++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 01:29:58 on 15 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phi -a -n -t20 Cell and symmetry only from ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.ins Phases from ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phi Native data from ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.hkl Listing output to ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.lst Phases output to ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phs Poly-Ala trace output to ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: H 3 2 Allowed origin shift code: 10 64556 Reflections read from file ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.phi 64556 Reflections read from file ./2oyo-1.5-parrot-noncs/2oyo-1.5-parrot-noncs.hkl 64556 Unique data, highest resolution = 1.510 Angstroms Anisotropic scaling: intensities multiplied by 0.000043h^2 +0.000043k^2 -0.000077l^2 +0.000000kl +0.000000hl +0.000043hk 9 Reflections with d > 1.710 and 0 in range 1.710 > d > 1.510 added Density sharpening factor set to 1.49 Fourier grid = 512 x 512 x 37 0.000 <= z <= 0.167 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.567 ** -f missing ?? ** = 0.300, Contrast = 0.541, Connect. = 0.828 for dens.mod. cycle 1 = 0.300, Contrast = 0.599, Connect. = 0.832 for dens.mod. cycle 2 = 0.300, Contrast = 0.690, Connect. = 0.845 for dens.mod. cycle 3 = 0.300, Contrast = 0.707, Connect. = 0.848 for dens.mod. cycle 4 = 0.300, Contrast = 0.717, Connect. = 0.850 for dens.mod. cycle 5 = 0.300, Contrast = 0.723, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.728, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.731, Connect. = 0.852 for dens.mod. cycle 8 = 0.300, Contrast = 0.734, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.736, Connect. = 0.853 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2464 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 547 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 17 35.725 2.315 0.736 0.912 1.000 0.938 CB 1.574 B: 16 45.097 2.342 0.907 0.915 1.000 0.867 CA 1.843 C: 26 69.054 2.454 1.496 0.940 1.000 0.920 CB 1.566 D: 16 41.314 2.365 1.016 0.922 0.933 0.800 CB 1.686 E: 27 51.084 2.338 1.177 0.928 0.923 0.885 CB 1.493 27 residues pruned to eliminate duplicates F: 17 33.787 2.246 0.580 0.950 1.000 1.000 CA 1.641 17 residues pruned to eliminate duplicates G: 18 38.511 2.274 1.082 0.902 1.000 0.824 CB 1.408 17 residues pruned to eliminate duplicates H: 18 42.567 2.263 0.924 0.930 1.000 0.882 CB 1.658 17 residues pruned to eliminate duplicates I: 17 40.781 2.306 1.090 0.904 0.875 0.812 CB 1.722 17 residues pruned to eliminate duplicates J: 18 41.337 2.253 0.840 0.952 1.000 0.882 CB 1.666 K: 16 38.876 2.299 0.860 0.920 1.000 0.933 CB 1.653 L: 18 41.820 2.247 0.893 0.929 1.000 0.824 CB 1.668 18 residues pruned to eliminate duplicates M: 27 49.039 2.380 0.939 0.902 0.962 0.962 CB 1.546 27 residues pruned to eliminate duplicates N: 18 44.761 2.295 0.982 0.942 1.000 0.941 CB 1.656 18 residues pruned to eliminate duplicates O: 17 40.530 2.322 1.119 0.906 1.000 0.750 CB 1.465 P: 26 72.254 2.433 1.446 0.926 1.000 0.800 CB 1.702 Q: 17 41.805 2.256 0.892 0.948 1.000 1.000 CA 1.691 R: 18 41.666 2.165 0.989 0.924 1.000 0.824 CB 1.648 19 residues pruned to eliminate duplicates S: 19 31.353 2.262 0.878 0.918 0.889 0.889 CB 1.380 19 residues pruned to eliminate duplicates T: 27 59.099 2.337 1.401 0.903 0.962 0.654 CB 1.531 27 residues pruned to eliminate duplicates U: 18 42.024 2.272 0.949 0.920 0.941 0.824 CB 1.723 17 residues pruned to eliminate duplicates V: 26 68.629 2.428 1.408 0.949 0.960 0.920 CB 1.687 26 residues pruned to eliminate duplicates W: 26 63.111 2.398 1.385 0.917 1.000 0.800 CB 1.557 27 residues pruned to eliminate duplicates X: 18 47.521 2.302 1.066 0.941 1.000 0.765 CB 1.681 18 residues pruned to eliminate duplicates Y: 17 35.028 2.245 0.677 0.908 1.000 0.875 CA 1.652 Z: 18 46.723 2.350 1.136 0.954 1.000 0.765 CB 1.553 18 residues pruned to eliminate duplicates Z: 27 58.682 2.335 1.115 0.906 1.000 0.923 CB 1.657 27 residues pruned to eliminate duplicates Z: 17 37.372 2.190 0.835 0.898 1.000 0.875 CA 1.663 17 residues pruned to eliminate duplicates Z: 26 55.846 2.417 0.924 0.933 1.000 0.920 CB 1.676 26 residues pruned to eliminate duplicates Z: 18 42.214 2.213 1.157 0.863 1.000 0.765 CB 1.574 17 residues pruned to eliminate duplicates Z: 18 40.306 2.290 0.826 0.934 0.941 0.882 CB 1.732 18 residues pruned to eliminate duplicates Z: 10 19.390 2.109 0.488 0.768 1.000 0.556 C 1.625 Z: 10 22.155 2.161 0.708 0.751 1.000 0.556 C 1.599 Z: 18 44.055 2.300 0.894 0.916 1.000 0.824 CB 1.732 18 residues pruned to eliminate duplicates Z: 26 53.815 2.395 1.130 0.908 0.960 0.960 CB 1.561 26 residues pruned to eliminate duplicates Z: 18 50.690 2.363 1.197 0.941 1.000 0.941 CB 1.644 18 residues pruned to eliminate duplicates Z: 18 45.946 2.317 0.907 0.930 1.000 0.941 CB 1.764 16 residues pruned to eliminate duplicates Z: 25 50.596 2.248 1.262 0.928 0.958 0.750 CB 1.484 25 residues pruned to eliminate duplicates Z: 18 41.669 2.271 1.002 0.954 1.000 0.941 CB 1.529 18 residues pruned to eliminate duplicates Z: 18 40.798 2.282 1.050 0.894 1.000 0.941 CB 1.517 18 residues pruned to eliminate duplicates Z: 17 51.456 2.288 1.188 0.940 1.000 0.938 CB 1.785 18 residues pruned to eliminate duplicates Z: 20 41.570 2.275 1.004 0.952 1.000 0.842 CB 1.441 20 residues pruned to eliminate duplicates Z: 17 46.721 2.195 1.361 0.938 0.938 0.750 CB 1.672 17 residues pruned to eliminate duplicates Z: 16 36.914 2.273 0.770 0.926 1.000 0.933 CB 1.662 16 residues pruned to eliminate duplicates Z: 17 39.788 2.379 0.880 0.934 1.000 0.938 CB 1.552 17 residues pruned to eliminate duplicates Z: 18 40.989 2.285 1.007 0.935 1.000 0.941 CB 1.511 18 residues pruned to eliminate duplicates Z: 18 39.691 2.308 0.984 0.903 1.000 0.824 CB 1.499 17 residues pruned to eliminate duplicates Z: 18 45.268 2.258 0.931 0.907 1.000 0.882 CB 1.790 18 residues pruned to eliminate duplicates Z: 27 54.469 2.355 1.206 0.922 0.962 0.808 CB 1.503 27 residues pruned to eliminate duplicates Z: 17 40.097 2.150 0.990 0.922 1.000 0.812 CB 1.647 16 residues pruned to eliminate duplicates Z: 11 19.901 1.977 0.697 0.740 1.000 0.600 C 1.512 11 residues pruned to eliminate duplicates Z: 17 40.347 2.261 1.080 0.914 1.000 0.875 CB 1.517 17 residues pruned to eliminate duplicates Z: 18 40.874 2.306 0.892 0.923 0.941 0.824 CA 1.697 18 residues pruned to eliminate duplicates Z: 16 53.638 2.329 1.384 0.946 1.000 0.867 CB 1.725 16 residues pruned to eliminate duplicates Z: 27 61.168 2.295 1.450 0.895 0.962 0.885 CB 1.591 27 residues pruned to eliminate duplicates Z: 8 6.579 1.547 0.394 0.704 0.857 0.429 CA 1.117 Z: 16 34.872 2.265 0.750 0.923 1.000 1.000 CB 1.596 16 residues pruned to eliminate duplicates Z: 18 34.820 2.250 0.785 0.901 1.000 0.941 CB 1.501 18 residues pruned to eliminate duplicates Z: 26 66.308 2.401 1.335 0.937 1.000 0.880 CB 1.646 26 residues pruned to eliminate duplicates Z: 18 49.563 2.289 1.110 0.944 1.000 0.941 CB 1.723 18 residues pruned to eliminate duplicates Z: 27 50.364 2.369 0.978 0.918 0.962 0.885 CB 1.547 27 residues pruned to eliminate duplicates Z: 27 54.897 2.352 1.219 0.947 0.962 0.846 CB 1.483 27 residues pruned to eliminate duplicates Z: 16 34.587 2.213 0.768 0.949 1.000 1.000 CA 1.575 16 residues pruned to eliminate duplicates Z: 17 39.847 2.299 1.091 0.922 0.938 0.875 CB 1.555 17 residues pruned to eliminate duplicates Z: 16 29.914 2.044 0.747 0.862 1.000 0.667 CB 1.588 Z: 19 48.049 2.276 1.324 0.948 1.000 0.944 CB 1.479 19 residues pruned to eliminate duplicates Z: 18 39.319 2.284 0.971 0.912 1.000 0.824 CB 1.500 18 residues pruned to eliminate duplicates Z: 19 51.761 2.188 1.297 0.948 1.000 0.889 CA 1.677 19 residues pruned to eliminate duplicates Z: 11 21.446 2.163 0.432 0.898 1.000 1.000 C 1.565 Z: 16 33.731 2.249 0.662 0.910 1.000 0.933 CB 1.652 16 residues pruned to eliminate duplicates Z: 27 61.731 2.360 1.427 0.913 1.000 0.808 CB 1.496 27 residues pruned to eliminate duplicates Z: 8 9.716 1.713 0.449 0.776 1.000 0.571 CA 1.160 8 residues pruned to eliminate duplicates Z: 18 41.167 2.270 0.963 0.946 1.000 0.824 CB 1.550 18 residues pruned to eliminate duplicates Z: 18 46.697 2.272 1.029 0.950 1.000 0.941 CB 1.695 18 residues pruned to eliminate duplicates Z: 17 34.523 2.307 0.783 0.893 1.000 0.938 CB 1.506 17 residues pruned to eliminate duplicates Z: 17 39.222 2.375 0.896 0.923 1.000 0.938 CB 1.530 18 residues pruned to eliminate duplicates Z: 15 27.559 2.153 0.596 0.934 1.000 1.000 CB 1.495 16 residues pruned to eliminate duplicates Z: 15 35.612 2.222 0.866 0.936 1.000 1.000 CB 1.598 15 residues pruned to eliminate duplicates Z: 18 42.086 2.268 0.843 0.947 1.000 1.000 CB 1.687 18 residues pruned to eliminate duplicates Z: 17 48.569 2.352 1.090 0.932 1.000 0.938 CB 1.725 17 residues pruned to eliminate duplicates Z: 17 44.340 2.347 0.995 0.931 1.000 0.938 CB 1.654 17 residues pruned to eliminate duplicates Z: 26 68.567 2.445 1.443 0.933 1.000 0.880 CB 1.602 26 residues pruned to eliminate duplicates Z: 18 40.748 2.149 1.063 0.905 1.000 0.824 CB 1.587 18 residues pruned to eliminate duplicates Z: 27 60.293 2.317 1.481 0.901 0.962 0.654 CB 1.528 27 residues pruned to eliminate duplicates Z: 11 17.231 2.038 0.407 0.906 0.900 0.800 CB 1.502 Z: 19 46.257 2.290 0.968 0.916 1.000 0.944 CB 1.708 19 residues pruned to eliminate duplicates Z: 18 43.478 2.232 1.285 0.882 1.000 0.765 CB 1.496 18 residues pruned to eliminate duplicates Z: 17 38.030 2.243 0.810 0.889 1.000 0.938 CB 1.686 17 residues pruned to eliminate duplicates Z: 27 58.096 2.322 1.250 0.902 0.962 0.808 CB 1.617 27 residues pruned to eliminate duplicates Z: 18 35.934 2.230 0.734 0.852 1.000 0.824 CB 1.668 18 residues pruned to eliminate duplicates Z: 19 40.373 2.294 0.911 0.950 0.944 0.944 CB 1.586 19 residues pruned to eliminate duplicates Z: 15 25.424 2.156 0.528 0.925 1.000 0.929 CB 1.448 15 residues pruned to eliminate duplicates Z: 11 21.816 2.026 0.510 0.871 1.000 0.700 C 1.645 11 residues pruned to eliminate duplicates Z: 18 33.467 2.269 0.733 0.915 1.000 0.941 CB 1.459 18 residues pruned to eliminate duplicates Z: 6 5.008 1.713 0.072 0.567 0.800 0.400 CA 1.428 6 residues pruned to eliminate duplicates Z: 11 22.208 2.028 0.483 0.914 1.000 0.900 CB 1.651 11 residues pruned to eliminate duplicates Z: 18 34.620 2.281 0.854 0.921 0.941 0.882 CB 1.486 18 residues pruned to eliminate duplicates Z: 18 38.401 2.232 0.889 0.932 1.000 0.941 CB 1.542 18 residues pruned to eliminate duplicates Z: 18 37.602 2.278 1.075 0.903 1.000 0.882 CB 1.375 18 residues pruned to eliminate duplicates Z: 16 34.215 2.264 0.694 0.920 1.000 0.933 CB 1.622 16 residues pruned to eliminate duplicates Z: 17 46.487 2.254 1.256 0.927 1.000 0.938 CB 1.602 