Z: 12 13.249 1.969 0.139 0.917 1.000 0.909 CA 1.257 12 residues pruned to eliminate duplicates Z: 11 20.375 2.049 0.553 0.901 1.000 1.000 CA 1.445 11 residues pruned to eliminate duplicates Z: 9 11.823 1.750 0.216 0.881 1.000 0.875 CB 1.422 Z: 6 5.582 1.973 -0.082 0.864 1.000 0.800 CB 1.010 6 residues pruned to eliminate duplicates Z: 45 31.040 2.042 0.757 0.593 0.886 0.591 CB 1.347 45 residues pruned to eliminate duplicates Z: 9 10.387 1.723 0.211 0.875 1.000 0.875 CB 1.280 9 residues pruned to eliminate duplicates Z: 15 12.000 1.796 0.379 0.598 0.929 0.714 CB 1.270 9 residues pruned to eliminate duplicates Z: 25 31.284 2.088 0.596 0.933 1.000 0.708 CB 1.338 25 residues pruned to eliminate duplicates Z: 8 5.970 1.702 0.213 0.493 0.857 0.857 CA 1.285 Z: 11 17.508 2.014 0.436 0.892 1.000 0.900 CB 1.375 11 residues pruned to eliminate duplicates Z: 12 15.321 1.877 0.425 0.847 1.000 0.818 CB 1.282 12 residues pruned to eliminate duplicates Z: 16 30.271 2.056 0.907 0.888 0.933 0.733 CB 1.539 16 residues pruned to eliminate duplicates Z: 26 23.906 1.990 0.270 0.907 1.000 0.840 CB 1.345 26 residues pruned to eliminate duplicates Z: 15 20.219 1.986 0.632 0.828 0.929 0.929 CA 1.353 15 residues pruned to eliminate duplicates Z: 10 12.614 1.900 0.028 0.930 1.000 1.000 CA 1.506 10 residues pruned to eliminate duplicates Z: 26 27.108 2.186 0.171 0.922 1.000 0.920 CA 1.489 26 residues pruned to eliminate duplicates Z: 14 35.453 2.211 1.361 0.933 1.000 0.692 CA 1.314 14 residues pruned to eliminate duplicates Z: 36 41.202 2.249 0.702 0.624 1.000 0.714 CA 1.619 36 residues pruned to eliminate duplicates Z: 11 17.957 2.051 0.430 0.873 1.000 0.700 CB 1.410 11 residues pruned to eliminate duplicates Z: 12 15.489 1.844 0.491 0.794 0.909 0.818 CB 1.445 12 residues pruned to eliminate duplicates Z: 16 25.450 2.007 0.712 0.915 0.933 0.867 CB 1.448 16 residues pruned to eliminate duplicates Z: 16 16.812 1.954 0.154 0.889 1.000 1.000 CA 1.385 16 residues pruned to eliminate duplicates Z: 15 24.458 2.133 0.831 0.855 0.929 0.500 CB 1.331 15 residues pruned to eliminate duplicates Z: 14 18.188 1.770 0.831 0.899 0.846 0.846 CB 1.315 13 residues pruned to eliminate duplicates Z: 13 23.623 1.961 0.696 0.917 1.000 0.917 CB 1.447 13 residues pruned to eliminate duplicates Z: 11 7.706 1.753 0.251 0.499 0.900 0.600 CB 1.235 5 residues pruned to eliminate duplicates Z: 14 16.750 1.835 0.531 0.611 1.000 0.692 CB 1.489 14 residues pruned to eliminate duplicates Z: 13 25.702 1.956 0.737 0.936 1.000 1.000 CA 1.520 13 residues pruned to eliminate duplicates Z: 26 29.830 2.012 0.801 0.805 0.960 0.720 CA 1.314 26 residues pruned to eliminate duplicates Z: 18 31.336 2.202 0.806 0.883 0.941 0.765 CA 1.469 18 residues pruned to eliminate duplicates Z: 14 29.562 2.193 0.951 0.825 1.000 0.846 CB 1.447 15 residues pruned to eliminate duplicates Z: 38 44.378 2.190 0.894 0.627 1.000 0.622 CA 1.561 38 residues pruned to eliminate duplicates Z: 25 30.910 2.070 0.554 0.935 1.000 0.792 CB 1.366 25 residues pruned to eliminate duplicates Z: 11 14.998 2.049 0.450 0.891 1.000 0.900 CB 1.148 11 residues pruned to eliminate duplicates Z: 12 16.891 1.886 0.533 0.887 1.000 0.909 CB 1.270 12 residues pruned to eliminate duplicates Z: 16 14.606 1.846 0.598 0.539 0.867 0.667 CB 1.419 16 residues pruned to eliminate duplicates Z: 16 28.792 1.910 1.185 0.812 1.000 0.467 CB 1.357 16 residues pruned to eliminate duplicates Z: 27 32.354 2.141 0.390 0.901 1.000 0.846 CB 1.523 27 residues pruned to eliminate duplicates Z: 21 31.203 2.049 0.658 0.917 1.000 0.850 CB 1.449 21 residues pruned to eliminate duplicates Z: 13 22.887 1.956 1.003 0.874 0.917 0.750 CB 1.338 13 residues pruned to eliminate duplicates Z: 27 33.579 2.001 0.894 0.909 0.962 0.462 CB 1.283 27 residues pruned to eliminate duplicates Z: 12 19.090 1.959 0.856 0.820 1.000 0.909 CA 1.199 12 residues pruned to eliminate duplicates Z: 20 35.964 2.081 1.002 0.930 0.947 0.421 CB 1.461 20 residues pruned to eliminate duplicates Z: 33 36.843 2.203 0.680 0.730 0.969 0.906 CB 1.477 29 residues pruned to eliminate duplicates Z: 10 16.282 1.909 0.462 0.869 1.000 0.444 CA 1.420 10 residues pruned to eliminate duplicates Z: 13 17.558 1.761 0.671 0.821 1.000 0.750 CB 1.304 13 residues pruned to eliminate duplicates Z: 16 28.554 2.116 1.083 0.913 0.933 0.800 CA 1.268 16 residues pruned to eliminate duplicates Z: 14 19.305 1.910 0.500 0.901 0.923 0.846 CB 1.445 14 residues pruned to eliminate duplicates Z: 27 26.628 1.972 0.398 0.900 1.000 0.692 CB 1.352 27 residues pruned to eliminate duplicates Z: 19 15.911 1.676 0.693 0.485 0.889 0.556 N 1.509 16 residues pruned to eliminate duplicates Z: 13 27.217 2.195 0.664 0.918 1.000 0.917 CB 1.517 13 residues pruned to eliminate duplicates Z: 14 11.925 1.697 0.382 0.870 0.923 0.769 CA 1.116 14 residues pruned to eliminate duplicates Z: 11 15.067 1.866 0.445 0.884 1.000 0.700 CB 1.277 10 residues pruned to eliminate duplicates Z: 24 29.911 2.226 0.404 0.917 0.913 0.826 CB 1.543 24 residues pruned to eliminate duplicates Z: 38 42.941 2.188 0.853 0.724 0.946 0.703 CB 1.504 40 residues pruned to eliminate duplicates Z: 15 25.153 2.039 1.117 0.812 0.857 0.500 CB 1.385 15 residues pruned to eliminate duplicates Z: 9 4.791 1.702 0.651 0.297 0.875 0.375 CB 0.864 9 residues pruned to eliminate duplicates Z: 15 24.729 2.109 0.555 0.917 0.929 0.929 CB 1.531 15 residues pruned to eliminate duplicates Z: 25 30.184 2.067 0.478 0.918 1.000 0.875 CB 1.423 25 residues pruned to eliminate duplicates 9 1.976 1.391 0.265 0.186 0.750 0.375 N 0.771 ? Z: 18 51.722 2.367 1.233 0.915 1.000 0.941 CA 1.677 18 residues pruned to eliminate duplicates Z: 9 8.928 1.748 0.381 0.852 0.875 0.875 CB 1.105 9 residues pruned to eliminate duplicates Z: 15 22.511 1.888 0.621 0.834 1.000 0.857 CA 1.474 15 residues pruned to eliminate duplicates Z: 27 31.129 1.972 0.840 0.890 0.962 0.500 CB 1.259 27 residues pruned to eliminate duplicates Z: 16 11.806 1.746 0.573 0.824 0.933 0.600 CB 0.898 Z: 16 20.970 1.950 0.846 0.819 0.867 0.667 CB 1.316 16 residues pruned to eliminate duplicates Z: 13 20.018 1.836 0.739 0.916 1.000 0.583 CB 1.278 14 residues pruned to eliminate duplicates Z: 11 12.546 1.783 0.446 0.835 0.900 0.500 CB 1.281 11 residues pruned to eliminate duplicates Z: 15 11.919 1.790 0.460 0.588 0.857 0.786 CB 1.307 15 residues pruned to eliminate duplicates Z: 13 9.878 1.739 0.515 0.517 0.833 0.667 CB 1.277 12 residues pruned to eliminate duplicates Z: 8 9.793 1.822 0.378 0.870 1.000 0.857 CA 1.076 8 residues pruned to eliminate duplicates Z: 20 42.770 2.132 1.073 0.924 1.000 0.579 CB 1.558 20 residues pruned to eliminate duplicates Z: 46 32.778 2.044 0.779 0.610 0.911 0.489 CB 1.329 45 residues pruned to eliminate duplicates Z: 14 33.478 2.175 1.129 0.922 1.000 0.385 CA 1.410 14 residues pruned to eliminate duplicates Z: 13 29.210 2.359 0.755 0.905 0.917 0.667 CB 1.581 13 residues pruned to eliminate duplicates Z: 21 26.722 2.053 0.790 0.893 0.900 0.600 CB 1.296 21 residues pruned to eliminate duplicates Z: 10 13.895 1.843 0.290 0.893 1.000 0.667 CA 1.397 10 residues pruned to eliminate duplicates Z: 14 24.786 2.132 0.974 0.769 0.923 0.538 CB 1.395 14 residues pruned to eliminate duplicates Z: 21 25.406 2.053 0.371 0.936 1.000 1.000 CA 1.406 21 residues pruned to eliminate duplicates Z: 62 53.210 2.155 0.887 0.679 0.934 0.525 CB 1.520 57 residues pruned to eliminate duplicates Z: 52 45.436 2.173 0.974 0.695 