17 residues pruned to eliminate duplicates Z: 18 50.202 2.241 1.225 0.939 0.941 0.882 CB 1.802 18 residues pruned to eliminate duplicates Z: 26 57.416 2.382 1.048 0.931 1.000 0.920 CB 1.645 26 residues pruned to eliminate duplicates Z: 16 27.624 2.089 0.657 0.888 1.000 0.867 CB 1.485 16 residues pruned to eliminate duplicates Z: 11 21.410 2.020 0.502 0.874 1.000 0.900 C 1.624 11 residues pruned to eliminate duplicates Z: 26 74.931 2.428 1.486 0.947 1.000 0.920 CB 1.715 26 residues pruned to eliminate duplicates Z: 10 22.891 2.080 0.742 0.923 0.889 0.889 CB 1.665 10 residues pruned to eliminate duplicates Z: 6 14.696 2.159 0.438 0.839 1.000 0.800 CB 1.582 7 residues pruned to eliminate duplicates Z: 26 73.632 2.426 1.498 0.931 1.000 0.880 CB 1.699 26 residues pruned to eliminate duplicates Z: 26 64.448 2.391 1.442 0.907 1.000 0.840 CB 1.569 26 residues pruned to eliminate duplicates Z: 25 70.858 2.474 1.312 0.915 1.000 0.875 CB 1.788 25 residues pruned to eliminate duplicates Z: 27 61.488 2.344 1.548 0.904 1.000 0.731 CB 1.439 27 residues pruned to eliminate duplicates Z: 17 35.718 2.246 0.659 0.921 1.000 1.000 CB 1.687 17 residues pruned to eliminate duplicates Z: 17 41.024 2.250 0.927 0.893 1.000 0.938 CB 1.698 17 residues pruned to eliminate duplicates Z: 19 50.499 2.197 1.183 0.930 1.000 0.889 CB 1.735 19 residues pruned to eliminate duplicates Z: 15 32.596 2.175 0.863 0.938 1.000 0.929 CB 1.495 15 residues pruned to eliminate duplicates Z: 17 39.557 2.289 1.241 0.939 0.938 0.938 CB 1.430 17 residues pruned to eliminate duplicates Z: 16 33.978 2.251 0.704 0.913 1.000 0.867 CB 1.618 16 residues pruned to eliminate duplicates Z: 24 40.883 2.204 0.851 0.915 0.913 0.826 CB 1.617 24 residues pruned to eliminate duplicates Z: 17 41.244 2.201 0.946 0.936 1.000 1.000 CA 1.676 17 residues pruned to eliminate duplicates Z: 19 51.471 2.210 1.124 0.940 1.000 0.833 CA 1.796 19 residues pruned to eliminate duplicates Z: 15 28.318 2.152 0.613 0.932 1.000 0.857 CB 1.523 15 residues pruned to eliminate duplicates Z: 18 48.229 2.385 1.252 0.939 1.000 0.941 CB 1.514 18 residues pruned to eliminate duplicates Z: 16 34.350 2.254 0.690 0.934 1.000 0.800 CB 1.624 16 residues pruned to eliminate duplicates Z: 26 50.601 2.370 1.087 0.937 0.960 0.920 CB 1.483 26 residues pruned to eliminate duplicates Z: 26 60.326 2.417 1.141 0.924 0.960 0.840 CB 1.706 26 residues pruned to eliminate duplicates Z: 17 36.680 2.225 0.779 0.907 1.000 0.875 CA 1.646 17 residues pruned to eliminate duplicates Z: 26 59.668 2.435 1.003 0.927 1.000 0.920 CB 1.715 26 residues pruned to eliminate duplicates Z: 25 73.736 2.432 1.511 0.954 1.000 0.833 CB 1.695 26 residues pruned to eliminate duplicates Z: 15 38.819 2.320 0.808 0.930 1.000 1.000 CB 1.730 15 residues pruned to eliminate duplicates Z: 27 55.452 2.326 1.099 0.862 0.962 0.923 CB 1.700 27 residues pruned to eliminate duplicates Z: 14 16.019 1.920 0.346 0.933 1.000 0.846 CB 1.199 Z: 18 35.400 2.289 0.810 0.908 1.000 0.882 CB 1.472 18 residues pruned to eliminate duplicates Z: 27 59.781 2.371 1.415 0.893 0.962 0.769 CB 1.528 27 residues pruned to eliminate duplicates Z: 11 24.422 2.153 0.599 0.910 1.000 0.900 C 1.590 11 residues pruned to eliminate duplicates Z: 17 42.191 2.198 0.977 0.923 1.000 0.875 CB 1.706 16 residues pruned to eliminate duplicates Z: 15 47.868 2.395 1.422 0.926 0.929 0.786 CB 1.666 15 residues pruned to eliminate duplicates Z: 27 61.609 2.373 1.491 0.918 1.000 0.808 CB 1.441 27 residues pruned to eliminate duplicates Z: 17 34.599 2.276 0.850 0.910 1.000 0.812 CB 1.458 17 residues pruned to eliminate duplicates Z: 13 20.638 1.975 0.542 0.907 1.000 0.750 CB 1.391 Z: 18 34.485 2.254 0.836 0.880 0.941 0.647 CB 1.556 18 residues pruned to eliminate duplicates Z: 17 44.541 2.145 1.397 0.892 0.938 0.812 CB 1.659 17 residues pruned to eliminate duplicates Z: 17 45.399 2.329 1.307 0.912 1.000 0.875 CB 1.496 17 residues pruned to eliminate duplicates Z: 17 44.674 2.360 0.993 0.926 1.000 1.000 CB 1.665 17 residues pruned to eliminate duplicates Z: 28 60.465 2.290 1.270 0.883 0.963 0.778 CB 1.680 27 residues pruned to eliminate duplicates Z: 19 39.977 2.283 0.996 0.947 1.000 0.889 CB 1.429 18 residues pruned to eliminate duplicates Z: 9 13.945 2.096 0.591 0.727 0.750 0.375 C 1.607 9 residues pruned to eliminate duplicates Z: 17 39.447 2.327 0.773 0.936 1.000 1.000 CB 1.664 17 residues pruned to eliminate duplicates Z: 17 46.684 2.305 1.154 0.932 1.000 0.938 CB 1.642 17 residues pruned to eliminate duplicates Z: 18 36.240 2.257 0.837 0.876 1.000 0.882 CB 1.540 18 residues pruned to eliminate duplicates Z: 17 41.483 2.217 0.932 0.903 1.000 1.000 CB 1.727 17 residues pruned to eliminate duplicates Z: 26 55.516 2.395 0.973 0.914 0.960 0.880 CB 1.732 26 residues pruned to eliminate duplicates Z: 43 40.722 2.226 0.798 0.582 0.929 0.571 CB 1.562 27 residues pruned to eliminate duplicates Z: 17 39.931 2.210 0.919 0.931 1.000 1.000 CB 1.645 17 residues pruned to eliminate duplicates Z: 16 34.690 2.247 0.788 0.922 1.000 0.867 CB 1.567 16 residues pruned to eliminate duplicates Z: 74 71.131 2.310 0.991 0.747 0.932 0.781 CB 1.558 61 residues pruned to eliminate duplicates Z: 18 44.683 2.277 1.001 0.896 0.941 0.824 CB 1.810 18 residues pruned to eliminate duplicates Z: 17 39.898 2.217 0.929 0.925 1.000 1.000 CB 1.637 17 residues pruned to eliminate duplicates Z: 25 67.717 2.413 1.276 0.939 1.000 0.958 CB 1.749 25 residues pruned to eliminate duplicates Z: 17 41.380 2.342 1.074 0.930 1.000 0.875 CB 1.489 17 residues pruned to eliminate duplicates Z: 18 37.459 2.283 0.704 0.933 1.000 0.882 CB 1.631 18 residues pruned to eliminate duplicates Z: 19 48.077 2.222 1.103 0.918 1.000 0.833 CB 1.711 17 residues pruned to eliminate duplicates Z: 14 14.487 1.956 0.143 0.949 1.000 0.923 CB 1.240 14 residues pruned to eliminate duplicates Z: 26 59.164 2.346 1.284 0.909 1.000 0.800 CB 1.568 27 residues pruned to eliminate duplicates Z: 7 8.186 1.813 0.251 0.844 1.000 0.500 CA 1.096 7 residues pruned to eliminate duplicates Z: 15 15.450 1.891 0.382 0.907 0.929 0.857 CB 1.209 14 residues pruned to eliminate duplicates Z: 18 38.682 2.261 0.671 0.938 1.000 0.882 CB 1.727 18 residues pruned to eliminate duplicates Z: 18 50.523 2.275 1.440 0.934 1.000 0.824 CB 1.539 18 residues pruned to eliminate duplicates Z: 7 11.554 1.874 0.326 0.748 1.000 0.833 CA 1.521 Z: 13 15.856 1.937 0.291 0.932 1.000 0.833 CB 1.278 13 residues pruned to eliminate duplicates Z: 38 34.510 2.190 0.790 0.540 0.919 0.676 CB 1.515 38 residues pruned to eliminate duplicates Z: 16 48.469 2.322 1.218 0.954 1.000 0.933 CB 1.670 16 residues pruned to eliminate duplicates Z: 15 31.496 2.182 0.795 0.925 1.000 0.714 CB 1.509 15 residues pruned to eliminate duplicates Z: 7 7.509 1.666 0.113 0.730 1.000 0.833 CA 1.344 7 residues pruned to eliminate duplicates Z: 18 37.645 2.257 1.006 0.937 1.000 0.824 CB 1.404 18 residues pruned to eliminate duplicates Z: 18 39.711 2.315 0.885 0.889 0.941 0.824 CB 1.688 18 residues pruned to eliminate duplicates Z: 13 26.207 2.201 0.538 0.866 0.917 0.917 CB 1.786 13 residues pruned to eliminate duplicates Z: 19 29.629 2.185 0.837 0.826 0.944 0.833 CB 1.390 19 residues pruned to eliminate duplicates Z: 18 39.873 2.278 0.882 0.943 0.941 0.941 CB 1.660 18 residues pruned to eliminate duplicates Z: 6 15.571 1.991 0.505 0.872 1.000 1.000 CA 1.694 6 residues pruned to eliminate duplicates Z: 18 44.761 2.276 1.132 0.923 0.941 0.882 CB 1.670 18 residues pruned to eliminate duplicates Z: 18 34.358 2.295 0.879 0.914 0.941 0.882 CB 1.452 18 residues pruned to eliminate duplicates Z: 26 62.929 2.314 1.553 0.953 0.960 0.600 CB 1.527 26 residues pruned to eliminate duplicates Z: 18 36.952 2.280 0.701 0.948 1.000 1.000 CB 1.596 18 residues pruned to eliminate duplicates Z: 15 23.766 2.119 0.569 0.909 0.929 0.857 CB 1.459 15 residues pruned to eliminate duplicates Z: 7 7.924 1.946 0.349 0.747 0.667 0.500 C 1.482 7 residues pruned to eliminate duplicates Z: 6 11.539 2.204 0.228 0.891 1.000 1.000 CB 1.370 6 residues pruned to eliminate duplicates Z: 58 42.990 2.097 0.707 0.652 0.930 0.719 CB 1.486 43 residues pruned to eliminate duplicates Z: 13 21.963 2.014 0.462 0.927 1.000 0.833 CB 1.509 13 residues pruned to eliminate duplicates Z: 18 44.683 2.204 1.441 0.899 0.941 0.706 CB 1.529 18 residues pruned to eliminate duplicates Z: 18 36.174 2.374 0.958 0.923 0.941 0.941 CB 1.410 18 residues pruned to eliminate duplicates Z: 8 12.108 1.646 0.442 0.900 1.000 0.857 CA 1.377 8 residues pruned to eliminate duplicates Z: 12 25.217 2.202 0.682 0.913 1.000 0.909 CB 1.453 12 residues pruned to eliminate duplicates Z: 10 18.950 2.023 0.380 0.926 1.000 0.889 CB 1.588 10 residues pruned to eliminate duplicates Z: 12 26.554 2.210 0.750 0.880 1.000 0.727 CB 1.500 12 residues pruned to eliminate duplicates Z: 18 40.320 2.309 0.976 0.881 0.941 0.882 CB 1.649 18 residues pruned to eliminate duplicates Z: 16 36.576 2.192 0.933 0.898 1.000 0.800 CB 1.595 16 residues pruned to eliminate duplicates Z: 26 64.969 2.444 1.443 0.939 0.960 0.840 CB 1.576 26 residues pruned to eliminate duplicates Z: 11 22.376 2.083 0.482 0.935 1.000 0.700 CB 1.597 12 residues pruned to eliminate duplicates Z: 18 48.980 2.293 1.135 0.946 1.000 0.941 CB 1.678 18 residues pruned to eliminate duplicates Z: 18 39.120 2.398 0.913 0.931 1.000 0.941 CB 1.445 17 residues pruned to eliminate duplicates Z: 43 40.243 2.196 0.718 0.595 0.952 0.619 CB 1.579 43 residues pruned to eliminate duplicates Z: 15 20.366 1.944 0.498 0.926 1.000 0.786 CB 1.311 15 residues pruned to eliminate duplicates Z: 10 17.332 2.098 0.434 0.861 0.889 0.778 CA 1.588 10 residues pruned to eliminate duplicates Z: 17 31.191 2.281 0.915 0.896 0.938 0.875 CB 1.364 17 residues pruned to eliminate duplicates Z: 17 36.216 2.189 0.903 0.891 1.000 0.875 CB 1.563 17 residues pruned to eliminate duplicates Z: 16 20.787 1.827 0.679 0.931 1.000 0.733 CB 1.222 16 residues pruned to eliminate duplicates Z: 18 41.164 2.280 0.779 0.932 1.000 0.882 CB 1.718 18 residues pruned to eliminate duplicates Z: 12 14.852 1.912 0.352 0.827 0.909 0.727 C 1.436 12 residues pruned to eliminate duplicates Z: 15 34.923 2.115 1.135 0.914 1.000 0.786 CB 1.462 15 residues pruned to eliminate duplicates Z: 18 39.843 2.164 1.239 0.818 1.000 0.588 CB 1.513 18 residues pruned to eliminate duplicates Z: 15 27.614 2.169 0.578 0.929 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 10 16.727 2.064 0.141 0.924 1.000 1.000 CA 1.663 10 residues pruned to eliminate duplicates Z: 12 17.566 1.964 0.390 0.893 1.000 0.727 CB 1.393 Z: 16 33.325 2.074 0.909 0.884 1.000 0.800 CB 1.570 16 residues pruned to eliminate duplicates Z: 75 69.346 2.270 0.967 0.705 0.973 0.703 CB 1.540 62 residues pruned to eliminate duplicates Z: 42 34.567 2.063 0.669 0.614 0.976 0.634 CB 1.443 42 residues pruned to eliminate duplicates Z: 26 67.625 2.312 1.483 0.933 1.000 0.920 CB 1.644 26 residues pruned to eliminate duplicates Z: 11 16.095 1.920 0.630 0.823 0.900 0.500 C 1.366 11 residues pruned to eliminate duplicates Z: 13 24.565 2.027 0.735 0.915 1.000 0.833 CB 1.425 13 residues pruned to eliminate duplicates Z: 98 71.805 2.169 0.959 0.690 0.948 0.639 CB 1.520 139 residues pruned to eliminate duplicates Z: 12 27.606 2.200 0.767 0.887 1.000 0.909 CB 1.544 12 residues pruned to eliminate duplicates Z: 17 42.761 2.342 0.876 0.939 1.000 0.938 CB 1.691 17 residues pruned to eliminate duplicates Z: 26 53.110 2.444 1.022 0.942 0.960 0.960 CB 1.553 Z: 11 23.231 2.214 0.520 0.907 1.000 0.700 CB 1.552 11 residues pruned to eliminate duplicates Z: 34 30.917 2.001 0.841 0.583 0.970 0.667 CB 1.392 34 residues pruned to eliminate duplicates Z: 11 20.617 2.141 0.507 0.890 1.000 0.700 CB 1.454 Z: 18 36.025 2.224 0.830 0.883 1.000 0.824 CB 1.553 17 residues pruned to eliminate duplicates Z: 17 37.736 2.222 0.876 0.907 1.000 0.750 CA 1.609 17 residues pruned to eliminate duplicates Z: 11 24.620 2.277 0.533 0.887 1.000 0.800 CB 1.609 11 residues pruned to eliminate duplicates Z: 17 49.684 2.344 1.233 0.923 1.000 0.750 CB 1.668 17 residues pruned to eliminate duplicates Z: 12 21.566 2.137 0.541 0.872 1.000 0.818 CB 1.439 12 residues pruned to eliminate duplicates Z: 13 29.978 2.034 0.895 0.936 1.000 0.917 CB 1.563 13 residues pruned to eliminate duplicates Z: 145 103.408 2.270 1.092 0.722 0.944 0.694 CB 1.573 144 residues pruned to eliminate duplicates Z: 42 42.226 2.227 0.689 0.599 0.951 0.585 CB 1.678 42 residues pruned to eliminate duplicates Z: 6 10.113 1.931 0.582 0.699 1.000 0.400 CB 1.235 6 residues pruned to eliminate duplicates Z: 30 21.675 1.938 0.537 0.600 0.966 0.655 CB 1.273 30 residues pruned to eliminate duplicates Z: 18 40.245 2.288 1.067 0.886 1.000 0.882 CB 1.489 18 residues pruned to eliminate duplicates Z: 14 31.548 2.187 0.830 0.951 1.000 1.000 CB 1.506 14 residues pruned to eliminate duplicates Z: 58 45.139 2.122 0.756 0.663 0.912 0.649 CB 1.512 58 residues pruned to eliminate duplicates Z: 14 13.278 1.915 0.105 0.936 1.000 0.846 CB 1.212 14 residues pruned to eliminate duplicates Z: 141 108.484 2.321 1.032 0.759 0.964 0.757 CB 1.601 134 residues pruned to eliminate duplicates Z: 18 39.869 2.294 0.936 0.913 1.000 0.941 CB 1.541 18 residues pruned to eliminate duplicates Z: 17 28.484 1.971 0.761 0.868 1.000 0.812 CB 1.500 17 residues pruned to eliminate duplicates Z: 18 27.882 2.149 0.856 0.904 0.941 0.765 CB 1.283 18 residues pruned to eliminate duplicates Z: 142 96.683 2.287 0.881 0.745 0.972 0.759 CB 1.565 142 residues pruned to eliminate duplicates Z: 25 74.600 2.439 1.548 0.930 1.000 0.875 CB 1.713 35 residues pruned to eliminate duplicates Z: 19 30.537 2.228 0.704 0.824 0.944 0.833 CB 1.515 19 residues pruned to eliminate duplicates Z: 16 34.964 2.403 0.696 0.929 1.000 1.000 CB 1.550 16 residues pruned to eliminate duplicates Z: 12 14.201 1.968 0.532 0.789 0.818 0.636 CB 1.346 12 residues pruned to eliminate duplicates Z: 94 82.864 2.258 0.986 0.739 0.968 0.667 CB 1.598 86 residues pruned to eliminate duplicates Z: 26 59.181 2.397 1.415 0.924 0.960 0.680 CB 1.496 26 residues pruned to eliminate duplicates Z: 17 47.851 2.328 1.287 0.913 1.000 0.875 CB 1.590 17 residues pruned to eliminate duplicates Z: 15 19.096 1.919 0.478 0.934 1.000 0.714 CB 1.255 15 residues pruned to eliminate duplicates Z: 10 16.146 2.112 0.457 0.885 1.000 0.889 CB 1.263 10 residues pruned to eliminate duplicates Z: 26 50.318 2.385 0.956 0.933 0.960 0.920 CB 1.568 26 residues pruned to eliminate duplicates Z: 26 22.717 1.943 0.499 0.751 0.960 0.760 CB 1.299 26 residues pruned to eliminate duplicates Z: 27 53.673 2.359 1.080 0.874 0.962 0.923 CB 1.624 27 residues pruned to eliminate duplicates Z: 90 75.742 2.291 0.856 0.708 0.966 0.708 CB 1.618 90 residues pruned to eliminate duplicates Z: 25 69.153 2.417 1.482 0.929 1.000 0.833 CB 1.647 25 residues pruned to eliminate duplicates Z: 10 23.064 2.248 0.378 0.915 1.000 0.889 CB 1.754 10 residues pruned to eliminate duplicates Z: 12 22.112 2.164 0.646 0.875 1.000 0.727 CB 1.361 12 residues pruned to eliminate duplicates Z: 18 49.598 2.271 1.131 0.945 1.000 1.000 CB 1.720 18 residues pruned to eliminate duplicates Z: 12 19.813 2.076 0.439 0.880 1.000 0.636 CB 1.449 12 residues pruned to eliminate duplicates Z: 18 34.978 2.246 1.029 0.926 1.000 0.882 CB 1.306 18 residues pruned to eliminate duplicates Z: 27 48.038 2.274 1.291 0.665 0.962 0.615 CB 1.614 27 residues pruned to eliminate duplicates Z: 18 36.361 2.287 0.942 0.897 0.941 0.882 CB 1.510 18 residues pruned to eliminate duplicates Z: 16 32.405 2.275 0.668 0.915 1.000 0.800 CB 1.558 16 residues pruned to eliminate duplicates Z: 15 30.522 2.160 0.777 0.946 1.000 0.929 CB 1.470 15 residues pruned to eliminate duplicates Z: 11 19.497 2.115 0.465 0.866 1.000 0.700 CB 1.457 11 residues pruned to eliminate duplicates Z: 11 21.684 2.017 0.469 0.897 1.000 0.900 C 1.657 11 residues pruned to eliminate duplicates Z: 12 21.349 2.146 0.414 0.915 1.000 0.818 CB 1.500 12 residues pruned to eliminate duplicates Z: 11 19.676 1.990 0.625 0.863 1.000 0.700 C 1.412 11 residues pruned to eliminate duplicates Z: 29 36.596 2.182 1.212 0.623 0.929 0.500 CB 1.374 29 residues pruned to eliminate duplicates Z: 11 18.492 2.066 0.399 0.835 0.900 0.700 C 1.684 11 residues pruned to eliminate duplicates Z: 10 26.465 2.186 0.748 0.936 1.000 0.889 CB 1.607 10 residues pruned to eliminate duplicates Z: 16 33.199 2.356 1.114 0.909 0.933 0.800 CB 1.309 16 residues pruned to eliminate duplicates Z: 31 31.636 2.085 0.791 0.607 0.933 0.633 CB 1.498 31 residues pruned to eliminate duplicates Z: 137 96.697 2.272 1.010 0.680 0.971 0.721 CB 1.586 136 residues pruned to eliminate duplicates Z: 8 13.962 1.782 0.571 0.779 1.000 0.714 CB 1.474 Z: 18 33.767 2.263 0.750 0.903 0.941 0.882 CB 1.566 18 residues pruned to eliminate duplicates Z: 17 38.953 2.248 0.841 0.936 1.000 1.000 CA 1.639 17 residues pruned to eliminate duplicates Z: 26 70.213 2.363 1.629 0.935 0.960 0.760 CB 1.641 26 residues pruned to eliminate duplicates Z: 30 19.620 1.960 0.661 0.505 0.862 0.621 CB 1.292 30 residues pruned to eliminate duplicates Z: 6 10.491 1.813 0.324 0.804 1.000 1.000 CA 1.499 6 residues pruned to eliminate duplicates Z: 34 36.628 2.177 0.824 0.599 0.970 0.727 CB 1.507 34 residues pruned to eliminate duplicates Z: 17 41.039 2.309 0.975 0.915 1.000 0.812 CB 1.589 17 residues pruned to eliminate duplicates Z: 11 16.710 2.126 0.322 0.911 1.000 0.800 CB 1.333 11 residues pruned to eliminate duplicates Z: 17 41.431 2.229 1.042 0.936 1.000 0.875 CB 1.584 17 residues pruned to eliminate duplicates Z: 8 4.968 1.826 0.294 0.374 0.857 0.714 CA 1.060 8 residues pruned to eliminate duplicates Z: 17 36.705 2.194 0.852 0.901 1.000 0.875 CA 1.611 17 residues pruned to eliminate duplicates Z: 18 48.634 2.271 1.243 0.933 1.000 0.882 CB 1.616 18 residues pruned to eliminate duplicates Z: 12 20.419 1.866 0.668 0.771 1.000 0.545 C 1.556 12 residues pruned to eliminate duplicates Z: 43 54.297 2.219 1.210 0.669 0.905 0.738 CB 1.615 43 residues pruned to eliminate duplicates Z: 18 49.603 2.281 1.197 0.936 1.000 0.941 CB 1.672 18 residues pruned to eliminate duplicates Z: 17 37.644 2.212 0.813 0.934 1.000 1.000 CB 1.637 17 residues pruned to eliminate duplicates Z: 12 13.984 1.943 0.363 0.866 0.909 0.818 CB 1.282 12 residues pruned to eliminate duplicates Z: 17 35.407 2.212 0.717 0.913 1.000 1.000 CB 1.650 17 residues pruned to eliminate duplicates Z: 17 42.067 2.162 1.184 0.911 1.000 0.688 CB 1.579 17 residues pruned to eliminate duplicates Z: 12 19.644 1.932 0.447 0.889 1.000 0.818 CA 1.525 12 residues pruned to eliminate duplicates Z: 10 19.640 2.168 0.389 0.882 1.000 0.778 CB 1.573 10 residues pruned to eliminate duplicates Z: 7 16.047 1.908 0.482 0.894 1.000 0.833 CB 1.662 7 residues pruned to eliminate duplicates Z: 16 52.907 2.305 1.306 0.938 1.000 0.933 CA 1.787 16 residues pruned to eliminate duplicates Z: 30 33.742 2.090 0.856 0.622 0.966 0.690 CB 1.491 30 residues pruned to eliminate duplicates Z: 10 26.725 2.134 0.937 0.916 1.000 0.778 CB 1.522 10 residues pruned to eliminate duplicates Z: 18 36.192 2.269 0.862 0.938 1.000 0.941 CB 1.445 18 residues pruned to eliminate duplicates Z: 13 14.587 1.873 0.322 0.941 1.000 1.000 CB 1.181 13 residues pruned to eliminate duplicates Z: 18 42.679 2.270 1.163 0.934 1.000 1.000 CB 1.470 18 residues pruned to eliminate duplicates Z: 59 55.010 2.230 0.831 0.660 0.931 0.655 CB 1.639 59 residues pruned to eliminate duplicates Z: 17 30.716 2.296 0.664 0.914 1.000 1.000 CB 1.422 17 residues pruned to eliminate duplicates Z: 15 28.293 2.127 0.658 0.921 1.000 0.786 CB 1.509 15 residues pruned to eliminate duplicates Z: 144 99.291 2.298 0.929 0.744 0.958 0.748 CB 1.572 144 residues pruned to eliminate duplicates Z: 6 5.075 1.871 0.043 0.773 0.800 0.800 CB 1.142 6 residues pruned to eliminate duplicates Z: 13 34.910 2.381 0.902 0.716 1.000 0.833 CA 1.830 13 residues pruned to eliminate duplicates Z: 6 7.435 1.699 0.195 0.879 1.000 1.000 CA 1.188 6 residues pruned to eliminate duplicates Z: 16 35.921 2.180 0.976 0.877 0.933 0.933 CB 1.676 16 residues pruned to eliminate duplicates Z: 17 40.419 2.235 0.899 0.930 1.000 0.875 CB 1.665 17 residues pruned to eliminate duplicates Z: 11 7.005 1.534 0.511 0.781 0.800 0.500 CB 0.933 11 residues pruned to eliminate duplicates Z: 12 18.113 2.022 0.584 0.831 1.000 0.545 CB 1.281 12 residues pruned to eliminate duplicates Z: 18 45.689 2.272 1.400 0.928 1.000 0.882 CB 1.423 18 residues pruned to eliminate duplicates Z: 57 49.231 2.140 0.772 0.679 0.964 0.696 CB 1.526 57 residues pruned to eliminate duplicates Z: 14 20.289 1.957 0.569 0.948 1.000 0.769 CB 1.266 14 residues pruned to eliminate duplicates Z: 17 39.728 2.202 0.875 0.897 1.000 0.750 CB 1.722 17 residues pruned to eliminate duplicates Z: 17 37.378 2.201 0.755 0.930 1.000 1.000 CA 1.691 17 residues pruned to eliminate duplicates Z: 84 75.302 2.214 1.098 0.693 0.952 0.711 CB 1.567 84 residues pruned to eliminate duplicates Z: 43 46.624 2.236 0.833 0.658 0.929 0.643 CB 1.633 43 residues pruned to eliminate duplicates Z: 14 23.405 1.968 0.787 0.952 1.000 0.846 CB 1.272 14 residues pruned to eliminate duplicates Z: 16 46.548 2.328 1.495 0.945 1.000 0.667 CB 1.432 16 residues pruned to eliminate duplicates Z: 9 5.350 1.873 0.450 0.419 0.625 0.625 CB 1.212 9 residues pruned to eliminate duplicates Z: 17 43.484 2.404 1.017 0.923 1.000 1.000 CB 1.575 17 residues pruned to eliminate duplicates Z: 18 38.759 2.072 0.989 0.907 1.000 0.706 CB 1.622 18 residues pruned to eliminate duplicates Z: 26 64.268 2.413 1.235 0.932 1.000 0.920 CB 1.665 26 residues pruned to eliminate duplicates Z: 17 34.284 2.339 0.517 0.941 1.000 1.000 CB 1.676 17 residues