0.863 0.569 CB 1.439 52 residues pruned to eliminate duplicates Z: 14 18.562 1.812 0.724 0.902 0.923 0.692 CB 1.272 14 residues pruned to eliminate duplicates Z: 11 17.838 1.893 1.146 0.853 0.900 0.500 CB 1.140 11 residues pruned to eliminate duplicates Z: 15 29.014 2.022 1.091 0.882 0.929 0.786 CB 1.429 16 residues pruned to eliminate duplicates Z: 25 32.110 2.223 0.603 0.916 0.917 0.708 CB 1.418 25 residues pruned to eliminate duplicates Z: 25 23.737 2.066 0.280 0.906 0.958 0.833 CB 1.360 25 residues pruned to eliminate duplicates Z: 27 26.341 2.003 0.304 0.928 1.000 0.923 CA 1.386 27 residues pruned to eliminate duplicates Z: 15 24.495 2.143 0.874 0.861 1.000 0.714 CB 1.198 15 residues pruned to eliminate duplicates Z: 9 8.586 1.825 0.294 0.889 1.000 0.875 CA 0.925 9 residues pruned to eliminate duplicates Z: 14 17.920 1.781 0.750 0.862 1.000 0.692 CB 1.171 14 residues pruned to eliminate duplicates Z: 8 11.179 1.809 0.603 0.664 1.000 0.571 CB 1.251 8 residues pruned to eliminate duplicates Z: 16 31.196 2.057 1.327 0.849 0.933 0.533 CB 1.336 16 residues pruned to eliminate duplicates Z: 24 30.577 2.244 0.358 0.939 1.000 1.000 CA 1.453 24 residues pruned to eliminate duplicates Z: 24 27.516 2.116 0.691 0.665 0.957 0.826 CA 1.439 19 residues pruned to eliminate duplicates Z: 28 41.919 2.348 0.908 0.582 1.000 0.704 CA 1.664 28 residues pruned to eliminate duplicates Z: 25 33.258 2.037 0.720 0.910 0.958 0.625 CB 1.434 25 residues pruned to eliminate duplicates Z: 16 24.990 2.111 0.863 0.870 0.933 0.600 CA 1.284 16 residues pruned to eliminate duplicates Z: 13 18.211 1.929 0.527 0.914 0.917 0.833 CA 1.377 13 residues pruned to eliminate duplicates Z: 7 15.669 1.877 0.836 0.847 1.000 0.667 CA 1.378 7 residues pruned to eliminate duplicates Z: 18 43.013 2.325 0.939 0.907 1.000 0.882 CA 1.644 18 residues pruned to eliminate duplicates Z: 15 27.543 2.053 0.903 0.868 1.000 0.714 CB 1.378 15 residues pruned to eliminate duplicates Z: 12 10.271 1.880 0.309 0.862 0.909 0.909 CA 1.016 12 residues pruned to eliminate duplicates Z: 58 31.199 1.937 0.440 0.706 0.965 0.632 CB 1.273 54 residues pruned to eliminate duplicates Z: 11 15.970 1.865 0.434 0.890 1.000 0.700 CB 1.358 11 residues pruned to eliminate duplicates Z: 26 34.648 2.069 0.774 0.915 1.000 0.640 CB 1.335 26 residues pruned to eliminate duplicates Z: 25 37.619 2.294 0.569 0.941 1.000 0.958 CA 1.481 25 residues pruned to eliminate duplicates Z: 10 14.356 1.913 0.290 0.899 1.000 0.889 CA 1.386 10 residues pruned to eliminate duplicates Z: 26 30.346 2.005 0.517 0.920 1.000 0.840 CB 1.405 26 residues pruned to eliminate duplicates Z: 6 7.153 1.735 0.582 0.637 0.800 0.800 N 1.281 6 residues pruned to eliminate duplicates Z: 15 17.862 1.957 0.703 0.685 0.857 0.786 CA 1.410 15 residues pruned to eliminate duplicates Z: 12 7.607 1.606 0.145 0.863 0.909 0.818 CB 1.007 Z: 26 29.446 1.962 0.635 0.842 1.000 0.720 CB 1.368 26 residues pruned to eliminate duplicates Z: 21 37.667 2.096 1.168 0.852 0.950 0.550 CB 1.443 21 residues pruned to eliminate duplicates Z: 19 20.809 2.064 0.234 0.927 1.000 0.944 CB 1.350 19 residues pruned to eliminate duplicates Z: 7 3.056 1.596 0.435 0.320 0.833 0.667 CA 0.798 Z: 13 23.518 2.318 0.660 0.904 0.917 0.500 CB 1.370 13 residues pruned to eliminate duplicates Z: 11 15.662 1.963 0.579 0.592 1.000 0.800 CB 1.463 12 residues pruned to eliminate duplicates Z: 14 19.608 1.865 0.687 0.914 0.923 0.846 CA 1.325 13 residues pruned to eliminate duplicates Z: 32 29.271 2.038 0.706 0.762 0.935 0.581 CB 1.281 32 residues pruned to eliminate duplicates Z: 24 31.325 2.283 0.366 0.924 1.000 1.000 CA 1.471 24 residues pruned to eliminate duplicates Z: 16 13.468 1.713 0.946 0.856 0.933 0.600 CB 0.824 16 residues pruned to eliminate duplicates Z: 16 11.412 1.609 0.194 0.911 1.000 0.867 CB 1.086 16 residues pruned to eliminate duplicates Z: 15 36.897 2.151 1.233 0.888 1.000 0.571 CA 1.479 15 residues pruned to eliminate duplicates Z: 56 46.783 2.090 0.968 0.709 0.855 0.491 CB 1.485 52 residues pruned to eliminate duplicates Z: 7 9.642 1.794 1.052 0.567 0.833 0.833 CB 1.202 Z: 15 28.704 2.020 1.080 0.843 0.929 0.714 CA 1.464 15 residues pruned to eliminate duplicates Z: 27 29.430 1.990 0.536 0.912 1.000 0.769 CB 1.338 27 residues pruned to eliminate duplicates Z: 20 40.269 2.101 1.300 0.936 0.895 0.368 CB 1.487 20 residues pruned to eliminate duplicates Z: 12 9.360 1.606 0.366 0.866 0.909 0.455 CB 1.036 12 residues pruned to eliminate duplicates Z: 16 13.574 1.746 0.582 0.874 1.000 0.733 CB 0.923 16 residues pruned to eliminate duplicates Z: 10 14.364 1.808 0.393 0.885 1.000 0.667 N 1.373 10 residues pruned to eliminate duplicates Z: 27 29.701 2.001 0.690 0.912 0.962 0.769 CB 1.269 27 residues pruned to eliminate duplicates Z: 11 16.700 1.850 0.529 0.844 1.000 0.700 CA 1.389 11 residues pruned to eliminate duplicates Z: 56 57.565 2.222 0.745 0.811 0.982 0.818 CA 1.555 56 residues pruned to eliminate duplicates Z: 9 12.299 1.762 0.311 0.924 1.000 0.625 CB 1.322 9 residues pruned to eliminate duplicates Z: 9 11.990 1.771 0.233 0.914 1.000 0.750 CB 1.374 8 residues pruned to eliminate duplicates Z: 9 13.382 1.804 0.340 0.912 1.000 1.000 CB 1.385 9 residues pruned to eliminate duplicates Z: 14 19.407 2.195 0.703 0.816 0.846 0.462 CB 1.293 14 residues pruned to eliminate duplicates Z: 13 13.622 1.826 0.567 0.848 0.833 0.750 CA 1.223 13 residues pruned to eliminate duplicates Z: 11 11.361 1.686 0.398 0.904 0.900 0.500 CB 1.207 10 residues pruned to eliminate duplicates Z: 16 15.527 1.776 0.729 0.868 0.933 0.667 CB 1.022 16 residues pruned to eliminate duplicates Z: 26 27.556 2.004 0.579 0.875 0.920 0.560 CB 1.378 26 residues pruned to eliminate duplicates Z: 27 40.240 2.172 0.816 0.891 0.962 0.692 CB 1.495 27 residues pruned to eliminate duplicates Z: 31 36.842 2.167 0.902 0.663 1.000 0.867 CA 1.403 31 residues pruned to eliminate duplicates Z: 20 24.278 2.182 0.545 0.625 1.000 0.737 CA 1.468 20 residues pruned to eliminate duplicates Z: 53 41.861 2.088 0.731 0.680 0.962 0.673 CB 1.415 55 residues pruned to eliminate duplicates Z: 6 14.041 1.821 0.955 0.875 1.000 1.000 N 1.282 6 residues pruned to eliminate duplicates Z: 14 19.952 1.811 0.719 0.923 1.000 0.846 CA 1.249 15 residues pruned to eliminate duplicates Z: 14 29.334 2.210 1.297 0.915 0.846 0.538 CB 1.338 14 residues pruned to eliminate duplicates Z: 9 3.350 1.610 0.529 0.299 0.750 0.375 CB 0.802 5 residues pruned to eliminate duplicates Z: 47 35.275 2.112 0.692 0.594 0.935 0.739 CA 1.423 47 residues pruned to eliminate duplicates Z: 34 34.076 2.155 0.836 0.574 0.939 0.697 CA 1.486 34 residues pruned to eliminate duplicates Z: 20 40.857 2.148 0.993 0.936 1.000 0.737 CB 1.524 20 residues pruned to eliminate duplicates Z: 16 16.648 1.745 0.900 0.884 0.933 0.667 CB 1.003 16 residues pruned to eliminate duplicates Z: 9 26.164 2.271 1.167 0.906 1.000 1.000 CB 1.337 9 residues pruned to eliminate duplicates Z: 14 28.300 2.210 0.833 0.924 1.000 0.846 CA 1.361 14 residues pruned to eliminate duplicates Z: 45 29.506 2.019 0.744 0.604 0.864 0.659 CB 1.325 45 residues pruned to eliminate duplicates Z: 13 17.101 1.875 0.652 0.865 0.917 0.750 CA 1.273 13 residues pruned to eliminate duplicates Z: 16 44.453 2.316 1.061 0.940 1.000 1.000 CA 1.671 16 residues pruned to eliminate duplicates Z: 15 7.355 1.704 0.387 0.394 0.714 0.643 CB 1.301 15 residues pruned to eliminate duplicates Z: 8 14.178 1.975 0.497 