pruned to eliminate duplicates Z: 10 17.427 1.939 0.771 0.737 0.889 0.778 C 1.539 10 residues pruned to eliminate duplicates Z: 11 18.537 2.103 0.448 0.882 1.000 0.700 CB 1.393 11 residues pruned to eliminate duplicates Z: 18 31.042 2.165 0.800 0.841 1.000 0.765 CB 1.441 18 residues pruned to eliminate duplicates Z: 73 72.021 2.287 0.921 0.754 0.972 0.750 CB 1.584 73 residues pruned to eliminate duplicates Z: 15 33.335 2.233 0.872 0.926 1.000 1.000 CB 1.495 15 residues pruned to eliminate duplicates Z: 10 13.006 1.802 0.335 0.837 1.000 0.667 CB 1.347 10 residues pruned to eliminate duplicates Z: 16 41.258 2.161 1.260 0.908 0.933 0.467 CB 1.659 16 residues pruned to eliminate duplicates Z: 10 19.042 2.123 0.546 0.884 1.000 0.778 CB 1.397 10 residues pruned to eliminate duplicates Z: 17 45.031 2.244 1.087 0.920 1.000 0.875 CB 1.693 17 residues pruned to eliminate duplicates Z: 15 28.249 2.101 0.834 0.900 1.000 0.571 CB 1.400 15 residues pruned to eliminate duplicates Z: 14 17.108 1.921 0.589 0.937 0.923 0.769 CB 1.171 14 residues pruned to eliminate duplicates Z: 7 8.197 1.681 0.487 0.760 1.000 0.500 C 1.062 7 residues pruned to eliminate duplicates Z: 16 22.959 1.933 0.690 0.845 0.933 0.800 CB 1.445 16 residues pruned to eliminate duplicates Z: 10 9.766 2.015 0.421 0.441 0.889 0.556 CA 1.359 10 residues pruned to eliminate duplicates Z: 15 40.871 2.389 0.965 0.943 1.000 1.000 CB 1.612 15 residues pruned to eliminate duplicates Z: 37 44.288 2.252 0.779 0.710 0.944 0.778 CB 1.612 37 residues pruned to eliminate duplicates Z: 14 22.263 1.966 0.722 0.944 1.000 0.846 CB 1.262 14 residues pruned to eliminate duplicates Z: 12 18.476 1.922 0.414 0.893 0.909 0.818 CA 1.619 12 residues pruned to eliminate duplicates Z: 11 19.817 2.073 0.350 0.893 1.000 0.800 C 1.608 11 residues pruned to eliminate duplicates Z: 6 9.851 1.835 0.238 0.806 1.000 0.600 C 1.484 6 residues pruned to eliminate duplicates Z: 39 56.713 2.318 0.852 0.780 1.000 0.842 CB 1.675 36 residues pruned to eliminate duplicates Z: 18 38.024 2.239 0.984 0.867 1.000 0.882 CB 1.519 18 residues pruned to eliminate duplicates Z: 58 46.311 2.083 0.747 0.689 0.930 0.614 CB 1.524 58 residues pruned to eliminate duplicates Z: 134 96.803 2.260 0.965 0.703 0.985 0.782 CB 1.595 134 residues pruned to eliminate duplicates Z: 17 35.974 2.190 0.737 0.912 1.000 0.938 CB 1.675 17 residues pruned to eliminate duplicates Z: 53 49.591 2.174 0.854 0.665 0.962 0.577 CB 1.524 53 residues pruned to eliminate duplicates Z: 22 28.168 2.111 0.891 0.646 0.905 0.667 CB 1.485 22 residues pruned to eliminate duplicates Z: 14 18.824 1.776 0.527 0.754 1.000 0.538 C 1.535 14 residues pruned to eliminate duplicates Z: 17 39.018 2.323 0.700 0.938 1.000 1.000 CB 1.717 17 residues pruned to eliminate duplicates Z: 15 16.179 1.831 0.391 0.910 1.000 1.000 CB 1.204 15 residues pruned to eliminate duplicates Z: 15 21.460 1.867 0.815 0.941 1.000 0.643 CB 1.175 15 residues pruned to eliminate duplicates Z: 9 11.657 2.027 0.429 0.543 0.875 0.625 CB 1.560 9 residues pruned to eliminate duplicates Z: 42 34.211 2.052 0.617 0.618 1.000 0.634 CB 1.440 42 residues pruned to eliminate duplicates Z: 107 90.014 2.291 1.038 0.735 0.972 0.755 CB 1.560 107 residues pruned to eliminate duplicates Z: 7 13.226 1.985 0.481 0.867 1.000 0.833 CB 1.343 7 residues pruned to eliminate duplicates Z: 38 37.590 2.197 0.759 0.565 0.973 0.595 CB 1.543 38 residues pruned to eliminate duplicates Z: 10 21.031 2.065 0.548 0.890 1.000 0.889 CB 1.577 10 residues pruned to eliminate duplicates Z: 7 8.666 1.653 0.639 0.687 1.000 0.500 CB 1.100 7 residues pruned to eliminate duplicates Z: 12 28.445 2.098 0.913 0.885 1.000 0.818 CA 1.543 12 residues pruned to eliminate duplicates Z: 6 3.059 1.489 0.155 0.537 1.000 0.600 CA 0.767 Z: 12 30.651 2.021 1.366 0.815 0.909 0.909 C 1.616 12 residues pruned to eliminate duplicates Z: 12 13.029 1.902 0.217 0.709 1.000 0.818 C 1.404 12 residues pruned to eliminate duplicates Z: 26 53.131 2.383 0.939 0.925 1.000 0.960 CB 1.614 26 residues pruned to eliminate duplicates Z: 18 35.592 2.165 1.060 0.940 1.000 0.647 CB 1.344 18 residues pruned to eliminate duplicates Z: 78 77.082 2.279 1.000 0.723 0.987 0.636 CB 1.597 78 residues pruned to eliminate duplicates Z: 37 39.617 2.161 0.823 0.570 0.972 0.583 CB 1.611 37 residues pruned to eliminate duplicates Z: 14 26.465 2.077 0.573 0.938 1.000 1.000 CB 1.562 14 residues pruned to eliminate duplicates Z: 15 21.661 2.023 0.486 0.896 1.000 0.786 CB 1.379 15 residues pruned to eliminate duplicates Z: 28 46.939 2.250 0.898 0.909 1.000 0.926 CB 1.501 28 residues pruned to eliminate duplicates Z: 94 83.757 2.287 1.005 0.723 0.989 0.753 CB 1.565 94 residues pruned to eliminate duplicates Z: 18 47.054 2.249 1.325 0.938 1.000 0.765 CB 1.518 18 residues pruned to eliminate duplicates Z: 40 49.145 2.281 0.837 0.723 0.949 0.769 CB 1.619 40 residues pruned to eliminate duplicates Z: 11 12.144 1.987 0.628 0.396 0.900 0.600 CA 1.472 11 residues pruned to eliminate duplicates Z: 19 16.013 2.069 0.400 0.467 0.833 0.444 CB 1.616 19 residues pruned to eliminate duplicates Z: 53 47.052 2.137 0.864 0.690 0.942 0.769 CB 1.461 53 residues pruned to eliminate duplicates Z: 117 87.089 2.312 0.942 0.733 0.940 0.741 CB 1.554 117 residues pruned to eliminate duplicates Z: 17 42.944 2.312 0.921 0.920 1.000 0.938 CB 1.703 17 residues pruned to eliminate duplicates Z: 48 55.541 2.210 1.211 0.703 0.894 0.766 CB 1.543 48 residues pruned to eliminate duplicates Z: 40 51.406 2.276 1.051 0.702 0.949 0.795 CB 1.546 40 residues pruned to eliminate duplicates Z: 6 4.004 1.773 0.107 0.799 0.800 0.600 CB 0.878 6 residues pruned to eliminate duplicates Z: 92 76.445 2.175 1.097 0.713 0.956 0.747 CB 1.515 92 residues pruned to eliminate duplicates Z: 14 24.854 2.226 0.985 0.486 0.923 0.462 CA 1.714 14 residues pruned to eliminate duplicates Z: 13 12.576 1.902 0.379 0.794 0.833 0.583 CB 1.284 13 residues pruned to eliminate duplicates Z: 27 56.021 2.319 1.253 0.906 1.000 0.885 CB 1.495 27 residues pruned to eliminate duplicates Z: 15 40.130 2.172 1.296 0.907 1.000 0.786 CB 1.529 15 residues pruned to eliminate duplicates Z: 15 18.813 1.951 0.632 0.715 0.929 0.786 CB 1.401 15 residues pruned to eliminate duplicates Z: 27 44.186 2.317 0.879 0.899 0.962 0.885 CB 1.479 27 residues pruned to eliminate duplicates Z: 18 31.091 2.290 0.692 0.814 0.882 0.824 CB 1.678 18 residues pruned to eliminate duplicates Z: 20 15.936 1.926 0.776 0.338 0.947 0.684 CB 1.346 20 residues pruned to eliminate duplicates Z: 14 29.569 2.155 0.866 0.926 1.000 0.769 CB 1.431 14 residues pruned to eliminate duplicates Z: 16 33.333 2.190 0.754 0.906 1.000 0.933 CB 1.594 16 residues pruned to eliminate duplicates Z: 66 51.851 2.124 0.932 0.672 0.954 0.785 CB 1.403 66 residues pruned to eliminate duplicates Z: 11 15.693 2.015 0.460 0.865 0.900 0.900 CB 1.373 11 residues pruned to eliminate duplicates Z: 11 19.981 1.986 0.453 0.880 1.000 0.700 C 1.586 11 residues pruned to eliminate duplicates Z: 126 88.708 2.272 0.887 0.725 0.960 0.776 CB 1.574 126 residues pruned to eliminate duplicates Z: 11 21.460 2.269 0.540 0.836 0.900 0.700 CB 1.615 11 residues pruned to eliminate duplicates Z: 11 19.419 2.099 0.561 0.896 1.000 0.700 CB 1.343 11 residues pruned to eliminate duplicates Z: 12 16.494 1.910 0.321 0.797 1.000 0.909 CA 1.519 12 residues pruned to eliminate duplicates Z: 17 43.704 2.283 1.107 0.945 0.938 0.875 CB 1.676 17 residues pruned to eliminate duplicates Z: 11 22.065 2.093 0.557 0.917 1.000 0.700 C 1.511 11 residues pruned to eliminate duplicates Z: 62 62.724 2.286 0.906 0.712 0.951 0.820 CB 1.599 62 residues pruned to eliminate duplicates Z: 18 35.373 2.143 0.905 0.892 1.000 0.706 CB 1.510 18 residues pruned to eliminate duplicates Z: 14 26.839 2.062 0.736 0.880 1.000 0.846 CB 1.507 14 residues pruned to eliminate duplicates Z: 15 21.327 1.861 0.926 0.935 0.929 0.786 CB 1.194 15 residues pruned to eliminate duplicates Z: 10 18.991 2.134 0.874 0.582 1.000 0.889 CB 1.462 10 residues pruned to eliminate duplicates Z: 16 36.110 2.194 0.782 0.912 1.000 0.867 CB 1.689 16 residues pruned to eliminate duplicates Z: 108 77.164 2.229 0.792 0.743 0.981 0.766 CB 1.530 108 residues pruned to eliminate duplicates Z: 7 2.279 1.455 0.571 0.370 1.000 0.500 CB 0.468 Z: 24 58.088 2.366 1.338 0.807 1.000 0.783 CB 1.676 24 residues pruned to eliminate duplicates Z: 16 44.372 2.415 1.286 0.889 0.933 0.867 CB 1.600 16 residues pruned to eliminate duplicates Z: 33 50.078 2.328 0.855 0.798 0.969 0.812 CB 1.630 33 residues pruned to eliminate duplicates Z: 44 28.902 2.024 0.702 0.520 0.907 0.512 CB 1.383 44 residues pruned to eliminate duplicates Z: 103 87.431 2.290 0.966 0.736 0.980 0.725 CB 1.587 103 residues pruned to eliminate duplicates Z: 6 9.875 1.798 0.462 0.758 1.000 0.800 CB 1.335 6 residues pruned to eliminate duplicates Z: 8 32.985 2.401 1.209 0.776 1.000 1.000 CA 1.842 8 residues pruned to eliminate duplicates Z: 82 85.056 2.295 1.063 0.744 0.988 0.815 CB 1.624 82 residues pruned to eliminate duplicates Z: 35 50.371 2.295 0.972 0.752 0.941 0.824 CB 1.620 35 residues pruned to eliminate duplicates Z: 7 5.758 1.544 0.298 0.784 0.833 0.667 CA 1.096 7 residues pruned to eliminate duplicates Z: 12 17.789 2.138 0.321 0.884 1.000 0.727 CB 1.371 12 residues pruned to eliminate duplicates Z: 7 17.807 1.887 0.647 0.906 1.000 0.833 CB 1.665 7 residues pruned to eliminate duplicates Z: 78 70.100 2.281 0.872 0.730 0.948 0.766 CB 1.604 78 residues pruned to eliminate duplicates Z: 45 45.705 2.210 0.734 0.712 0.955 0.636 CB 1.554 45 residues pruned to eliminate duplicates Z: 14 14.522 1.860 0.129 0.929 1.000 0.923 CB 1.343 14 residues pruned to eliminate duplicates Z: 6 15.023 1.940 0.542 0.878 1.000 0.800 CA 1.630 6 residues pruned to eliminate duplicates Z: 51 50.225 2.219 0.818 0.646 0.940 0.600 CB 1.635 51 residues pruned to eliminate duplicates Z: 18 16.644 2.018 0.849 0.404 1.000 0.588 CB 1.197 18 residues pruned to eliminate duplicates Z: 17 36.279 2.232 0.788 0.911 1.000 0.938 CB 1.610 17 residues pruned to eliminate duplicates Z: 43 40.284 2.184 0.809 0.659 0.929 0.643 CB 1.461 43 residues pruned to eliminate duplicates Z: 59 57.665 2.218 0.897 0.672 0.966 0.655 CB 1.590 59 residues pruned to eliminate duplicates Z: 11 17.138 1.895 0.632 0.701 1.000 0.400 C 1.460 11 residues pruned to eliminate duplicates Z: 6 3.407 1.318 0.310 0.313 1.000 0.200 O 1.085 Z: 18 14.350 1.821 0.866 0.394 0.941 0.647 CB 1.217 18 residues pruned to eliminate duplicates Z: 84 77.291 2.244 1.016 0.726 0.952 0.723 CB 1.607 84 residues pruned to eliminate duplicates 368 residues left after pruning, divided into chains as follows: A: 184 B: 184 CC for partial structure against native data = 42.10 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.507, Connect. = 0.812 for dens.mod. cycle 1 = 0.300, Contrast = 0.567, Connect. = 0.825 for dens.mod. cycle 2 = 0.300, Contrast = 0.694, Connect. = 0.848 for dens.mod. cycle 3 = 0.300, Contrast = 0.703, Connect. = 0.850 for dens.mod. cycle 4 = 0.300, Contrast = 0.715, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.720, Connect. = 0.853 for dens.mod. cycle 6 = 0.300, Contrast = 0.726, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.729, Connect. = 0.854 for dens.mod. cycle 8 = 0.300, Contrast = 0.733, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.735, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2554 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 598 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 25 54.502 2.367 0.983 0.886 0.917 0.875 CB 1.865 B: 27 65.745 2.431 1.074 0.913 0.962 0.769 CB 1.882 25 residues pruned to eliminate duplicates C: 18 52.907 2.483 1.074 0.941 0.941 0.941 CB 1.837 D: 27 65.537 2.472 1.010 0.931 1.000 0.923 CB 1.807 18 residues pruned to eliminate duplicates E: 17 38.703 2.416 0.630 0.936 1.000 1.000 CB 1.711 F: 19 41.240 2.350 0.672 0.924 1.000 0.833 CB 1.738 17 residues pruned to eliminate duplicates G: 27 74.047 2.425 1.323 0.905 0.962 0.769 CB 1.908 27 residues pruned to eliminate duplicates H: 18 38.100 2.438 0.596 0.928 1.000 0.941 CB 1.663 I: 26 83.250 2.561 1.239 0.933 1.000 0.840 CB 2.027 27 residues pruned to eliminate duplicates J: 13 23.277 2.346 0.316 0.896 0.917 0.833 CB 1.702 13 residues pruned to eliminate duplicates K: 27 61.883 2.466 1.056 0.886 0.962 0.654 CB 1.795 27 residues pruned to eliminate duplicates L: 27 66.743 2.426 1.025 0.907 1.000 0.846 CB 1.895 27 residues pruned to eliminate duplicates M: 26 85.073 2.536 1.338 0.930 1.000 0.960 CB 2.006 26 residues pruned to eliminate duplicates N: 17 45.208 2.411 0.804 0.934 0.938 0.938 CA 1.933 O: 18 49.652 2.380 1.028 0.919 1.000 0.882 CB 1.759 P: 18 41.251 2.381 0.880 0.901 0.882 0.824 CB 1.809 18 residues pruned to eliminate duplicates Q: 18 42.794 2.376 1.017 0.921 1.000 0.941 CB 1.524 18 residues pruned to eliminate duplicates R: 19 54.726 2.417 0.929 0.928 1.000 0.944 CB 1.937 19 residues pruned to eliminate duplicates S: 18 44.023 2.376 0.696 0.925 1.000 0.882 CB 1.860 18 residues pruned to eliminate duplicates T: 17 40.367 2.453 0.748 0.899 1.000 0.875 CB 1.682 17 residues pruned to eliminate duplicates U: 18 39.112 2.369 0.695 0.881 1.000 0.765 CB 1.710 18 residues pruned to eliminate duplicates V: 17 41.925 2.374 0.680 0.911 1.000 1.000 CA 1.863 W: 19 41.878 2.293 0.536 0.923 1.000 0.889 CB 1.970 X: 26 45.403 2.324 0.802 0.895 0.880 0.760 CB 1.766 26 residues pruned to eliminate duplicates Y: 16 29.954 2.209 0.708 0.855 0.933 0.800 CB 1.621 Z: 18 50.014 2.402 0.790 0.935 1.000 0.941 CA 1.966 17 residues pruned to eliminate duplicates Z: 15 30.567 2.360 0.367 0.926 1.000 0.929 CB 1.776 16 residues pruned to eliminate duplicates Z: 19 64.092 2.416 1.426 0.943 0.944 0.833 CB 1.891 19 residues pruned to eliminate duplicates Z: 18 43.435 2.359 1.095 0.899 1.000 0.824 CB 1.524 18 residues pruned to eliminate duplicates Z: 26 85.538 2.537 1.367 0.932 1.000 0.880 CB 1.989 26 residues pruned to eliminate duplicates Z: 13 26.525 2.262 0.539 0.882 0.917 0.833 CB 1.736 13 residues pruned to eliminate duplicates Z: 18 46.408 2.385 0.921 0.885 0.941 0.824 CB 1.884 19 residues pruned to eliminate duplicates Z: 16 41.877 2.512 0.586 0.932 1.000 0.933 CB 1.895 16 residues pruned to eliminate duplicates Z: 18 37.557 2.431 0.527 0.935 0.941 0.882 CA 1.817 18 residues pruned to eliminate duplicates Z: 17 49.321 2.445 0.833 0.902 1.000 0.938 CA 1.963 17 residues pruned to eliminate duplicates Z: 21 44.286 2.373 0.681 0.822 0.950 0.800 CB 1.976 18 residues pruned to eliminate duplicates Z: 27 71.841 2.431 1.205 0.922 0.962 0.885 CB 1.923 27 residues pruned to eliminate duplicates Z: 17 30.688 2.281 0.544 0.911 1.000 1.000 CB 1.544 Z: 16 42.526 2.383 0.760 0.899 1.000 0.867 CA 1.871 16 residues pruned to eliminate duplicates Z: 19 43.145 2.349 0.684 0.954 1.000 0.833 CB 1.769 19 residues pruned to eliminate duplicates Z: 19 45.441 2.419 0.918 0.913 0.944 0.778 CB 1.729 19 residues pruned to eliminate duplicates Z: 27 47.271 2.221 0.988 0.847 0.962 0.885 CB 1.622 27 residues pruned to eliminate duplicates Z: 18 44.986 2.378 0.690 0.932 1.000 0.882 CB 1.895 18 residues pruned to eliminate duplicates Z: 27 59.072 2.389 0.827 0.945 0.962 0.962 CB 1.911 27 residues pruned to eliminate duplicates Z: 16 36.758 2.337 0.550 0.873 0.933 0.800 C 2.045 16 residues pruned to eliminate duplicates Z: 26 89.378 2.545 1.425 0.934 1.000 0.880 CB 2.019 26 residues pruned to eliminate duplicates Z: 27 67.456 2.490 1.285 0.911 0.962 0.731 CB 1.713 27 residues pruned to eliminate duplicates Z: 10 20.314 2.357 0.363 0.768 0.889 0.556 CA 1.871 Z: 18 49.150 2.384 1.027 0.920 1.000 0.882 CB 1.737 18 residues pruned to eliminate duplicates Z: 14 29.889 2.326 0.439 0.924 1.000 0.846 CB 1.739 14 residues pruned to eliminate duplicates Z: 26 76.394 2.558 1.039 0.936 1.000 1.000 CB 2.041 26 residues pruned to eliminate duplicates Z: 19 45.173 2.374 0.686 0.925 1.000 0.833 CA 1.867 19 residues pruned to eliminate duplicates Z: 12 20.197 2.046 0.427 0.841 0.909 0.545 C 1.710 Z: 17 40.838 2.314 0.868 0.917 0.938 0.875 CB 1.778 Z: 27 56.753 2.483 0.971 0.909 0.923 0.885 CB 1.749 27 residues pruned to eliminate duplicates Z: 27 77.645 2.444 1.395 0.886 0.962 0.577 CB 1.952 27 residues pruned to eliminate duplicates Z: 19 38.207 2.268 0.551 0.899 1.000 0.889 CA 1.830 19 residues pruned to eliminate duplicates Z: 10 28.073 2.406 0.733 0.917 0.889 0.889 CB 1.781 10 residues pruned to eliminate duplicates Z: 18 42.236 2.359 0.750 0.887 0.941 0.882 CA 1.900 18 residues pruned to eliminate duplicates Z: 18 37.874 2.359 0.659 0.904 1.000 0.882 CB 1.672 18 residues pruned to eliminate duplicates Z: 27 69.171 2.436 1.054 0.906 1.000 0.923 CB 1.928 27 residues pruned to eliminate duplicates Z: 18 48.199 2.379 0.923 0.913 1.000 0.882 CB 1.808 18 residues pruned to eliminate duplicates Z: 16 42.346 2.503 0.672 0.902 1.000 0.800 CB 1.863 16 residues pruned to eliminate duplicates Z: 18 56.237 2.347 1.135 0.917 1.000 0.765 CA 1.922 17 residues pruned to eliminate duplicates Z: 17 48.525 2.409 1.109 0.908 1.000 0.875 CB 1.696 17 residues pruned to eliminate duplicates Z: 27 55.670 2.463 0.893 0.898 0.962 0.885 CB 1.742 27 residues pruned to eliminate duplicates Z: 8 20.835 2.335 0.578 0.736 1.000 0.571 CA 1.729 8 residues pruned to eliminate duplicates Z: 15 37.856 2.356 0.739 0.942 1.000 0.929 CB 1.712 15 residues pruned to eliminate duplicates Z: 19 43.621 2.213 0.910 0.934 1.000 0.778 CA 1.696 19 residues pruned to eliminate duplicates Z: 16 44.387 2.422 0.727 0.937 1.000 0.933 CB 1.907 15 residues pruned to eliminate duplicates Z: 16 33.798 2.380 0.512 0.930 1.000 1.000 CB 1.696 17 residues pruned to eliminate duplicates Z: 17 40.894 2.310 0.725 0.886 1.000 0.875 CA 1.852 17 residues pruned to eliminate duplicates Z: 18 46.046 2.387 0.791 0.896 1.000 0.882 CB 1.871 18 residues pruned to eliminate duplicates Z: 16 32.248 2.405 0.429 0.918 1.000 1.000 CB 1.707 16 residues pruned to eliminate duplicates Z: 17 39.394 2.308 0.669 0.920 1.000 0.938 CB 1.801 17 residues pruned to eliminate duplicates Z: 18 44.549 2.363 0.822 0.873 1.000 0.765 CB 1.827 18 residues pruned to eliminate duplicates Z: 27 54.234 2.455 0.754 0.923 0.962 0.923 CB 1.805 27 residues pruned to eliminate duplicates Z: 17 39.186 2.446 0.571 0.905 1.000 0.875 CB 1.814 17 residues pruned to eliminate duplicates Z: 27 54.034 2.469 0.813 0.894 0.923 0.846 CB 1.840 27 residues pruned to eliminate duplicates Z: 18 45.093 2.331 0.922 0.872 1.000 0.882 CB 1.779 18 residues pruned to eliminate duplicates Z: 18 34.574 2.352 0.592 0.871 1.000 0.882 CB 1.634 18 residues pruned to eliminate duplicates Z: 17 35.651 2.290 0.575 0.886 1.000 0.938 CA 1.784 17 residues pruned to eliminate duplicates Z: 18 38.763 2.377 0.774 0.884 0.941 0.824 CB 1.711 18 residues pruned to eliminate duplicates Z: 18 37.208 2.390 0.701 0.934 1.000 1.000 CB 1.548 18 residues pruned to eliminate duplicates Z: 18 46.082 2.418 0.688 0.933 1.000 0.941 CB 1.910 18 residues pruned to eliminate duplicates Z: 13 21.827 2.143 0.547 0.857 0.917 0.667 CB 1.528 Z: 10 13.864 2.205 0.288 0.767 0.778 0.667 C 1.651 Z: 26 60.440 2.498 0.774 0.941 1.000 0.840 CB 1.893 26 residues pruned to eliminate duplicates Z: 18 46.051 2.395 0.889 0.887 1.000 0.882 CB 1.780 18 residues pruned to eliminate duplicates Z: 18 34.008 2.337 0.828 0.871 0.882 0.882 CB 1.596 18 residues pruned to eliminate duplicates Z: 26 68.158 2.401 1.278 0.927 0.960 0.760 CB 1.820 26 residues pruned to eliminate duplicates Z: 27 59.632 2.446 0.916 0.892 0.962 0.923 CB 1.865 27 residues pruned to eliminate duplicates Z: 27 51.779 2.453 0.642 0.941 0.962 0.923 CB 1.819 27 residues pruned to eliminate duplicates Z: 18 43.907 2.386 0.672 0.929 1.000 0.882 CB 1.868 18 residues pruned to eliminate duplicates Z: 17 36.210 2.333 0.483 0.924 1.000 0.938 CB 1.838 17 residues pruned to eliminate duplicates Z: 17 49.758 2.454 1.156 0.896 1.000 0.812 CB 1.685 17 residues pruned to eliminate duplicates Z: 27 62.215 2.434 1.032 0.886 1.000 0.923 CB 1.780 27 residues pruned to eliminate duplicates Z: 14 28.817 2.179 0.673 0.861 0.923 0.846 CB 1.745 14 residues pruned to eliminate duplicates Z: 27 59.391 2.456 0.972 0.895 0.962 0.885 CB 1.793 27 residues pruned to eliminate duplicates Z: 18 48.461 2.303 1.056 0.898 1.000 0.941 CA 1.776 18 residues pruned to eliminate duplicates Z: 18 38.477 2.333 0.709 0.906 0.941 0.882 CA 1.769 18 residues pruned to eliminate duplicates Z: 18 37.322 2.382 0.720 0.879 0.941 0.941 CB 1.702 18 residues pruned to eliminate duplicates Z: 8 9.361 1.561 0.478 0.787 1.000 0.571 CA 1.191 8 residues pruned to eliminate duplicates Z: 17 34.803 2.328 0.451 0.895 1.000 0.750 C 1.847 17 residues pruned to eliminate duplicates Z: 18 47.783 2.496 0.874 0.943 0.941 0.941 CB 1.825 18 residues pruned to eliminate duplicates Z: 18 52.938 2.297 1.112 0.925 1.000 0.882 CB 1.858 18 residues pruned to eliminate duplicates Z: 15 33.091 2.325 0.557 0.919 1.000 0.714 CB 1.721 15 residues pruned to eliminate duplicates Z: 11 20.867 2.075 0.330 0.926 1.000 0.800 CB 1.676 11 residues pruned to eliminate duplicates Z: 18 54.514 2.361 1.099 0.917 1.000 0.882 CA 1.883 18 residues pruned to eliminate duplicates Z: 26 83.867 2.531 1.409 0.916 0.960 0.720 CB 2.024 26 residues pruned to eliminate duplicates Z: 17 33.857 2.328 0.487 0.910 1.000 0.938 CB 1.734 17 residues pruned to eliminate duplicates Z: 19 47.668 2.433 0.736 0.914 1.000 0.889 CB 1.881 19 residues pruned to eliminate duplicates Z: 17 49.574 2.509 0.772 0.954 1.000 0.938 CB 1.918 17 residues pruned to eliminate duplicates Z: 15 32.467 2.381 0.561 0.877 1.000 0.857 CB 1.695 15 residues pruned to eliminate duplicates