0.882 1.000 0.571 CA 1.311 8 residues pruned to eliminate duplicates Z: 22 23.237 1.986 0.384 0.869 0.952 0.810 CA 1.414 22 residues pruned to eliminate duplicates Z: 19 37.580 2.154 0.916 0.941 1.000 0.667 CB 1.489 19 residues pruned to eliminate duplicates Z: 7 9.158 1.747 0.557 0.574 0.833 0.667 C 1.536 7 residues pruned to eliminate duplicates Z: 10 13.968 1.846 0.351 0.921 1.000 0.333 CB 1.314 10 residues pruned to eliminate duplicates Z: 14 28.692 2.220 0.953 0.860 0.923 0.846 CA 1.462 14 residues pruned to eliminate duplicates Z: 15 22.026 1.961 0.956 0.868 0.929 0.571 CB 1.208 15 residues pruned to eliminate duplicates Z: 17 36.592 2.224 0.942 0.912 0.938 0.875 CA 1.600 17 residues pruned to eliminate duplicates Z: 15 20.426 1.914 0.744 0.822 1.000 0.786 CA 1.237 15 residues pruned to eliminate duplicates Z: 9 11.956 1.782 0.209 0.918 1.000 0.875 CB 1.383 9 residues pruned to eliminate duplicates Z: 11 9.045 1.650 0.431 0.863 0.900 0.300 CB 0.987 11 residues pruned to eliminate duplicates Z: 12 29.323 2.116 0.818 0.903 1.000 0.727 CA 1.638 12 residues pruned to eliminate duplicates Z: 8 11.273 1.746 0.680 0.681 1.000 0.714 CB 1.230 8 residues pruned to eliminate duplicates Z: 15 24.974 2.149 1.086 0.889 1.000 0.714 CA 1.072 15 residues pruned to eliminate duplicates Z: 62 56.387 2.227 0.943 0.679 0.934 0.508 CB 1.516 62 residues pruned to eliminate duplicates Z: 27 34.996 2.178 0.443 0.917 1.000 0.808 CB 1.540 27 residues pruned to eliminate duplicates Z: 16 20.282 1.893 0.860 0.887 1.000 0.800 CA 1.072 16 residues pruned to eliminate duplicates Z: 27 27.577 2.078 0.371 0.868 0.962 0.654 CA 1.442 27 residues pruned to eliminate duplicates Z: 35 28.655 2.064 0.799 0.692 0.882 0.706 CB 1.259 35 residues pruned to eliminate duplicates Z: 36 25.663 1.978 0.410 0.708 0.971 0.800 CB 1.325 36 residues pruned to eliminate duplicates Z: 7 7.394 1.832 0.563 0.808 0.833 0.500 CB 0.968 7 residues pruned to eliminate duplicates Z: 10 10.786 1.611 0.350 0.891 1.000 0.889 CA 1.188 10 residues pruned to eliminate duplicates 6 1.996 1.526 -0.022 0.449 0.800 0.400 N 0.788 ? Z: 14 20.058 2.152 0.475 0.811 0.923 0.769 CA 1.448 14 residues pruned to eliminate duplicates Z: 15 14.590 1.807 0.415 0.874 1.000 0.714 CB 1.109 15 residues pruned to eliminate duplicates Z: 25 25.248 2.164 0.190 0.922 0.958 0.875 CA 1.468 25 residues pruned to eliminate duplicates Z: 6 3.568 1.583 0.258 0.793 0.800 0.600 CB 0.775 6 residues pruned to eliminate duplicates Z: 7 7.730 1.832 0.698 0.775 1.000 0.833 CB 0.795 7 residues pruned to eliminate duplicates Z: 16 14.793 1.753 0.458 0.859 1.000 0.800 CB 1.100 16 residues pruned to eliminate duplicates Z: 27 28.548 2.154 0.272 0.891 0.962 0.731 CB 1.529 27 residues pruned to eliminate duplicates Z: 16 13.371 1.703 0.582 0.886 1.000 0.800 CB 0.924 16 residues pruned to eliminate duplicates Z: 11 8.039 1.507 0.617 0.720 0.800 0.500 CB 1.070 11 residues pruned to eliminate duplicates Z: 10 15.511 1.900 0.344 0.885 1.000 0.556 CA 1.462 10 residues pruned to eliminate duplicates Z: 12 12.013 1.989 0.305 0.425 1.000 0.636 CB 1.508 12 residues pruned to eliminate duplicates Z: 27 23.516 2.134 0.420 0.668 0.962 0.654 CA 1.356 27 residues pruned to eliminate duplicates Z: 8 6.617 1.660 0.491 0.602 0.714 0.571 CB 1.283 8 residues pruned to eliminate duplicates Z: 41 25.662 1.971 0.732 0.506 0.875 0.600 CB 1.350 42 residues pruned to eliminate duplicates Z: 13 21.397 2.039 0.624 0.896 1.000 1.000 CA 1.336 13 residues pruned to eliminate duplicates Z: 26 31.979 2.015 0.777 0.917 0.960 0.680 CB 1.313 26 residues pruned to eliminate duplicates Z: 15 5.812 1.619 0.443 0.366 0.714 0.571 CB 1.075 15 residues pruned to eliminate duplicates Z: 43 37.630 2.117 0.864 0.587 0.976 0.643 CB 1.387 43 residues pruned to eliminate duplicates Z: 27 38.438 2.181 0.831 0.893 0.923 0.615 CB 1.468 27 residues pruned to eliminate duplicates Z: 42 33.359 2.062 0.721 0.627 0.902 0.634 CB 1.443 42 residues pruned to eliminate duplicates Z: 26 30.961 2.036 0.587 0.938 1.000 0.800 CB 1.333 26 residues pruned to eliminate duplicates Z: 26 25.367 1.969 0.392 0.882 0.960 0.720 CB 1.396 26 residues pruned to eliminate duplicates Z: 13 18.929 1.889 0.650 0.924 0.917 0.917 CA 1.343 13 residues pruned to eliminate duplicates Z: 14 13.132 1.783 0.641 0.704 0.846 0.385 CB 1.222 14 residues pruned to eliminate duplicates Z: 16 14.090 1.752 0.602 0.865 0.933 0.800 CB 1.017 17 residues pruned to eliminate duplicates Z: 40 21.868 1.905 0.218 0.711 1.000 0.795 CB 1.246 40 residues pruned to eliminate duplicates Z: 15 9.208 1.916 0.295 0.270 1.000 0.571 CB 1.288 7 residues pruned to eliminate duplicates Z: 10 10.467 1.720 0.112 0.916 1.000 1.000 CB 1.288 10 residues pruned to eliminate duplicates Z: 7 3.489 1.374 0.874 0.549 0.500 0.333 CB 1.055 6 1.025 1.247 -0.064 0.330 1.000 0.600 CB 0.473 ? Z: 8 2.561 1.317 0.180 0.366 0.857 0.429 CB 0.839 Z: 14 19.962 1.791 0.674 0.900 1.000 0.692 CB 1.320 14 residues pruned to eliminate duplicates Z: 7 4.724 1.597 0.521 0.508 0.833 0.500 CB 0.944 Z: 8 4.697 1.850 0.159 0.302 0.857 0.571 CA 1.205 8 residues pruned to eliminate duplicates Z: 14 24.679 2.103 0.890 0.891 0.923 0.692 CB 1.341 14 residues pruned to eliminate duplicates Z: 13 24.259 1.937 0.856 0.892 1.000 0.583 CB 1.400 13 residues pruned to eliminate duplicates Z: 43 53.405 2.281 0.958 0.627 0.976 0.810 CA 1.676 43 residues pruned to eliminate duplicates Z: 6 2.937 1.535 0.313 0.326 0.800 0.600 CB 0.986 Z: 31 41.598 2.168 0.795 0.825 1.000 0.833 CA 1.473 31 residues pruned to eliminate duplicates Z: 6 4.750 1.379 0.473 0.752 1.000 0.800 O 0.836 6 1.853 1.212 -0.005 0.504 0.800 0.400 CB 0.856 ? Z: 8 3.899 1.539 0.103 0.460 0.857 0.571 CB 1.055 Z: 65 60.393 2.197 0.870 0.735 0.938 0.750 CB 1.587 65 residues pruned to eliminate duplicates Z: 19 9.783 1.588 0.402 0.630 1.000 0.556 CB 0.916 12 residues pruned to eliminate duplicates Z: 12 16.984 1.845 0.826 0.860 0.909 0.636 CB 1.230 12 residues pruned to eliminate duplicates Z: 17 34.826 2.310 0.994 0.877 0.875 0.375 CA 1.569 17 residues pruned to eliminate duplicates Z: 14 17.560 1.791 0.595 0.925 0.923 0.769 CA 1.296 14 residues pruned to eliminate duplicates Z: 6 8.272 1.774 0.304 0.758 1.000 0.600 O 1.272 6 residues pruned to eliminate duplicates Z: 10 8.548 1.687 0.568 0.890 0.889 0.333 CB 0.872 10 residues pruned to eliminate duplicates Z: 12 16.485 1.865 0.645 0.890 1.000 0.545 CB 1.166 12 residues pruned to eliminate duplicates Z: 32 22.769 1.904 0.684 0.793 0.871 0.452 CB 1.133 32 residues pruned to eliminate duplicates Z: 16 13.524 1.772 0.318 0.884 1.000 0.800 CB 1.080 15 residues pruned to eliminate duplicates Z: 13 19.108 2.069 0.514 0.867 0.917 0.750 CA 1.405 13 residues pruned to eliminate duplicates Z: 10 9.083 1.725 0.657 0.772 0.889 0.444 CB 0.937 10 residues pruned to eliminate duplicates Z: 10 6.181 1.354 0.638 0.449 0.889 0.778 CB 1.101 8 residues pruned to eliminate duplicates Z: 17 35.884 2.163 1.268 0.885 0.938 0.562 CA 1.408 17 residues pruned to eliminate duplicates Z: 37 44.401 2.203 0.890 0.626 0.972 0.694 CA 1.624 37 residues pruned to eliminate duplicates Z: 11 13.231 1.815 0.390 0.888 1.000 0.800 CB 1.195 11 residues pruned to eliminate duplicates Z: 7 2.627 1.339 0.108 0.425 0.833 0.333 CB 0.938 Z: 12 6.616 1.522 0.131 0.739 1.000 0.909 CB 0.935 12 residues pruned to eliminate duplicates 6 0.977 1.040 0.276 0.478 1.000 0.400 N 0.336 ? Using tripeptides from previous cycle as seeds Z: 9 5.183 1.661 0.614 0.372 0.750 0.500 CB 1.045 9 residues pruned to eliminate duplicates Z: 7 3.745 1.386 0.720 0.409 0.667 0.500 CB 1.059 8 residues pruned to eliminate duplicates Z: 15 22.466 1.837 0.774 0.896 0.929 0.714 CB 1.421 15 residues pruned to eliminate duplicates Z: 20 15.862 1.858 0.506 0.597 0.895 0.474 CB 1.325 20 residues pruned to eliminate duplicates Z: 19 16.276 1.839 0.676 0.645 0.722 0.389 CB 1.505 19 residues pruned to eliminate duplicates Z: 15 22.239 1.939 0.780 0.766 0.929 0.643 CB 1.464 15 residues pruned to eliminate duplicates Z: 15 25.135 1.938 0.905 0.700 0.929 0.357 CB 1.633 16 residues pruned to eliminate duplicates Z: 14 25.226 1.933 1.012 0.896 0.923 0.538 CB 1.396 15 residues pruned to eliminate duplicates Z: 14 20.633 1.955 0.934 0.820 0.846 0.385 CB 1.355 14 residues pruned to eliminate duplicates Z: 18 25.602 1.898 0.863 0.695 0.941 0.412 CB 1.560 17 residues pruned to eliminate duplicates Z: 13 28.237 1.929 0.971 0.911 1.000 0.667 CB 1.520 13 residues pruned to eliminate duplicates Z: 21 18.423 1.798 0.849 0.605 0.850 0.250 CB 1.320 19 residues pruned to eliminate duplicates Z: 16 23.879 1.936 0.752 0.768 0.933 0.600 CB 1.535 18 residues pruned to eliminate duplicates Z: 14 28.389 1.990 0.940 0.767 1.000 0.462 CB 1.610 14 residues pruned to eliminate duplicates Z: 17 18.311 1.856 0.627 0.626 0.938 0.625 CA 1.436 17 residues pruned to eliminate duplicates Z: 21 21.210 1.854 0.807 0.591 0.900 0.500 CB 1.442 18 residues pruned to eliminate duplicates Z: 11 11.060 1.708 0.261 0.871 1.000 0.600 CB 1.185 11 residues pruned to eliminate duplicates Z: 11 12.078 1.747 0.447 0.828 0.900 0.500 CB 1.264 11 residues pruned to eliminate duplicates Z: 10 14.483 1.786 0.516 0.872 1.000 0.222 CB 1.299 11 residues pruned to eliminate duplicates Z: 11 12.014 1.740 0.490 0.849 0.900 0.300 CB 1.207 11 residues pruned to eliminate duplicates Z: 10 12.539 1.775 0.513 0.857 0.889 0.222 CB 1.291 10 residues pruned to eliminate duplicates Z: 11 13.543 1.740 0.588 0.767 1.000 0.400 CB 1.223 11 residues pruned to eliminate duplicates Z: 11 11.001 1.689 0.318 0.817 0.900 0.500 CB 1.319 11 residues pruned to eliminate duplicates Z: 12 10.231 1.649 0.445 0.791 0.818 0.636 CB 1.225 12 residues pruned to eliminate duplicates Z: 13 11.723 1.681 0.447 0.707 0.917 0.583 CB 1.257 13 residues pruned to eliminate duplicates Z: 11 13.829 1.772 0.492 0.792 1.000 0.700 CB 1.281 11 residues pruned to eliminate duplicates Z: 13 13.740 2.102 0.558 0.390 0.917 0.667 CA 1.485 13 residues pruned to eliminate duplicates Z: 6 7.125 1.689 0.892 0.464 1.000 0.800 CA 1.034 6 residues pruned to eliminate duplicates Z: 6 7.611 1.705 0.815 0.446 1.000 1.000 CA 1.163 6 residues pruned to eliminate duplicates Z: 45 35.644 2.083 0.824 0.622 0.932 0.545 CB 1.352 44 residues pruned to eliminate duplicates Z: 19 23.373 2.121 1.045 0.699 0.833 0.556 CB 1.271 19 residues pruned to eliminate duplicates Z: 44 37.800 2.105 0.821 0.644 0.953 0.698 CB 1.379 45 residues pruned to eliminate duplicates Z: 15 28.484 2.200 0.911 0.863 0.929 0.643 CB 1.431 15 residues pruned to eliminate duplicates Z: 43 37.486 2.128 0.884 0.629 0.929 0.667 CB 1.377 43 residues pruned to eliminate duplicates Z: 41 25.032 2.035 0.742 0.491 0.850 0.525 CB 1.326 41 residues pruned to eliminate duplicates Z: 44 36.600 2.111 0.781 0.644 0.953 0.628 CB 1.362 44 residues pruned to eliminate duplicates Z: 44 35.288 2.108 0.758 0.641 0.930 0.605 CB 1.368 44 residues pruned to eliminate duplicates Z: 44 37.437 2.114 0.862 0.645 0.930 0.605 CB 1.362 44 residues pruned to eliminate duplicates Z: 13 29.067 2.373 0.664 0.909 1.000 0.833 CB 1.508 13 residues pruned to eliminate duplicates Z: 42 40.095 2.152 0.913 0.632 0.976 0.659 CB 1.378 42 residues pruned to eliminate duplicates Z: 44 36.343 2.113 0.790 0.636 0.953 0.442 CB 1.353 44 residues pruned to eliminate duplicates Z: 43 39.397 2.135 0.871 0.642 0.976 0.548 CB 1.365 43 residues pruned to eliminate duplicates Z: 46 34.164 2.079 0.764 0.625 0.933 0.578 CB 1.323 46 residues pruned to eliminate duplicates Z: 46 35.348 2.062 0.893 0.601 0.956 0.444 CB 1.284 46 residues pruned to eliminate duplicates Z: 27 27.174 2.114 0.837 0.565 0.885 0.500 CB 1.457 27 residues pruned to eliminate duplicates Z: 43 39.203 2.121 0.938 0.652 0.929 0.619 CB 1.376 43 residues pruned to eliminate duplicates Z: 46 35.846 2.063 0.789 0.632 0.933 0.556 CB 1.370 46 residues pruned to eliminate duplicates Z: 42 31.163 1.995 0.762 0.601 0.951 0.488 CB 1.323 42 residues pruned to eliminate duplicates Z: 18 15.536 1.847 0.703 0.759 0.941 0.529 CB 1.011 18 residues pruned to eliminate duplicates Z: 45 35.240 2.096 0.789 0.648 0.909 0.545 CB 1.358 45 residues pruned to eliminate duplicates Z: 44 35.942 2.100 0.809 0.631 0.953 0.628 CB 1.338 44 residues pruned to eliminate duplicates Z: 18 16.541 1.873 0.765 0.715 0.941 0.529 CB 1.061 18 residues pruned to eliminate duplicates Z: 17 18.453 1.928 0.866 0.794 0.938 0.438 CB 1.057 17 residues pruned to eliminate duplicates Z: 39 24.265 1.978 0.728 0.571 0.789 0.447 CB 1.362 39 residues pruned to eliminate duplicates Z: 41 28.259 2.062 0.577 0.590 0.925 0.625 CB 1.362 41 residues pruned to eliminate duplicates Z: 16 19.709 1.917 0.929 0.751 0.933 0.667 CB 1.179 16 residues pruned to eliminate duplicates Z: 45 39.705 2.093 0.922 0.633 0.955 0.591 CB 1.376 45 residues pruned to eliminate duplicates Z: 43 38.844 2.146 0.816 0.640 0.952 0.619 CB 1.416 43 residues pruned to eliminate duplicates Z: 19 13.526 1.735 0.662 0.667 0.889 0.444 CB 1.066 19 residues pruned to eliminate duplicates Z: 18 21.227 1.872 0.820 0.747 1.000 0.647 CB 1.212 18 residues pruned to eliminate duplicates Z: 43 34.101 2.084 0.820 0.637 0.881 0.500 CB 1.386 43 residues pruned to eliminate duplicates Z: 107 63.309 2.141 0.800 0.642 0.934 0.594 CB 1.495 107 residues pruned to eliminate duplicates Z: 15 15.127 1.779 0.556 0.690 0.929 0.786 CB 1.321 15 residues pruned to eliminate duplicates Z: 43 27.007 1.988 0.790 0.528 0.905 0.595 CB 1.259 44 residues pruned to eliminate duplicates Z: 6 4.235 1.657 0.235 0.296 1.000 0.400 CA 1.162 6 residues pruned to eliminate duplicates Z: 31 19.808 1.916 0.665 0.521 0.967 0.433 CB 1.149 31 residues pruned to eliminate duplicates Z: 43 24.696 1.974 0.758 0.580 0.952 0.548 CB 1.067 43 residues pruned to eliminate duplicates Z: 12 7.278 1.928 0.158 0.273 1.000 0.455 CB 1.272 12 residues pruned to eliminate duplicates Z: 36 17.052 1.905 0.521 0.489 0.857 0.514 CB 1.173 36 residues pruned to eliminate duplicates Z: 20 12.772 1.936 0.568 0.388 0.842 0.474 CB 1.291 20 residues pruned to eliminate duplicates Z: 42 39.310 2.202 0.631 0.687 0.927 0.756 CA 1.554 42 residues pruned to eliminate duplicates Z: 20 15.471 1.981 0.386 0.432 0.947 0.632 CB 1.464 20 residues pruned to eliminate duplicates Z: 31 34.887 2.204 0.689 0.642 0.967 0.833 CB 1.550 31 residues pruned to eliminate duplicates Z: 38 36.216 2.166 0.560 0.679 0.973 0.730 CA 1.536 44 residues pruned to eliminate duplicates Z: 45 49.035 2.281 0.666 0.729 0.977 0.750 CA 1.619 45 residues pruned to eliminate duplicates Z: 45 54.020 2.241 0.909 0.720 0.955 0.750 CB 1.636 45 residues pruned to eliminate duplicates Z: 45 48.383 2.245 0.739 0.734 0.932 0.750 CA 1.624 45 residues pruned to eliminate duplicates Z: 45 49.853 2.261 0.751 0.727 0.955 0.773 CB 1.620 45 residues pruned to eliminate duplicates Z: 23 22.529 