Z: 17 49.891 2.425 0.853 0.934 1.000 0.938 CB 1.936 17 residues pruned to eliminate duplicates Z: 17 51.474 2.440 0.909 0.936 1.000 0.938 CB 1.923 18 residues pruned to eliminate duplicates Z: 18 44.495 2.380 0.700 0.939 1.000 1.000 CB 1.854 18 residues pruned to eliminate duplicates Z: 17 35.487 2.278 0.504 0.940 1.000 1.000 CA 1.798 17 residues pruned to eliminate duplicates Z: 19 40.325 2.295 0.570 0.927 1.000 0.833 CB 1.848 19 residues pruned to eliminate duplicates Z: 26 83.886 2.520 1.324 0.935 1.000 0.840 CB 1.997 26 residues pruned to eliminate duplicates Z: 27 66.032 2.487 1.217 0.897 0.923 0.808 CB 1.821 27 residues pruned to eliminate duplicates Z: 17 32.585 2.331 0.510 0.905 1.000 0.812 CB 1.647 16 residues pruned to eliminate duplicates Z: 18 39.514 2.412 0.747 0.891 0.882 0.824 CB 1.854 18 residues pruned to eliminate duplicates Z: 17 39.861 2.488 0.723 0.894 0.875 0.875 CB 1.906 17 residues pruned to eliminate duplicates Z: 19 43.562 2.393 0.680 0.911 1.000 0.889 CB 1.809 19 residues pruned to eliminate duplicates Z: 19 48.630 2.382 0.848 0.918 1.000 0.889 CB 1.836 19 residues pruned to eliminate duplicates Z: 18 37.956 2.395 0.409 0.930 1.000 0.941 CB 1.909 18 residues pruned to eliminate duplicates Z: 14 29.219 2.293 0.586 0.888 0.923 0.923 CB 1.740 14 residues pruned to eliminate duplicates Z: 27 71.553 2.422 1.342 0.892 0.923 0.615 CB 1.926 27 residues pruned to eliminate duplicates Z: 17 39.894 2.324 0.600 0.916 1.000 1.000 CA 1.894 17 residues pruned to eliminate duplicates Z: 16 29.615 2.350 0.326 0.918 1.000 0.933 CB 1.730 16 residues pruned to eliminate duplicates Z: 19 51.792 2.409 0.896 0.893 1.000 0.722 CB 1.919 19 residues pruned to eliminate duplicates Z: 16 38.999 2.393 0.602 0.932 1.000 0.933 CB 1.834 17 residues pruned to eliminate duplicates Z: 27 71.788 2.454 1.403 0.882 0.962 0.846 CB 1.796 27 residues pruned to eliminate duplicates Z: 25 80.723 2.571 1.300 0.938 1.000 0.833 CB 1.938 27 residues pruned to eliminate duplicates Z: 12 19.970 2.065 0.535 0.891 0.818 0.636 C 1.668 13 residues pruned to eliminate duplicates Z: 18 36.591 2.348 0.589 0.899 1.000 1.000 CB 1.701 18 residues pruned to eliminate duplicates Z: 18 34.824 2.422 0.499 0.867 0.941 0.882 CB 1.809 18 residues pruned to eliminate duplicates Z: 12 23.494 2.107 0.406 0.883 1.000 0.909 C 1.729 12 residues pruned to eliminate duplicates Z: 17 37.868 2.412 0.803 0.923 0.938 0.812 CB 1.632 17 residues pruned to eliminate duplicates Z: 18 40.470 2.392 0.711 0.896 1.000 0.882 CB 1.718 18 residues pruned to eliminate duplicates Z: 18 43.916 2.389 0.584 0.916 1.000 0.882 CB 1.989 18 residues pruned to eliminate duplicates Z: 10 16.594 2.379 0.138 0.737 1.000 0.444 CA 1.652 10 residues pruned to eliminate duplicates Z: 18 41.719 2.328 0.655 0.940 1.000 0.824 CA 1.824 18 residues pruned to eliminate duplicates Z: 17 43.295 2.424 0.693 0.893 1.000 0.875 CA 1.893 17 residues pruned to eliminate duplicates Z: 12 25.059 2.109 0.471 0.896 1.000 0.727 C 1.743 12 residues pruned to eliminate duplicates Z: 27 73.257 2.443 1.467 0.913 0.962 0.731 CB 1.755 27 residues pruned to eliminate duplicates Z: 21 39.967 2.400 0.512 0.813 0.950 0.800 CB 1.973 21 residues pruned to eliminate duplicates Z: 18 43.770 2.240 0.884 0.928 1.000 0.765 CA 1.762 18 residues pruned to eliminate duplicates Z: 11 21.549 2.220 0.415 0.889 1.000 0.800 C 1.562 Z: 20 29.009 2.150 0.781 0.891 0.947 0.842 CB 1.319 20 residues pruned to eliminate duplicates Z: 27 66.532 2.453 1.183 0.931 0.962 0.769 CB 1.771 27 residues pruned to eliminate duplicates Z: 12 17.520 2.059 0.355 0.878 1.000 0.818 C 1.373 12 residues pruned to eliminate duplicates Z: 6 8.112 2.005 0.388 0.616 0.800 0.800 CA 1.460 Z: 18 45.321 2.359 0.751 0.937 1.000 0.941 CB 1.852 18 residues pruned to eliminate duplicates Z: 27 69.378 2.459 1.344 0.908 0.923 0.808 CB 1.817 27 residues pruned to eliminate duplicates Z: 27 74.298 2.416 1.359 0.933 0.923 0.692 CB 1.932 27 residues pruned to eliminate duplicates Z: 17 41.713 2.355 0.718 0.902 1.000 0.812 CA 1.838 17 residues pruned to eliminate duplicates Z: 17 41.544 2.397 0.688 0.904 1.000 0.875 CB 1.828 17 residues pruned to eliminate duplicates Z: 26 64.069 2.530 0.762 0.932 1.000 1.000 CB 2.008 26 residues pruned to eliminate duplicates Z: 27 54.969 2.456 0.846 0.928 0.962 0.923 CB 1.731 27 residues pruned to eliminate duplicates Z: 11 23.424 2.169 0.517 0.858 1.000 0.800 C 1.657 11 residues pruned to eliminate duplicates Z: 16 36.677 2.411 0.523 0.939 1.000 1.000 CB 1.793 16 residues pruned to eliminate duplicates Z: 18 42.371 2.354 0.823 0.895 1.000 0.941 CB 1.717 18 residues pruned to eliminate duplicates Z: 18 49.154 2.449 0.737 0.960 1.000 1.000 CB 1.919 18 residues pruned to eliminate duplicates Z: 11 25.722 2.246 0.392 0.915 1.000 0.600 CB 1.838 10 residues pruned to eliminate duplicates Z: 16 44.356 2.363 0.899 0.923 1.000 0.933 CB 1.793 16 residues pruned to eliminate duplicates Z: 18 35.689 2.264 0.598 0.902 0.941 0.882 CB 1.814 18 residues pruned to eliminate duplicates Z: 12 20.338 2.080 0.423 0.819 1.000 0.545 C 1.571 12 residues pruned to eliminate duplicates Z: 27 77.142 2.460 1.366 0.886 0.962 0.731 CB 1.951 27 residues pruned to eliminate duplicates Z: 21 46.767 2.453 0.617 0.836 1.000 0.850 CA 1.973 21 residues pruned to eliminate duplicates Z: 10 22.967 2.326 0.425 0.775 1.000 0.556 C 1.812 10 residues pruned to eliminate duplicates Z: 27 77.948 2.419 1.309 0.927 1.000 0.885 CB 1.918 27 residues pruned to eliminate duplicates Z: 11 22.762 2.089 0.688 0.804 0.900 0.400 CB 1.739 10 residues pruned to eliminate duplicates Z: 12 20.503 2.300 0.238 0.838 1.000 0.727 CB 1.623 12 residues pruned to eliminate duplicates Z: 27 74.719 2.442 1.292 0.928 0.962 0.846 CB 1.907 27 residues pruned to eliminate duplicates Z: 18 41.118 2.359 0.813 0.909 1.000 0.882 CB 1.655 18 residues pruned to eliminate duplicates Z: 27 74.938 2.408 1.259 0.927 1.000 0.962 CB 1.892 27 residues pruned to eliminate duplicates Z: 10 24.121 2.370 0.231 0.899 1.000 0.889 CA 1.969 11 residues pruned to eliminate duplicates Z: 11 18.980 2.033 0.417 0.904 1.000 1.000 CA 1.484 11 residues pruned to eliminate duplicates Z: 8 10.842 2.014 0.197 0.798 0.857 0.714 CA 1.529 Z: 17 47.846 2.464 0.781 0.935 1.000 1.000 CB 1.899 17 residues pruned to eliminate duplicates Z: 18 42.466 2.303 0.658 0.922 1.000 1.000 CB 1.896 18 residues pruned to eliminate duplicates Z: 15 17.567 2.017 0.130 0.899 1.000 0.786 CB 1.472 Z: 18 46.757 2.364 1.154 0.884 0.882 0.765 CA 1.823 18 residues pruned to eliminate duplicates Z: 144 118.138 2.439 0.865 0.753 0.972 0.769 CB 1.783 146 residues pruned to eliminate duplicates Z: 14 18.347 2.099 0.117 0.925 1.000 0.846 CB 1.524 14 residues pruned to eliminate duplicates Z: 18 37.902 2.320 0.768 0.895 0.941 0.882 CB 1.708 18 residues pruned to eliminate duplicates Z: 7 7.718 1.750 0.260 0.777 1.000 0.667 CA 1.118 5 residues pruned to eliminate duplicates Z: 13 24.095 2.142 0.508 0.910 1.000 0.750 CB 1.527 14 residues pruned to eliminate duplicates Z: 14 20.409 2.083 0.254 0.929 1.000 0.846 CB 1.516 15 residues pruned to eliminate duplicates Z: 11 26.114 2.280 0.375 0.912 1.000 0.800 CB 1.866 12 residues pruned to eliminate duplicates Z: 17 35.588 2.305 0.498 0.896 1.000 0.875 CB 1.845 17 residues pruned to eliminate duplicates Z: 18 40.526 2.385 0.784 0.867 1.000 0.765 CB 1.690 18 residues pruned to eliminate duplicates Z: 27 79.932 2.440 1.406 0.934 0.962 0.846 CB 1.936 27 residues pruned to eliminate duplicates Z: 18 44.186 2.319 0.940 0.928 0.941 0.882 CB 1.772 18 residues pruned to eliminate duplicates Z: 14 18.342 2.097 0.171 0.930 1.000 0.846 CB 1.449 14 residues pruned to eliminate duplicates Z: 16 46.965 2.376 0.945 0.952 1.000 0.933 CB 1.807 16 residues pruned to eliminate duplicates Z: 14 29.405 2.288 0.476 0.932 1.000 1.000 CB 1.685 14 residues pruned to eliminate duplicates Z: 18 42.210 2.359 0.686 0.946 1.000 0.824 CB 1.780 18 residues pruned to eliminate duplicates Z: 27 57.959 2.381 0.933 0.914 0.962 0.885 CB 1.816 27 residues pruned to eliminate duplicates Z: 10 21.088 2.377 0.113 0.895 1.000 0.889 C 1.905 10 residues pruned to eliminate duplicates Z: 27 76.440 2.445 1.242 0.915 1.000 0.885 CB 1.932 27 residues pruned to eliminate duplicates Z: 18 43.554 2.324 0.780 0.949 1.000 1.000 CB 1.762 18 residues pruned to eliminate duplicates Z: 6 10.831 2.010 0.106 0.826 1.000 0.600 CA 1.643 Z: 16 39.745 2.371 0.654 0.892 1.000 0.867 CB 1.879 16 residues pruned to eliminate duplicates Z: 12 22.106 2.293 0.309 0.877 1.000 0.727 CB 1.612 12 residues pruned to eliminate duplicates Z: 19 41.360 2.244 0.750 0.929 1.000 0.833 CB 1.737 19 residues pruned to eliminate duplicates Z: 7 8.765 1.831 0.589 0.709 0.833 0.667 N 1.221 7 residues pruned to eliminate duplicates Z: 18 31.535 2.369 0.464 0.902 1.000 0.882 CB 1.573 18 residues pruned to eliminate duplicates Z: 18 51.928 2.315 1.071 0.928 1.000 0.882 CA 1.840 19 residues pruned to eliminate duplicates Z: 27 85.783 2.443 1.459 0.938 1.000 0.885 CB 1.948 27 residues pruned to eliminate duplicates Z: 27 69.748 2.447 1.311 0.918 0.962 0.769 CB 1.774 27 residues pruned to eliminate duplicates Z: 6 11.503 2.041 0.093 0.807 1.000 0.800 CA 1.763 6 residues pruned to eliminate duplicates Z: 11 31.828 2.438 0.637 0.901 1.000 0.800 CB 1.801 11 residues pruned to eliminate duplicates Z: 11 21.572 2.228 0.646 0.714 0.900 0.300 CA 1.702 10 residues pruned to eliminate duplicates Z: 14 22.621 2.110 0.460 0.930 0.923 0.769 CB 1.542 14 residues pruned to eliminate duplicates Z: 18 48.435 2.387 0.800 0.940 1.000 1.000 CB 1.898 23 residues pruned to eliminate duplicates Z: 12 27.608 2.344 0.523 0.871 1.000 0.727 CB 1.701 12 residues pruned to eliminate duplicates Z: 144 117.503 2.400 0.880 0.747 0.979 0.755 CB 1.784 114 residues pruned to eliminate duplicates Z: 18 46.442 2.350 1.053 0.948 1.000 0.941 CB 1.613 18 residues pruned to eliminate duplicates Z: 12 18.412 2.039 0.348 0.853 1.000 0.455 C 1.493 12 residues pruned to eliminate duplicates Z: 185 122.510 2.443 0.737 0.702 0.962 0.723 CB 1.841 170 residues pruned to eliminate duplicates Z: 12 26.126 2.325 0.502 0.874 1.000 0.909 CB 1.642 12 residues pruned to eliminate duplicates Z: 183 116.173 2.350 0.808 0.715 0.951 0.615 CB 1.755 166 residues pruned to eliminate duplicates Z: 18 51.604 2.375 0.852 0.951 1.000 1.000 CB 1.961 18 residues pruned to eliminate duplicates Z: 10 18.395 2.192 0.187 0.908 1.000 0.889 CA 1.673 10 residues pruned to eliminate duplicates Z: 10 15.990 1.957 0.429 0.826 1.000 0.889 C 1.438 10 residues pruned to eliminate duplicates Z: 16 37.828 2.410 0.580 0.918 1.000 1.000 CB 1.810 16 residues pruned to eliminate duplicates Z: 18 29.817 2.340 0.599 0.902 0.941 0.824 CB 1.465 18 residues pruned to eliminate duplicates Z: 18 52.069 2.420 1.057 0.904 1.000 0.882 CB 1.807 