2.108 0.687 0.491 0.955 0.636 CB 1.428 23 residues pruned to eliminate duplicates Z: 51 43.815 2.178 0.748 0.676 0.920 0.740 CB 1.504 51 residues pruned to eliminate duplicates Z: 43 44.291 2.177 0.967 0.626 0.929 0.595 CB 1.526 43 residues pruned to eliminate duplicates Z: 45 47.972 2.239 0.680 0.730 0.977 0.818 CA 1.598 45 residues pruned to eliminate duplicates Z: 43 52.647 2.289 0.735 0.748 0.976 0.857 CB 1.679 43 residues pruned to eliminate duplicates Z: 46 45.241 2.201 0.698 0.712 0.933 0.733 CA 1.596 46 residues pruned to eliminate duplicates Z: 32 34.155 2.188 0.722 0.718 0.968 0.806 CB 1.381 32 residues pruned to eliminate duplicates Z: 48 46.252 2.198 0.704 0.683 0.957 0.809 CB 1.591 48 residues pruned to eliminate duplicates Z: 46 48.472 2.210 0.830 0.734 0.933 0.733 CB 1.551 46 residues pruned to eliminate duplicates Z: 28 48.355 2.243 1.033 0.785 0.963 0.815 CB 1.649 28 residues pruned to eliminate duplicates Z: 27 43.204 2.285 0.911 0.831 0.923 0.808 CA 1.579 27 residues pruned to eliminate duplicates Z: 26 45.332 2.315 0.766 0.869 0.960 0.760 CA 1.688 26 residues pruned to eliminate duplicates Z: 34 36.662 2.190 0.774 0.691 0.909 0.727 CB 1.518 34 residues pruned to eliminate duplicates Z: 27 44.347 2.261 0.862 0.818 0.962 0.808 CB 1.631 27 residues pruned to eliminate duplicates Z: 45 52.453 2.266 0.996 0.731 0.932 0.568 CB 1.525 45 residues pruned to eliminate duplicates Z: 46 59.499 2.237 1.055 0.713 0.978 0.578 CB 1.627 46 residues pruned to eliminate duplicates Z: 45 53.550 2.238 1.094 0.723 0.909 0.477 CB 1.550 45 residues pruned to eliminate duplicates Z: 19 39.865 2.318 1.136 0.768 0.889 0.611 CA 1.684 19 residues pruned to eliminate duplicates Z: 45 49.997 2.240 1.024 0.731 0.886 0.523 CB 1.523 45 residues pruned to eliminate duplicates Z: 23 45.325 2.311 1.063 0.836 0.909 0.500 CB 1.668 23 residues pruned to eliminate duplicates Z: 46 54.412 2.202 1.059 0.719 0.933 0.444 CB 1.572 46 residues pruned to eliminate duplicates Z: 16 27.000 2.205 1.038 0.646 0.800 0.400 CA 1.693 16 residues pruned to eliminate duplicates Z: 16 23.692 2.238 0.869 0.692 0.800 0.467 CB 1.533 16 residues pruned to eliminate duplicates Z: 45 60.328 2.237 1.138 0.735 0.955 0.500 CB 1.613 45 residues pruned to eliminate duplicates Z: 22 33.390 2.181 1.144 0.664 0.810 0.429 CA 1.653 22 residues pruned to eliminate duplicates Z: 42 33.110 2.109 0.822 0.609 0.780 0.512 CB 1.555 42 residues pruned to eliminate duplicates Z: 12 19.065 2.170 0.758 0.672 0.818 0.455 CA 1.572 12 residues pruned to eliminate duplicates Z: 22 40.443 2.318 1.069 0.829 0.857 0.286 CB 1.616 22 residues pruned to eliminate duplicates Z: 53 38.317 2.037 0.869 0.638 0.865 0.404 CB 1.417 53 residues pruned to eliminate duplicates Z: 77 57.425 2.148 0.863 0.702 0.921 0.539 CB 1.487 77 residues pruned to eliminate duplicates Z: 35 34.472 2.129 0.536 0.739 0.971 0.735 CB 1.503 35 residues pruned to eliminate duplicates Z: 8 5.086 1.635 0.314 0.710 0.714 0.714 CB 1.035 8 residues pruned to eliminate duplicates Z: 35 32.602 2.155 0.519 0.741 0.971 0.794 CB 1.419 35 residues pruned to eliminate duplicates Z: 36 28.198 2.101 0.528 0.706 0.886 0.629 CB 1.390 36 residues pruned to eliminate duplicates Z: 10 4.545 1.539 0.753 0.444 0.667 0.556 CB 0.892 10 residues pruned to eliminate duplicates Z: 35 34.549 2.164 0.571 0.734 0.941 0.676 CB 1.500 35 residues pruned to eliminate duplicates Z: 77 64.481 2.212 0.806 0.743 0.961 0.671 CB 1.551 77 residues pruned to eliminate duplicates Z: 33 34.244 2.180 0.513 0.771 0.969 0.719 CB 1.490 33 residues pruned to eliminate duplicates Z: 82 41.758 1.917 0.665 0.687 0.938 0.704 CB 1.305 82 residues pruned to eliminate duplicates Z: 36 33.311 2.131 0.643 0.707 0.914 0.686 CB 1.457 36 residues pruned to eliminate duplicates Z: 23 29.946 2.296 0.508 0.808 0.955 0.818 CA 1.477 23 residues pruned to eliminate duplicates Z: 38 29.829 2.153 0.446 0.697 0.892 0.757 CB 1.475 38 residues pruned to eliminate duplicates Z: 36 31.510 2.145 0.463 0.743 0.943 0.714 CB 1.449 36 residues pruned to eliminate duplicates Z: 36 33.230 2.064 0.767 0.690 0.914 0.629 CB 1.415 36 residues pruned to eliminate duplicates Z: 39 29.968 2.038 0.542 0.653 0.895 0.553 CB 1.499 39 residues pruned to eliminate duplicates Z: 35 36.773 2.163 0.712 0.745 0.912 0.706 CB 1.500 35 residues pruned to eliminate duplicates Z: 34 37.902 2.180 0.713 0.737 0.970 0.636 CB 1.474 34 residues pruned to eliminate duplicates Z: 29 41.199 2.192 0.970 0.823 0.929 0.643 CB 1.468 29 residues pruned to eliminate duplicates Z: 34 42.021 2.179 0.855 0.773 0.939 0.667 CB 1.513 34 residues pruned to eliminate duplicates Z: 35 32.303 2.149 0.895 0.711 0.853 0.559 CB 1.317 35 residues pruned to eliminate duplicates Z: 30 33.436 2.195 0.823 0.648 0.931 0.517 CB 1.452 30 residues pruned to eliminate duplicates Z: 34 43.201 2.152 0.865 0.770 1.000 0.697 CB 1.475 34 residues pruned to eliminate duplicates Z: 35 36.147 2.120 0.883 0.718 0.912 0.529 CB 1.398 35 residues pruned to eliminate duplicates Z: 88 57.043 2.103 0.929 0.697 0.897 0.517 CB 1.405 88 residues pruned to eliminate duplicates Z: 34 35.904 2.114 0.779 0.759 0.970 0.485 CB 1.362 34 residues pruned to eliminate duplicates Z: 28 39.673 2.250 0.978 0.701 0.926 0.370 CB 1.543 28 residues pruned to eliminate duplicates Z: 36 38.046 2.128 0.817 0.754 0.914 0.571 CB 1.451 36 residues pruned to eliminate duplicates Z: 35 39.477 2.144 0.884 0.730 0.971 0.412 CB 1.404 35 residues pruned to eliminate duplicates Z: 30 38.536 2.209 0.823 0.706 0.931 0.414 CB 1.582 30 residues pruned to eliminate duplicates Z: 108 73.675 2.184 0.884 0.694 0.953 0.551 CB 1.521 108 residues pruned to eliminate duplicates Z: 36 38.736 2.141 0.925 0.762 0.914 0.514 CB 1.377 36 residues pruned to eliminate duplicates Z: 34 46.531 2.158 1.019 0.763 1.000 0.515 CB 1.472 34 residues pruned to eliminate duplicates Z: 6 3.771 1.927 0.459 0.264 0.800 0.600 CA 0.982 6 residues pruned to eliminate duplicates Z: 34 31.405 1.939 0.884 0.635 0.879 0.667 CA 1.500 34 residues pruned to eliminate duplicates Z: 100 70.565 2.250 0.913 0.669 0.929 0.586 CB 1.516 100 residues pruned to eliminate duplicates Z: 99 70.516 2.221 0.951 0.677 0.929 0.531 CB 1.504 99 residues pruned to eliminate duplicates Z: 73 60.734 2.212 0.883 0.671 0.931 0.694 CB 1.576 73 residues pruned to eliminate duplicates Z: 72 61.842 2.232 0.868 0.678 0.958 0.718 CB 1.560 72 residues pruned to eliminate duplicates Z: 72 63.070 2.237 0.893 0.676 0.958 0.662 CB 1.569 72 residues pruned to eliminate duplicates Z: 76 64.332 2.257 0.871 0.647 0.947 0.667 CB 1.620 76 residues pruned to eliminate duplicates Z: 63 66.932 2.291 0.890 0.730 0.984 0.726 CA 1.622 63 residues pruned to eliminate duplicates Z: 73 59.146 2.222 0.794 0.659 0.944 0.722 CB 1.597 73 residues pruned to eliminate duplicates Z: 71 63.210 2.258 0.862 0.682 0.943 0.643 CB 1.613 71 residues pruned to eliminate duplicates Z: 70 58.154 2.217 0.869 0.680 0.928 0.696 CA 1.543 70 residues pruned to eliminate duplicates Z: 69 64.952 2.261 0.839 0.689 0.985 0.721 CA 1.617 69 residues pruned to eliminate duplicates Z: 71 60.567 2.233 0.951 0.666 0.900 0.657 CB 1.584 71 residues pruned to eliminate duplicates Z: 67 64.937 2.262 0.825 0.723 0.985 0.697 CA 1.607 67 residues pruned to eliminate duplicates Z: 72 62.999 2.232 0.904 0.675 0.958 0.704 CA 1.563 72 residues pruned to eliminate duplicates Z: 66 68.155 2.265 0.934 0.705 0.985 0.692 CA 1.627 66 residues pruned to eliminate duplicates Z: 28 42.081 2.298 0.963 0.591 0.963 0.556 CA 1.709 28 residues pruned to eliminate duplicates Z: 72 62.428 2.231 0.839 0.680 0.972 0.732 CA 1.574 72 residues pruned to eliminate duplicates Z: 70 58.541 2.248 0.810 0.663 0.942 0.710 CA 1.580 70 residues pruned to eliminate duplicates Z: 71 64.234 2.254 0.844 0.697 0.971 0.786 CA 1.588 71 residues pruned to eliminate duplicates Z: 71 64.035 2.247 0.854 0.688 0.986 0.714 CA 1.569 71 residues pruned to eliminate duplicates Z: 107 72.456 2.214 0.847 0.686 0.953 0.670 CB 1.523 107 residues pruned to eliminate duplicates Z: 70 67.204 2.289 0.878 0.689 0.971 0.783 CA 1.630 70 residues pruned to eliminate duplicates Z: 67 67.650 2.290 0.866 0.715 0.985 0.818 CA 1.628 67 residues pruned to eliminate duplicates Z: 71 62.058 2.242 0.813 0.685 0.971 0.786 CA 1.585 71 residues pruned to eliminate duplicates Z: 71 62.917 2.257 0.838 0.687 0.971 0.771 CA 1.572 71 residues pruned to eliminate duplicates Z: 68 54.204 2.216 0.655 0.710 0.955 0.806 CA 1.562 68 residues pruned to eliminate duplicates Z: 67 55.394 2.243 0.700 0.713 0.955 0.773 CA 1.546 67 residues pruned to eliminate duplicates Z: 72 62.884 2.243 0.786 0.692 0.972 0.690 CA 1.608 72 residues pruned to eliminate duplicates Z: 67 62.444 2.256 0.862 0.719 0.955 0.773 CA 1.571 67 residues pruned to eliminate duplicates Z: 72 60.112 2.242 0.875 0.671 0.930 0.718 CA 1.559 72 residues pruned to eliminate duplicates Z: 72 60.609 2.226 0.792 0.686 0.972 0.690 CA 1.565 72 residues pruned to eliminate duplicates Z: 71 54.590 2.241 0.607 0.676 0.971 0.729 CA 1.586 71 residues pruned to eliminate duplicates Z: 72 66.787 2.250 0.949 0.671 0.972 0.718 CA 1.589 72 residues pruned to eliminate duplicates Z: 71 59.656 2.247 0.789 0.680 0.971 0.686 CA 1.547 71 residues pruned to eliminate duplicates Z: 73 56.255 2.224 0.710 0.661 0.944 0.708 CA 1.590 73 residues pruned to eliminate duplicates Z: 107 70.911 2.184 0.837 0.684 0.934 0.613 CB 1.552 107 residues pruned to eliminate duplicates Z: 75 55.870 2.191 0.750 0.666 0.932 0.676 CA 1.557 75 residues pruned to eliminate duplicates Z: 70 63.510 2.254 0.791 0.687 0.986 0.667 CA 1.619 70 residues pruned to eliminate duplicates Z: 103 75.366 2.205 0.843 0.708 0.980 0.667 CB 1.551 103 residues pruned to eliminate duplicates Z: 79 66.361 2.219 0.902 0.688 0.962 0.718 CB 1.559 79 residues pruned to eliminate duplicates Z: 65 66.180 2.273 0.894 0.730 0.969 0.734 CA 1.612 65 residues pruned to eliminate duplicates Z: 73 62.858 2.226 0.879 0.661 0.958 0.694 CA 1.592 73 residues pruned to eliminate duplicates Z: 72 63.716 2.214 0.933 0.671 0.944 0.662 CB 1.599 72 residues pruned to eliminate duplicates Z: 72 62.179 2.214 0.867 0.664 0.958 0.718 CA 1.601 72 residues pruned to eliminate duplicates Z: 72 63.362 2.258 0.846 0.682 0.958 0.789 CA 1.594 72 residues pruned to eliminate duplicates Z: 105 77.692 2.232 0.956 0.692 0.933 0.635 CB 1.570 105 residues pruned to eliminate duplicates Z: 43 50.019 2.199 0.879 0.737 0.952 0.810 CB 1.585 43 residues pruned to eliminate duplicates Z: 43 49.592 2.191 0.895 0.730 0.952 0.738 CA 1.573 43 residues pruned to eliminate duplicates Z: 80 68.635 2.208 0.949 0.674 0.962 0.646 CA 1.589 80 residues pruned to eliminate duplicates Z: 69 62.352 2.244 0.926 0.706 0.941 0.691 CB 1.542 69 residues pruned to eliminate duplicates Z: 82 62.303 2.163 0.874 0.668 0.938 0.642 CB 1.559 82 residues pruned to eliminate duplicates Z: 72 64.737 2.239 0.895 0.682 0.972 0.690 CA 1.576 72 residues pruned to eliminate duplicates Z: 72 64.699 2.252 0.859 0.671 0.958 0.732 CA 1.635 72 residues pruned to eliminate duplicates Z: 67 60.946 2.223 0.915 0.690 0.955 0.758 CA 1.552 67 residues pruned to eliminate duplicates Z: 72 62.805 2.237 0.889 0.681 0.944 0.662 CB 1.582 72 residues pruned to eliminate duplicates Z: 104 76.396 2.229 0.915 0.703 0.961 0.728 CB 1.525 104 residues pruned to eliminate duplicates Z: 71 65.771 2.259 0.919 0.678 0.957 0.714 CB 1.608 71 residues pruned to eliminate duplicates Z: 71 68.602 2.261 0.998 0.690 0.943 0.686 CA 1.618 71 residues pruned to eliminate duplicates Z: 72 65.058 2.231 0.933 0.684 0.958 0.676 CA 1.579 72 residues pruned to eliminate duplicates Z: 37 51.678 2.216 0.948 0.801 1.000 0.694 CB 1.534 37 residues pruned to eliminate duplicates Z: 67 68.922 2.245 0.961 0.711 0.985 0.667 CA 1.616 67 residues pruned to eliminate duplicates Z: 71 65.387 2.243 0.877 0.691 0.971 0.643 CA 1.605 71 residues pruned to eliminate duplicates Z: 72 67.854 2.239 0.958 0.682 0.972 0.676 CA 1.599 72 residues pruned to eliminate duplicates Z: 68 69.647 2.247 0.994 0.716 0.955 0.776 CA 1.635 68 residues pruned to eliminate duplicates Z: 71 67.520 2.261 0.982 0.678 0.943 0.643 CB 1.621 71 residues pruned to eliminate duplicates Z: 116 73.273 2.179 0.857 0.698 0.930 0.652 CB 1.515 116 residues pruned to eliminate duplicates Z: 72 65.134 2.244 0.942 0.670 0.958 0.704 CB 1.583 72 residues pruned to eliminate duplicates Z: 72 64.687 2.255 0.943 0.671 0.958 0.662 CB 1.563 72 residues pruned to eliminate duplicates Z: 69 65.012 2.217 0.970 0.678 0.956 0.691 CA 1.604 69 residues pruned to eliminate duplicates Z: 69 59.084 2.233 0.994 0.595 0.912 0.662 CB 1.613 69 residues pruned to eliminate duplicates Z: 71 65.885 2.240 0.929 0.675 0.971 0.643 CA 1.596 71 residues pruned to eliminate duplicates Z: 82 61.567 2.183 0.834 0.653 0.938 0.642 CA 1.579 82 residues pruned to eliminate duplicates Z: 83 66.036 2.172 0.939 0.656 0.951 0.671 CB 1.574 83 residues pruned to eliminate duplicates Z: 10 7.605 1.738 0.314 0.669 0.778 0.556 CA 1.221 10 residues pruned to eliminate duplicates Z: 11 13.588 1.909 0.318 0.810 0.900 0.400 CA 1.448 11 residues pruned to eliminate duplicates Z: 12 13.054 1.781 0.323 0.713 1.000 0.636 CA 1.378 12 residues pruned to eliminate duplicates Z: 12 15.519 1.819 0.459 0.730 1.000 0.909 CA 1.433 12 residues pruned to eliminate duplicates Z: 12 12.410 1.849 0.424 0.776 0.818 0.636 CB 1.361 12 residues pruned to eliminate duplicates Z: 10 20.170 1.984 0.619 0.902 1.000 0.556 CA 1.492 11 residues pruned to eliminate duplicates Z: 10 17.191 1.967 0.380 0.896 1.000 0.778 CA 1.512 10 residues pruned to eliminate duplicates Z: 12 11.984 1.746 0.444 0.793 0.818 0.545 CA 1.355 12 residues pruned to eliminate duplicates Z: 23 29.298 2.038 0.690 0.825 0.955 0.545 CB 1.434 23 residues pruned to eliminate duplicates Z: 23 28.377 2.012 0.734 0.861 0.909 0.591 CA 1.401 23 residues pruned to eliminate duplicates Z: 20 33.712 2.093 0.763 0.905 1.000 0.632 CA 1.492 20 residues pruned to eliminate duplicates Z: 20 39.422 2.117 0.956 0.871 1.000 0.421 CB 1.593 20 residues pruned to eliminate duplicates Z: 22 25.342 2.039 0.778 0.856 0.857 0.667 CB 1.313 22 residues pruned to eliminate duplicates Z: 22 37.459 2.114 1.014 0.810 0.952 0.429 CA 1.540 22 residues pruned to eliminate duplicates Z: 21 37.584 2.090 1.034 0.902 1.000 0.400 CB 1.410 21 residues pruned to eliminate duplicates Z: 20 37.885 2.152 1.074 0.845 0.947 0.368 CB 1.528 20 residues pruned to eliminate duplicates Z: 22 37.806 2.095 0.960 0.893 0.952 0.524 CB 1.515 22 residues pruned to eliminate duplicates Z: 22 35.676 2.054 1.093 0.785 0.952 0.429 CB 1.481 22 residues pruned to eliminate duplicates Z: 23 32.651 2.034 0.958 0.815 0.909 0.545 CB 1.462 23 residues pruned to eliminate duplicates Z: 24 30.571 1.999 0.926 0.827 0.913 0.478 CB 1.367 