18 residues pruned to eliminate duplicates Z: 12 24.041 2.072 0.533 0.911 1.000 0.727 C 1.618 12 residues pruned to eliminate duplicates Z: 11 17.272 2.012 0.152 0.919 1.000 1.000 CA 1.660 11 residues pruned to eliminate duplicates Z: 14 42.814 2.379 0.957 0.935 1.000 0.846 CB 1.777 14 residues pruned to eliminate duplicates Z: 16 57.925 2.453 1.207 0.951 1.000 0.733 CB 1.905 16 residues pruned to eliminate duplicates Z: 15 39.910 2.350 0.757 0.940 1.000 0.786 CB 1.794 15 residues pruned to eliminate duplicates Z: 12 24.104 2.055 0.492 0.908 1.000 0.818 C 1.683 12 residues pruned to eliminate duplicates Z: 12 12.144 2.011 0.161 0.690 0.818 0.636 CB 1.611 11 residues pruned to eliminate duplicates Z: 19 46.288 2.242 1.225 0.915 1.000 0.722 CB 1.546 19 residues pruned to eliminate duplicates Z: 17 35.703 2.305 0.526 0.910 1.000 0.750 CA 1.799 17 residues pruned to eliminate duplicates Z: 19 31.391 2.183 0.438 0.909 1.000 0.833 CA 1.672 19 residues pruned to eliminate duplicates Z: 17 39.702 2.472 0.639 0.886 1.000 0.938 CB 1.768 17 residues pruned to eliminate duplicates Z: 28 52.644 2.395 0.968 0.853 0.963 0.889 CB 1.651 28 residues pruned to eliminate duplicates Z: 17 41.230 2.459 0.844 0.885 0.875 0.875 CB 1.875 17 residues pruned to eliminate duplicates Z: 13 23.500 2.125 0.597 0.866 0.917 0.750 CB 1.596 13 residues pruned to eliminate duplicates Z: 10 16.938 2.188 0.276 0.821 0.889 0.556 CA 1.722 10 residues pruned to eliminate duplicates Z: 15 35.089 2.346 0.715 0.946 0.929 0.929 CB 1.736 15 residues pruned to eliminate duplicates Z: 22 46.006 2.374 0.667 0.838 1.000 0.810 CA 1.896 22 residues pruned to eliminate duplicates Z: 18 42.957 2.344 0.887 0.905 0.941 0.882 CA 1.782 18 residues pruned to eliminate duplicates Z: 10 29.076 2.319 0.639 0.926 1.000 0.667 C 1.788 10 residues pruned to eliminate duplicates Z: 17 39.939 2.416 0.818 0.906 1.000 0.938 CB 1.616 17 residues pruned to eliminate duplicates Z: 58 53.841 2.407 0.552 0.651 0.912 0.719 CB 1.820 58 residues pruned to eliminate duplicates Z: 155 119.182 2.419 0.815 0.739 0.974 0.773 CB 1.813 156 residues pruned to eliminate duplicates Z: 10 20.691 2.310 0.410 0.871 0.889 0.889 CB 1.737 10 residues pruned to eliminate duplicates Z: 10 14.735 2.269 -0.078 0.813 1.000 0.667 C 1.787 10 residues pruned to eliminate duplicates Z: 16 20.377 1.959 0.282 0.899 1.000 0.800 CB 1.498 16 residues pruned to eliminate duplicates Z: 14 20.343 2.077 0.311 0.929 1.000 0.923 CB 1.449 14 residues pruned to eliminate duplicates Z: 9 12.587 2.255 0.583 0.359 1.000 0.500 CB 1.452 9 residues pruned to eliminate duplicates Z: 8 10.361 1.730 0.277 0.811 1.000 0.857 CA 1.352 8 residues pruned to eliminate duplicates Z: 26 50.906 2.223 0.959 0.900 0.960 0.640 CB 1.739 26 residues pruned to eliminate duplicates Z: 17 43.508 2.403 0.722 0.945 1.000 0.938 CB 1.820 17 residues pruned to eliminate duplicates Z: 15 35.998 2.304 0.714 0.929 1.000 0.929 CB 1.705 15 residues pruned to eliminate duplicates Z: 11 15.598 2.103 0.267 0.766 0.900 0.600 C 1.625 11 residues pruned to eliminate duplicates Z: 17 47.047 2.357 1.010 0.929 1.000 0.875 CB 1.738 17 residues pruned to eliminate duplicates Z: 11 16.268 2.205 0.629 0.724 0.700 0.300 C 1.672 11 residues pruned to eliminate duplicates Z: 13 25.193 2.137 0.502 0.889 1.000 0.917 CB 1.631 13 residues pruned to eliminate duplicates Z: 11 27.033 2.447 0.455 0.880 1.000 0.600 CB 1.739 11 residues pruned to eliminate duplicates Z: 16 37.909 2.320 0.779 0.923 1.000 0.933 CB 1.667 16 residues pruned to eliminate duplicates Z: 18 47.911 2.363 0.919 0.931 0.941 0.882 CA 1.904 18 residues pruned to eliminate duplicates Z: 16 43.915 2.371 0.811 0.931 1.000 1.000 CB 1.845 16 residues pruned to eliminate duplicates Z: 18 41.663 2.384 0.592 0.937 1.000 0.941 CB 1.852 18 residues pruned to eliminate duplicates Z: 17 34.335 2.288 0.498 0.942 1.000 1.000 CB 1.737 17 residues pruned to eliminate duplicates Z: 15 40.977 2.363 0.918 0.950 1.000 0.857 CB 1.666 15 residues pruned to eliminate duplicates Z: 13 28.076 2.163 0.695 0.884 1.000 0.917 CB 1.597 13 residues pruned to eliminate duplicates Z: 19 61.189 2.391 1.176 0.919 1.000 0.833 CB 1.953 19 residues pruned to eliminate duplicates Z: 27 68.500 2.437 1.369 0.927 0.923 0.808 CB 1.766 27 residues pruned to eliminate duplicates Z: 17 39.284 2.365 0.675 0.895 1.000 0.938 CA 1.777 17 residues pruned to eliminate duplicates Z: 128 112.671 2.413 0.922 0.745 0.953 0.787 CB 1.819 117 residues pruned to eliminate duplicates Z: 12 17.728 1.982 0.472 0.866 0.818 0.818 CA 1.640 12 residues pruned to eliminate duplicates Z: 19 43.984 2.241 0.813 0.918 1.000 0.833 CA 1.799 19 residues pruned to eliminate duplicates Z: 12 24.429 2.272 0.437 0.917 1.000 1.000 CB 1.592 12 residues pruned to eliminate duplicates Z: 12 23.722 2.297 0.398 0.873 1.000 0.727 CB 1.623 12 residues pruned to eliminate duplicates Z: 7 5.330 1.891 0.345 0.444 0.667 0.500 CA 1.360 7 residues pruned to eliminate duplicates Z: 12 17.606 2.038 0.494 0.694 1.000 0.545 CA 1.460 12 residues pruned to eliminate duplicates Z: 16 17.720 1.885 0.327 0.886 0.933 0.867 CB 1.414 16 residues pruned to eliminate duplicates Z: 16 16.380 1.882 0.136 0.863 1.000 0.667 CB 1.451 16 residues pruned to eliminate duplicates Z: 11 17.009 2.182 0.274 0.902 1.000 0.900 CB 1.380 11 residues pruned to eliminate duplicates Z: 18 37.868 2.278 0.830 0.890 0.941 0.647 CB 1.684 18 residues pruned to eliminate duplicates Z: 17 36.775 2.333 0.619 0.935 1.000 0.938 CB 1.697 17 residues pruned to eliminate duplicates Z: 14 22.744 2.061 0.563 0.929 0.923 0.846 CB 1.484 14 residues pruned to eliminate duplicates Z: 17 33.014 2.270 0.617 0.917 1.000 0.938 CB 1.587 17 residues pruned to eliminate duplicates Z: 15 22.171 2.024 0.365 0.899 1.000 0.786 CB 1.533 15 residues pruned to eliminate duplicates Z: 29 45.399 2.318 0.826 0.663 1.000 0.607 CB 1.744 30 residues pruned to eliminate duplicates Z: 18 44.755 2.355 0.990 0.900 1.000 0.765 CB 1.655 18 residues pruned to eliminate duplicates Z: 27 57.961 2.398 0.901 0.890 0.962 0.846 CB 1.866 27 residues pruned to eliminate duplicates Z: 14 16.338 2.076 0.086 0.939 1.000 0.846 CB 1.397 14 residues pruned to eliminate duplicates Z: 18 38.896 2.441 0.483 0.872 1.000 0.882 CB 1.900 18 residues pruned to eliminate duplicates Z: 17 27.978 2.271 0.521 0.873 0.938 0.938 CB 1.573 17 residues pruned to eliminate duplicates Z: 7 7.820 1.814 0.006 0.749 1.000 0.833 C 1.400 7 residues pruned to eliminate duplicates Z: 6 4.682 1.923 -0.106 0.500 1.000 0.800 CB 1.219 6 residues pruned to eliminate duplicates Z: 13 27.183 2.102 0.713 0.838 1.000 0.750 CB 1.629 13 residues pruned to eliminate duplicates Z: 12 15.902 2.084 0.100 0.854 0.909 0.818 CA 1.698 12 residues pruned to eliminate duplicates Z: 27 80.207 2.393 1.501 0.931 0.962 0.731 CB 1.911 27 residues pruned to eliminate duplicates Z: 59 59.809 2.377 0.711 0.640 0.914 0.621 CB 1.854 58 residues pruned to eliminate duplicates Z: 11 31.076 2.454 0.613 0.871 1.000 0.900 CB 1.811 11 residues pruned to eliminate duplicates Z: 17 39.023 2.336 0.676 0.896 1.000 1.000 CA 1.785 17 residues pruned to eliminate duplicates Z: 44 43.916 2.324 0.609 0.584 0.930 0.581 CB 1.777 44 residues pruned to eliminate duplicates Z: 184 126.427 2.441 0.832 0.705 0.951 0.721 CB 1.824 185 residues pruned to eliminate duplicates Z: 15 39.229 2.300 0.900 0.921 1.000 0.714 CB 1.688 15 residues pruned to eliminate duplicates Z: 18 38.469 2.328 0.653 0.886 1.000 0.824 CB 1.750 18 residues pruned to eliminate duplicates Z: 6 7.677 1.763 0.172 0.832 1.000 1.000 CA 1.247 6 residues pruned to eliminate duplicates Z: 6 7.470 1.856 0.014 0.779 1.000 0.800 CA 1.388 6 residues pruned to eliminate duplicates Z: 15 22.444 2.056 0.460 0.924 0.929 0.714 CB 1.511 15 residues pruned to eliminate duplicates Z: 15 20.501 2.011 0.403 0.868 0.929 0.643 CB 1.529 15 residues pruned to eliminate duplicates Z: 16 43.768 2.294 0.885 0.937 1.000 1.000 CA 1.818 16 residues pruned to eliminate duplicates Z: 127 102.774 2.416 0.790 0.720 0.960 0.675 CB 1.807 127 residues pruned to eliminate duplicates Z: 28 23.894 2.160 0.247 0.656 1.000 0.704 CB 1.477 28 residues pruned to eliminate duplicates Z: 7 12.920 2.165 0.018 0.868 1.000 1.000 CB 1.750 7 residues pruned to eliminate duplicates Z: 12 22.724 2.292 0.393 0.876 1.000 1.000 CB 1.559 12 residues pruned to eliminate duplicates Z: 31 40.909 2.231 0.810 0.590 0.967 0.767 CB 1.756 31 residues pruned to eliminate duplicates Z: 18 48.189 2.452 0.867 0.922 0.941 0.765 CB 1.906 18 residues pruned to eliminate duplicates Z: 12 25.232 2.218 0.613 0.855 0.909 0.727 CB 1.726 12 residues pruned to eliminate duplicates Z: 19 67.453 2.409 1.335 0.924 1.000 0.667 C 1.985 19 residues pruned to eliminate duplicates Z: 16 36.283 2.378 0.473 0.920 1.000 1.000 CB 1.883 16 residues pruned to eliminate duplicates Z: 6 10.628 2.008 0.556 0.716 0.800 0.600 CB 1.563 6 residues pruned to eliminate duplicates Z: 10 14.919 2.245 0.534 0.764 0.667 0.444 C 1.712 10 residues pruned to eliminate duplicates Z: 14 20.356 2.053 0.390 0.930 0.923 0.769 CB 1.499 14 residues pruned to eliminate duplicates Z: 12 27.523 2.211 0.505 0.923 1.000 0.818 C 1.752 12 residues pruned to eliminate duplicates Z: 26 68.426 2.449 1.054 0.922 0.960 0.760 CB 1.993 26 residues pruned to eliminate duplicates Z: 8 5.506 1.994 0.131 0.553 0.571 0.429 CA 1.533 8 residues pruned to eliminate duplicates Z: 26 64.171 2.520 1.080 0.944 0.960 0.880 CB 1.766 26 residues pruned to eliminate duplicates Z: 13 13.780 1.884 0.342 0.891 1.000 0.833 CB 1.131 13 residues pruned to eliminate duplicates Z: 46 46.522 2.335 0.679 0.565 0.956 0.578 CB 1.738 46 residues pruned to eliminate duplicates Z: 17 40.885 2.415 1.057 0.916 0.875 0.875 CB 1.660 17 residues pruned to eliminate duplicates Z: 121 90.203 2.422 0.668 0.707 0.950 0.692 CB 1.778 121 residues pruned to eliminate duplicates Z: 10 19.707 2.362 0.050 0.903 1.000 0.889 C 1.887 10 residues pruned to eliminate duplicates Z: 64 39.863 2.141 0.431 0.596 0.921 0.603 CB 1.624 64 residues pruned to eliminate duplicates Z: 12 15.004 1.864 0.246 0.755 1.000 0.364 C 1.552 12 residues pruned to eliminate duplicates Z: 41 59.964 2.386 0.826 0.768 0.975 0.825 CB 1.761 41 residues pruned to eliminate duplicates Z: 11 17.350 2.150 0.274 0.810 0.900 0.400 CA 1.699 11 residues pruned to eliminate duplicates Z: 39 77.365 2.450 1.037 0.809 1.000 0.763 CB 1.921 39 residues pruned to eliminate duplicates Z: 17 32.683 2.300 0.454 0.903 1.000 0.938 CA 1.742 17 residues pruned to eliminate duplicates Z: 43 47.009 2.311 0.686 0.668 0.929 0.738 CB 1.716 43 residues pruned to eliminate duplicates Z: 35 38.918 2.268 0.542 0.653 0.971 0.735 CB 1.705 35 residues pruned to eliminate duplicates Z: 8 9.073 1.605 0.330 0.820 1.000 1.000 CB 1.217 7 residues pruned to eliminate duplicates Z: 