24 residues pruned to eliminate duplicates Z: 24 30.758 1.980 0.913 0.784 0.957 0.522 CB 1.379 23 residues pruned to eliminate duplicates Z: 18 28.969 2.035 0.947 0.861 0.941 0.294 CA 1.384 19 residues pruned to eliminate duplicates Z: 18 31.515 2.072 0.967 0.842 1.000 0.353 CB 1.397 18 residues pruned to eliminate duplicates Z: 18 30.319 2.102 0.901 0.835 0.941 0.647 CA 1.464 18 residues pruned to eliminate duplicates Z: 19 26.470 2.051 0.685 0.840 1.000 0.611 CA 1.347 19 residues pruned to eliminate duplicates Z: 20 27.653 2.016 0.904 0.780 0.947 0.474 CB 1.363 20 residues pruned to eliminate duplicates Z: 39 26.096 1.934 0.546 0.715 0.947 0.711 CB 1.230 39 residues pruned to eliminate duplicates Z: 36 23.893 1.990 0.228 0.749 0.971 0.886 CB 1.362 36 residues pruned to eliminate duplicates Z: 40 24.239 1.876 0.375 0.718 0.974 0.718 CB 1.268 40 residues pruned to eliminate duplicates Z: 102 53.915 2.021 0.690 0.716 0.960 0.762 CB 1.345 98 residues pruned to eliminate duplicates Z: 31 19.828 1.857 0.363 0.772 0.900 0.633 CB 1.249 31 residues pruned to eliminate duplicates Z: 38 22.671 1.954 0.262 0.723 0.973 0.811 CB 1.270 38 residues pruned to eliminate duplicates Z: 28 21.602 1.944 0.295 0.781 0.963 0.889 CB 1.339 28 residues pruned to eliminate duplicates Z: 37 23.629 1.967 0.347 0.727 0.917 0.778 CB 1.322 37 residues pruned to eliminate duplicates Z: 34 27.112 2.031 0.450 0.769 0.970 0.909 CB 1.302 34 residues pruned to eliminate duplicates Z: 33 25.442 2.004 0.451 0.733 0.969 0.750 CB 1.295 33 residues pruned to eliminate duplicates Z: 40 21.715 1.945 0.248 0.706 0.949 0.718 CB 1.253 40 residues pruned to eliminate duplicates Z: 37 22.936 1.957 0.264 0.726 0.972 0.833 CB 1.296 37 residues pruned to eliminate duplicates Z: 33 24.422 1.913 0.439 0.791 0.969 0.750 CB 1.254 33 residues pruned to eliminate duplicates Z: 30 26.595 2.063 0.395 0.799 0.966 0.793 CB 1.369 30 residues pruned to eliminate duplicates Z: 97 52.875 2.035 0.675 0.723 0.958 0.802 CB 1.351 97 residues pruned to eliminate duplicates Z: 31 29.377 2.068 0.642 0.752 0.933 0.700 CB 1.351 31 residues pruned to eliminate duplicates Z: 33 27.264 1.910 0.710 0.806 0.906 0.500 CB 1.247 33 residues pruned to eliminate duplicates Z: 31 31.983 2.062 0.708 0.768 0.967 0.567 CB 1.353 31 residues pruned to eliminate duplicates Z: 31 33.241 2.080 0.690 0.761 1.000 0.700 CB 1.369 31 residues pruned to eliminate duplicates Z: 25 33.354 2.041 0.817 0.884 0.958 0.542 CB 1.384 25 residues pruned to eliminate duplicates Z: 33 29.506 2.051 0.769 0.732 0.938 0.594 CB 1.245 33 residues pruned to eliminate duplicates Z: 31 31.803 2.055 0.683 0.770 0.967 0.533 CB 1.368 31 residues pruned to eliminate duplicates Z: 32 35.525 2.040 0.844 0.793 1.000 0.581 CB 1.312 32 residues pruned to eliminate duplicates Z: 70 46.787 2.070 0.706 0.693 0.942 0.667 CB 1.420 70 residues pruned to eliminate duplicates Z: 95 58.372 2.061 0.822 0.720 0.968 0.745 CB 1.357 96 residues pruned to eliminate duplicates Z: 26 36.247 2.052 0.803 0.919 1.000 0.720 CB 1.381 26 residues pruned to eliminate duplicates Z: 50 44.105 1.992 0.922 0.777 0.959 0.714 CB 1.344 50 residues pruned to eliminate duplicates Z: 31 32.910 2.066 0.763 0.760 1.000 0.800 CB 1.309 31 residues pruned to eliminate duplicates Z: 58 37.327 1.909 0.815 0.772 0.947 0.649 CB 1.184 58 residues pruned to eliminate duplicates Z: 35 31.755 2.026 0.646 0.768 0.971 0.647 CB 1.327 35 residues pruned to eliminate duplicates Z: 32 30.259 2.081 0.731 0.751 0.935 0.742 CB 1.290 32 residues pruned to eliminate duplicates Z: 38 27.170 1.977 0.631 0.699 0.919 0.514 CB 1.257 38 residues pruned to eliminate duplicates Z: 32 27.498 2.092 0.712 0.739 0.839 0.548 CB 1.327 32 residues pruned to eliminate duplicates Z: 91 53.970 2.072 0.767 0.705 0.944 0.622 CB 1.365 91 residues pruned to eliminate duplicates Z: 6 5.976 2.071 0.579 0.281 0.800 0.400 CB 1.307 6 residues pruned to eliminate duplicates Z: 69 49.471 2.075 0.800 0.677 0.971 0.809 CB 1.406 69 residues pruned to eliminate duplicates Z: 67 41.170 2.013 0.886 0.634 0.894 0.485 CB 1.316 67 residues pruned to eliminate duplicates Z: 70 46.695 2.040 0.823 0.681 0.957 0.725 CB 1.338 70 residues pruned to eliminate duplicates Z: 67 45.363 2.015 0.764 0.705 0.985 0.833 CB 1.324 67 residues pruned to eliminate duplicates Z: 30 27.240 2.032 1.017 0.563 0.828 0.414 CB 1.402 30 residues pruned to eliminate duplicates Z: 66 49.804 2.028 0.861 0.704 0.969 0.708 CB 1.403 66 residues pruned to eliminate duplicates Z: 65 44.805 2.022 0.836 0.701 0.922 0.703 CB 1.363 65 residues pruned to eliminate duplicates Z: 101 44.116 1.894 0.717 0.651 0.940 0.680 CB 1.253 96 residues pruned to eliminate duplicates Z: 20 39.459 2.147 1.142 0.816 1.000 0.789 CA 1.495 20 residues pruned to eliminate duplicates Z: 62 45.896 2.013 0.798 0.739 0.967 0.721 CB 1.355 62 residues pruned to eliminate duplicates Z: 27 31.949 2.077 1.002 0.615 0.923 0.615 CB 1.465 27 residues pruned to eliminate duplicates Z: 60 50.976 2.048 0.808 0.796 1.000 0.814 CB 1.383 60 residues pruned to eliminate duplicates Z: 21 36.641 2.167 0.997 0.741 0.950 0.750 CB 1.605 21 residues pruned to eliminate duplicates Z: 65 44.821 2.030 0.744 0.727 0.969 0.797 CB 1.331 65 residues pruned to eliminate duplicates Z: 72 39.893 1.964 0.731 0.648 0.944 0.718 CB 1.286 72 residues pruned to eliminate duplicates Z: 66 47.964 2.026 0.769 0.729 0.985 0.723 CB 1.372 66 residues pruned to eliminate duplicates Z: 74 45.161 1.947 0.777 0.744 0.932 0.740 CB 1.318 84 residues pruned to eliminate duplicates Z: 39 42.823 2.107 0.868 0.711 0.974 0.868 CA 1.497 39 residues pruned to eliminate duplicates Z: 61 50.601 2.053 0.826 0.752 1.000 0.800 CB 1.392 61 residues pruned to eliminate duplicates Z: 93 54.697 2.026 0.834 0.744 0.946 0.696 CB 1.305 93 residues pruned to eliminate duplicates Z: 65 50.246 2.040 0.819 0.729 1.000 0.719 CB 1.377 65 residues pruned to eliminate duplicates Z: 66 48.656 2.031 0.861 0.725 0.954 0.754 CB 1.366 66 residues pruned to eliminate duplicates Z: 76 45.567 1.977 0.862 0.642 0.960 0.680 CB 1.304 76 residues pruned to eliminate duplicates Z: 64 46.470 2.052 0.708 0.729 0.984 0.841 CB 1.382 64 residues pruned to eliminate duplicates Z: 65 46.186 2.051 0.790 0.670 0.969 0.703 CB 1.388 65 residues pruned to eliminate duplicates Z: 87 48.074 1.961 0.814 0.695 0.953 0.756 CB 1.279 87 residues pruned to eliminate duplicates Z: 75 45.510 1.986 0.738 0.678 0.973 0.757 CB 1.337 75 residues pruned to eliminate duplicates Z: 62 50.955 2.050 0.780 0.750 1.000 0.836 CB 1.430 62 residues pruned to eliminate duplicates Z: 37 26.076 2.071 0.605 0.530 0.861 0.639 CA 1.475 37 residues pruned to eliminate duplicates Z: 69 41.735 2.061 0.686 0.607 0.926 0.676 CA 1.420 69 residues pruned to eliminate duplicates Z: 67 45.301 2.000 0.759 0.703 0.970 0.818 CB 1.359 67 residues pruned to eliminate duplicates Z: 65 49.381 2.053 0.729 0.741 1.000 0.828 CB 1.402 65 residues pruned to eliminate duplicates Z: 62 51.263 2.054 0.776 0.769 1.000 0.820 CB 1.418 62 residues pruned to eliminate duplicates Z: 76 44.667 2.016 0.755 0.623 0.947 0.733 CB 1.372 76 residues pruned to eliminate duplicates Z: 66 42.171 2.012 0.687 0.708 0.969 0.846 CB 1.317 66 residues pruned to eliminate duplicates Z: 69 43.930 1.978 0.702 0.705 0.985 0.794 CB 1.332 69 residues pruned to eliminate duplicates Z: 66 46.637 2.030 0.722 0.738 0.985 0.800 CB 1.358 66 residues pruned to eliminate duplicates Z: 64 45.688 2.064 0.719 0.710 0.968 0.857 CB 1.384 64 residues pruned to eliminate duplicates Z: 30 28.462 1.897 0.791 0.752 0.931 0.828 CB 1.334 30 residues pruned to eliminate duplicates Z: 69 44.195 2.007 0.688 0.708 0.985 0.735 CB 1.329 69 residues pruned to eliminate duplicates Z: 65 45.655 2.047 0.731 0.718 0.969 0.844 CB 1.365 65 residues pruned to eliminate duplicates Z: 61 48.440 2.047 0.745 0.772 1.000 0.850 CB 1.377 61 residues pruned to eliminate duplicates Z: 60 49.359 2.047 0.821 0.768 0.966 0.831 CB 1.408 60 residues pruned to eliminate duplicates Z: 65 45.203 2.024 0.736 0.708 0.969 0.781 CB 1.374 65 residues pruned to eliminate duplicates Z: 62 45.313 2.054 0.727 0.713 1.000 0.770 CA 1.348 62 residues pruned to eliminate duplicates Z: 72 46.026 1.990 0.801 0.657 0.972 0.746 CB 1.355 72 residues pruned to eliminate duplicates Z: 61 48.035 2.041 0.828 0.761 0.967 0.800 CB 1.363 61 residues pruned to eliminate duplicates Z: 65 48.455 2.033 0.822 0.725 0.984 0.734 CB 1.357 65 residues pruned to eliminate duplicates Z: 72 50.992 2.005 0.895 0.685 0.986 0.746 CB 1.364 72 residues pruned to eliminate duplicates Z: 72 43.336 1.986 0.745 0.651 0.958 0.676 CB 1.347 72 residues pruned to eliminate duplicates Z: 66 45.459 2.011 0.682 0.727 0.985 0.785 CA 1.380 66 residues pruned to eliminate duplicates Z: 66 46.204 2.082 0.749 0.658 0.954 0.754 CB 1.425 66 residues pruned to eliminate duplicates Z: 58 48.738 2.057 0.899 0.722 0.947 0.702 CA 1.428 58 residues pruned to eliminate duplicates Z: 66 51.966 2.050 0.872 0.722 1.000 0.723 CB 1.374 66 residues pruned to eliminate duplicates Z: 61 50.987 2.068 0.804 0.771 1.000 0.833 CB 1.388 61 residues pruned to eliminate duplicates Z: 65 52.205 2.052 0.928 0.744 0.984 0.750 CB 1.346 65 residues pruned to eliminate duplicates Z: 72 46.529 1.996 0.802 0.683 0.972 0.690 CB 1.335 72 residues pruned to eliminate duplicates Z: 30 31.071 1.940 0.947 0.805 0.966 0.793 CB 1.213 30 residues pruned to eliminate duplicates Z: 71 46.047 2.007 0.808 0.673 0.971 0.786 CB 1.332 71 residues pruned to eliminate duplicates Z: 65 49.871 2.059 0.825 0.713 1.000 0.797 CB 1.369 65 residues pruned to eliminate duplicates Z: 96 53.962 2.059 0.754 0.715 0.947 0.684 CB 1.331 96 residues pruned to eliminate duplicates Z: 52 52.124 2.090 0.789 0.835 1.000 0.824 CB 1.463 52 residues pruned to eliminate duplicates Z: 63 50.376 2.025 0.910 0.752 0.968 0.726 CB 1.366 63 residues pruned to eliminate duplicates Z: 69 44.657 1.981 0.806 0.678 0.941 0.691 CB 1.365 69 residues pruned to eliminate duplicates Z: 10 4.026 1.422 0.651 0.414 0.778 0.333 N 0.804 Z: 6 4.120 1.330 0.194 0.662 1.000 0.600 N 0.999 6 residues pruned to eliminate duplicates Z: 21 13.170 1.719 0.589 0.611 0.900 0.750 CB 1.078 21 residues pruned to eliminate duplicates Z: 47 16.336 1.652 0.509 0.587 0.891 0.609 CB 0.997 57 residues pruned to eliminate duplicates Z: 28 17.056 1.735 0.615 0.643 0.926 0.630 CB 1.107 28 residues pruned to eliminate duplicates Z: 15 15.844 1.878 0.639 0.723 0.929 0.643 CB 1.212 15 residues pruned to eliminate duplicates Z: 14 13.662 1.889 0.585 0.800 0.769 0.769 CA 1.265 14 residues pruned to eliminate duplicates Z: 30 15.059 1.734 0.579 0.609 0.897 0.517 CB 1.027 30 residues pruned to eliminate duplicates Z: 39 18.088 1.746 0.434 0.653 0.895 0.684 CB 1.136 39 residues pruned to eliminate duplicates Z: 35 17.238 1.739 0.504 0.705 0.853 0.676 CB 1.100 35 residues pruned to eliminate duplicates Z: 26 13.400 1.714 0.457 0.575 0.840 0.560 CB 1.188 26 residues pruned to eliminate duplicates Z: 21 11.069 1.756 0.362 0.550 0.800 0.600 CA 1.232 21 residues pruned to eliminate duplicates Z: 17 15.161 1.846 0.504 0.717 0.812 0.625 CB 1.380 17 residues pruned to eliminate duplicates Z: 29 20.277 1.722 0.782 0.665 0.929 0.643 CB 1.154 29 residues pruned to eliminate duplicates Z: 23 12.665 1.780 0.537 0.550 0.773 0.636 CB 1.217 23 residues pruned to eliminate duplicates Z: 15 12.927 1.855 0.616 0.687 0.786 0.643 CB 1.235 15 residues pruned to eliminate duplicates Z: 22 13.817 1.821 0.537 0.538 0.857 0.667 CB 1.210 22 residues pruned to eliminate duplicates Z: 30 17.966 1.781 0.632 0.685 0.828 0.621 CB 1.170 30 residues pruned to eliminate duplicates Z: 33 16.854 1.731 0.586 0.714 0.875 0.688 CB 1.022 35 residues pruned to eliminate duplicates Z: 13 6.961 1.537 0.444 0.700 1.000 0.750 CB 0.755 13 residues pruned to eliminate duplicates Z: 34 19.705 1.741 0.568 0.710 0.909 0.606 CB 1.142 34 residues pruned to eliminate duplicates Z: 18 8.026 1.535 0.381 0.467 0.941 0.471 CB 1.010 18 residues pruned to eliminate duplicates Z: 21 8.756 1.552 0.526 0.604 0.800 0.550 CB 0.936 21 residues pruned to eliminate duplicates Z: 34 13.718 1.706 0.483 0.500 0.848 0.455 CB 1.112 34 residues pruned to eliminate duplicates Z: 19 14.062 1.585 0.637 0.704 1.000 0.667 CB 1.061 19 residues pruned to eliminate duplicates Z: 12 12.234 1.599 0.556 0.831 1.000 0.636 CB 1.114 11 residues pruned to eliminate duplicates Z: 13 11.519 1.548 0.455 0.791 1.000 0.583 CB 1.143 13 residues pruned to eliminate duplicates Z: 41 18.356 1.714 0.504 0.635 0.900 0.650 CB 1.101 41 residues pruned to eliminate duplicates Z: 19 10.185 1.600 0.501 0.686 0.889 0.444 CB 0.948 19 residues pruned to eliminate duplicates Z: 16 6.976 1.604 0.278 0.423 0.867 0.400 CB 1.098 16 residues pruned to eliminate duplicates Z: 19 12.442 1.621 0.525 0.733 0.944 0.444 CB 1.019 19 residues pruned to eliminate duplicates 404 residues left after pruning, divided into chains as follows: A: 7 B: 20 C: 208 D: 10 E: 159 CC for partial structure against native data = 38.97 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.487, Connect. = 0.740 for dens.mod. cycle 1 = 0.301, Contrast = 0.566, Connect. = 0.766 for dens.mod. cycle 2 = 0.302, Contrast = 0.678, Connect. = 0.796 for dens.mod. cycle 3 = 0.301, Contrast = 0.685, Connect. = 0.797 for dens.mod. cycle 4 = 0.302, Contrast = 0.698, Connect. = 0.799 for dens.mod. cycle 5 = 0.302, Contrast = 0.701, Connect. = 0.800 for dens.mod. cycle 6 = 0.302, Contrast = 0.707, Connect. = 0.802 for dens.mod. cycle 7 = 0.302, Contrast = 0.709, Connect. = 0.802 for dens.mod. cycle 8 = 0.302, Contrast = 0.713, Connect. = 0.803 for dens.mod. cycle 9 = 0.302, Contrast = 0.713, Connect. = 0.804 for dens.mod. cycle 10 Estimated mean FOM and mapCC as a function of resolution d inf - 4.37 - 3.46 - 3.02 - 2.74 - 2.54 - 2.39 - 2.27 - 2.17 - 2.08 - 1.91 0.753 0.735 0.716 0.710 0.700 0.715 0.749 0.715 0.683 0.601 0.909 0.877 0.885 0.887 0.886 0.904 0.930 0.917 0.888 0.844 N 3896 3925 3902 3940 3958 3934 3869 3786 3944 3740 Estimated mean FOM = 0.708 Pseudo-free CC = 72.97 % Best trace (cycle 1 with CC 40.46%) was saved as ./2fno-1.9-parrot-hancs/2fno-1.9-parrot-hancs.pdb ============================================================================== CPU times required in seconds ----------------------------- 0.8 - Setup, data input and phasing 7.0 - FFTs and peak-searches 25.6 - Sphere of influence 0.4 - Rest of density modification 0.0 - Alpha-helix search 1323.1 - Tripeptide search 8403.7 - Chain tracing 0.0 - NCS analysis 22.5 - B-value refinement for trace 0.2 - Rest of tracing 0.0 - Comparison with known structure ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE finished at 17:53:41 Total time: 9783.36 secs + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ TimeTaking 163.91 Used memory is bytes: 24468320