26 82.289 2.429 1.424 0.952 1.000 0.720 CB 1.925 26 residues pruned to eliminate duplicates Z: 16 38.939 2.402 0.813 0.901 1.000 0.933 CB 1.648 16 residues pruned to eliminate duplicates Z: 37 42.126 2.348 0.731 0.579 0.889 0.583 CB 1.801 37 residues pruned to eliminate duplicates Z: 11 15.687 2.134 0.240 0.767 0.900 0.600 C 1.645 11 residues pruned to eliminate duplicates Z: 16 41.778 2.383 0.699 0.933 1.000 0.867 CB 1.859 16 residues pruned to eliminate duplicates Z: 83 78.650 2.418 0.806 0.663 0.939 0.732 CB 1.821 83 residues pruned to eliminate duplicates Z: 17 32.341 2.335 0.455 0.938 1.000 1.000 CB 1.656 17 residues pruned to eliminate duplicates Z: 10 10.503 2.094 -0.027 0.855 1.000 0.778 CB 1.267 10 residues pruned to eliminate duplicates Z: 11 18.393 2.151 0.204 0.862 0.900 0.900 CB 1.833 11 residues pruned to eliminate duplicates Z: 77 81.553 2.453 0.728 0.741 0.974 0.763 CB 1.826 77 residues pruned to eliminate duplicates Z: 10 6.214 1.931 0.478 0.252 0.778 0.444 CB 1.241 10 residues pruned to eliminate duplicates Z: 18 41.394 2.344 0.712 0.923 1.000 0.882 CB 1.758 18 residues pruned to eliminate duplicates Z: 16 33.205 2.395 0.384 0.912 1.000 1.000 CB 1.832 16 residues pruned to eliminate duplicates Z: 26 62.162 2.514 0.988 0.903 0.960 0.920 CB 1.846 26 residues pruned to eliminate duplicates Z: 16 38.723 2.438 0.666 0.942 1.000 1.000 CB 1.706 16 residues pruned to eliminate duplicates Z: 29 28.881 2.138 0.540 0.638 0.964 0.571 CB 1.511 29 residues pruned to eliminate duplicates Z: 29 44.501 2.338 0.789 0.639 0.964 0.714 CB 1.829 29 residues pruned to eliminate duplicates Z: 17 33.833 2.472 0.499 0.882 1.000 0.812 CB 1.652 17 residues pruned to eliminate duplicates Z: 6 6.297 1.806 0.060 0.774 0.800 0.400 CA 1.443 6 residues pruned to eliminate duplicates Z: 17 40.150 2.249 0.759 0.914 1.000 0.750 CB 1.795 17 residues pruned to eliminate duplicates Z: 17 41.399 2.351 0.684 0.916 1.000 1.000 CB 1.846 17 residues pruned to eliminate duplicates Z: 16 48.815 2.433 0.963 0.938 1.000 0.933 CA 1.836 16 residues pruned to eliminate duplicates Z: 26 78.676 2.493 1.160 0.929 1.000 0.840 CB 2.045 26 residues pruned to eliminate duplicates Z: 18 49.598 2.351 0.855 0.936 1.000 0.941 CA 1.921 18 residues pruned to eliminate duplicates Z: 18 37.544 2.187 0.881 0.938 1.000 0.647 CB 1.539 18 residues pruned to eliminate duplicates Z: 16 43.417 2.396 0.778 0.928 1.000 1.000 CB 1.843 16 residues pruned to eliminate duplicates Z: 18 36.449 2.268 0.675 0.861 1.000 0.765 CB 1.710 18 residues pruned to eliminate duplicates Z: 8 12.257 1.715 0.372 0.874 1.000 1.000 CB 1.433 8 residues pruned to eliminate duplicates Z: 27 61.908 2.481 1.007 0.936 0.962 0.846 CB 1.765 27 residues pruned to eliminate duplicates Z: 16 58.005 2.474 1.206 0.949 1.000 0.933 CB 1.894 16 residues pruned to eliminate duplicates Z: 18 50.717 2.350 0.929 0.921 1.000 0.882 CA 1.909 18 residues pruned to eliminate duplicates Z: 15 37.451 2.240 0.895 0.918 1.000 0.714 CB 1.663 15 residues pruned to eliminate duplicates Z: 24 26.990 2.152 0.325 0.787 1.000 0.739 CB 1.533 24 residues pruned to eliminate duplicates Z: 11 20.574 2.208 0.752 0.784 0.900 0.900 CB 1.456 11 residues pruned to eliminate duplicates Z: 7 12.518 2.230 1.078 0.386 0.833 0.500 CB 1.494 7 residues pruned to eliminate duplicates Z: 7 8.602 1.741 0.066 0.817 1.000 0.833 C 1.437 7 residues pruned to eliminate duplicates Z: 15 35.720 2.209 0.813 0.933 0.929 0.786 CB 1.791 15 residues pruned to eliminate duplicates Z: 17 36.904 2.440 0.609 0.910 1.000 0.938 CB 1.667 17 residues pruned to eliminate duplicates Z: 61 63.037 2.368 0.715 0.681 0.967 0.700 CB 1.754 61 residues pruned to eliminate duplicates Z: 6 8.860 2.223 0.166 0.770 0.800 0.800 CB 1.505 6 residues pruned to eliminate duplicates Z: 149 112.566 2.446 0.787 0.727 0.953 0.764 CB 1.812 149 residues pruned to eliminate duplicates Z: 58 64.513 2.438 0.700 0.660 0.947 0.649 CB 1.875 58 residues pruned to eliminate duplicates Z: 17 48.079 2.318 1.010 0.917 1.000 0.938 C 1.820 17 residues pruned to eliminate duplicates Z: 31 33.034 2.227 0.558 0.613 0.900 0.667 CB 1.735 31 residues pruned to eliminate duplicates Z: 58 49.877 2.244 0.567 0.659 0.982 0.737 CB 1.650 58 residues pruned to eliminate duplicates Z: 58 66.225 2.431 0.720 0.668 0.965 0.614 CB 1.861 58 residues pruned to eliminate duplicates Z: 134 120.466 2.446 0.903 0.755 0.970 0.774 CB 1.844 134 residues pruned to eliminate duplicates Z: 11 18.548 2.199 0.308 0.907 1.000 0.900 CB 1.449 11 residues pruned to eliminate duplicates Z: 14 20.740 2.092 0.237 0.929 1.000 0.769 CB 1.556 14 residues pruned to eliminate duplicates Z: 85 84.698 2.399 0.861 0.725 0.952 0.667 CB 1.774 85 residues pruned to eliminate duplicates Z: 13 12.152 2.081 0.062 0.578 0.917 0.750 CB 1.607 13 residues pruned to eliminate duplicates Z: 56 75.484 2.436 0.980 0.731 0.964 0.745 CB 1.780 56 residues pruned to eliminate duplicates Z: 61 56.991 2.318 0.652 0.680 0.950 0.633 CB 1.714 61 residues pruned to eliminate duplicates Z: 81 76.060 2.413 0.854 0.640 0.900 0.675 CB 1.853 81 residues pruned to eliminate duplicates Z: 10 23.294 2.338 0.691 0.680 1.000 0.556 CA 1.664 10 residues pruned to eliminate duplicates Z: 12 15.832 2.112 0.236 0.894 1.000 0.818 CB 1.312 12 residues pruned to eliminate duplicates Z: 18 55.603 2.381 1.037 0.936 1.000 0.941 CB 1.936 18 residues pruned to eliminate duplicates Z: 11 14.748 2.107 0.044 0.779 1.000 0.900 CA 1.658 11 residues pruned to eliminate duplicates Z: 18 33.656 2.280 0.850 0.871 0.941 0.706 CB 1.500 18 residues pruned to eliminate duplicates Z: 17 36.525 2.253 0.643 0.896 1.000 0.812 CA 1.767 17 residues pruned to eliminate duplicates Z: 18 46.447 2.472 1.058 0.759 1.000 0.824 CB 1.759 18 residues pruned to eliminate duplicates Z: 16 27.738 2.347 0.722 0.492 0.933 0.467 CA 1.913 16 residues pruned to eliminate duplicates Z: 38 71.153 2.465 0.985 0.799 0.973 0.865 CB 1.891 38 residues pruned to eliminate duplicates Z: 155 105.447 2.363 0.769 0.693 0.948 0.714 CB 1.797 155 residues pruned to eliminate duplicates Z: 12 16.575 2.041 0.527 0.790 0.909 0.727 CB 1.368 12 residues pruned to eliminate duplicates Z: 13 28.793 2.102 1.042 0.803 0.917 0.833 CB 1.622 13 residues pruned to eliminate duplicates Z: 15 39.697 2.185 0.959 0.934 1.000 0.786 CB 1.728 15 residues pruned to eliminate duplicates Z: 18 36.345 2.346 0.536 0.888 1.000 0.941 CB 1.762 18 residues pruned to eliminate duplicates Z: 28 29.581 2.153 0.497 0.663 1.000 0.741 CB 1.519 28 residues pruned to eliminate duplicates Z: 144 108.846 2.403 0.742 0.751 0.965 0.797 CB 1.801 144 residues pruned to eliminate duplicates Z: 184 123.848 2.441 0.791 0.712 0.951 0.727 CB 1.817 184 residues pruned to eliminate duplicates Z: 89 93.348 2.414 0.801 0.767 0.977 0.670 CB 1.849 89 residues pruned to eliminate duplicates Z: 16 44.350 2.528 0.690 0.931 1.000 0.867 CB 1.872 16 residues pruned to eliminate duplicates Z: 67 86.402 2.465 0.945 0.745 0.955 0.758 CB 1.866 67 residues pruned to eliminate duplicates Z: 13 15.898 1.963 0.186 0.692 1.000 0.667 CA 1.654 13 residues pruned to eliminate duplicates Z: 17 49.290 2.297 1.202 0.910 1.000 0.812 CB 1.727 17 residues pruned to eliminate duplicates Z: 17 42.362 2.419 0.660 0.861 1.000 0.875 CB 1.938 17 residues pruned to eliminate duplicates Z: 137 99.598 2.414 0.711 0.692 0.963 0.669 CB 1.801 137 residues pruned to eliminate duplicates Z: 11 27.048 2.312 0.866 0.918 0.900 0.800 CB 1.553 11 residues pruned to eliminate duplicates Z: 26 68.835 2.437 1.142 0.943 1.000 0.680 CB 1.828 26 residues pruned to eliminate duplicates Z: 44 64.814 2.408 0.838 0.733 0.977 0.791 CB 1.854 44 residues pruned to eliminate duplicates Z: 11 12.174 1.879 0.330 0.528 1.000 0.700 C 1.498 11 residues pruned to eliminate duplicates Z: 12 15.821 2.068 0.354 0.912 1.000 0.818 CB 1.207 12 residues pruned to eliminate duplicates Z: 6 6.228 1.625 0.322 0.614 1.000 0.800 CB 1.164 6 residues pruned to eliminate duplicates Z: 8 2.965 1.696 0.395 0.209 0.571 0.000 CB 1.169 8 residues pruned to eliminate duplicates Z: 7 11.158 1.930 0.322 0.853 1.000 0.667 CA 1.320 7 residues pruned to eliminate duplicates Z: 91 76.097 2.383 0.712 0.706 0.922 0.756 CB 1.768 91 residues pruned to eliminate duplicates Z: 16 32.709 2.153 0.865 0.880 0.933 0.467 CB 1.633 16 residues pruned to eliminate duplicates Z: 155 117.822 2.453 0.851 0.699 0.948 0.701 CB 1.840 155 residues pruned to eliminate duplicates Z: 14 24.092 2.042 0.649 0.926 0.923 0.692 CB 1.507 14 residues pruned to eliminate duplicates Z: 18 33.828 2.387 0.471 0.895 1.000 1.000 CB 1.676 18 residues pruned to eliminate duplicates Z: 10 19.305 2.173 0.388 0.823 1.000 0.333 C 1.612 10 residues pruned to eliminate duplicates Z: 11 11.484 2.121 -0.159 0.764 1.000 0.900 C 1.611 11 residues pruned to eliminate duplicates Z: 6 10.606 1.920 0.580 0.764 1.000 0.600 CA 1.236 6 residues pruned to eliminate duplicates Z: 39 58.834 2.397 0.690 0.809 0.974 0.789 CB 1.849 39 residues pruned to eliminate duplicates Z: 10 18.314 2.302 0.347 0.874 0.889 0.667 CB 1.612 10 residues pruned to eliminate duplicates Z: 18 39.192 2.390 0.473 0.932 0.941 0.941 CB 2.004 18 residues pruned to eliminate duplicates Z: 14 11.719 1.938 0.343 0.505 0.923 0.615 CB 1.347 14 residues pruned to eliminate duplicates Z: 90 97.948 2.404 0.859 0.750 1.000 0.764 CB 1.858 90 residues pruned to eliminate duplicates Z: 10 23.555 2.130 0.533 0.907 1.000 0.778 C 1.708 10 residues pruned to eliminate duplicates Z: 11 13.322 2.068 -0.011 0.677 1.000 0.600 CA 1.749 11 residues pruned to eliminate duplicates Z: 47 69.962 2.523 0.874 0.761 0.957 0.870 CB 1.808 47 residues pruned to eliminate duplicates Z: 14 22.089 2.299 0.333 0.787 0.923 0.923 CB 1.682 14 residues pruned to eliminate duplicates Z: 17 36.869 2.324 0.516 0.868 1.000 0.875 CA 1.913 17 residues pruned to eliminate duplicates Z: 36 54.458 2.327 0.818 0.752 0.943 0.857 CB 1.844 36 residues pruned to eliminate duplicates Z: 11 13.792 2.052 -0.042 0.797 1.000 0.700 CA 1.711 11 residues pruned to eliminate duplicates Z: 9 9.369 2.010 0.337 0.536 0.750 0.625 CB 1.585 9 residues pruned to eliminate duplicates Z: 6 7.853 1.879 0.115 0.781 1.000 0.800 CA 1.309 6 residues pruned to eliminate duplicates Z: 15 27.036 1.988 0.726 0.880 1.000 0.643 CB 1.526 15 residues pruned to eliminate duplicates Z: 16 17.455 2.156 0.479 0.515 0.867 0.533 CB 1.607 16 residues pruned to eliminate duplicates Z: 13 36.069 2.391 0.884 0.882 0.917 0.917 C 1.825 13 residues pruned to eliminate duplicates Z: 20 14.895 1.921 0.691 0.372 0.947 0.579 CB 1.273 20 residues pruned to eliminate duplicates Z: 39 64.654 2.387 0.836 0.820 1.000 0.921 CB 1.813 39 residues pruned to eliminate duplicates Z: 150 97.413 2.335 0.748 0.690 0.960 0.685 CB 1.712 150 residues pruned to eliminate duplicates Z: 17 40.532 2.463 0.774 0.760 1.000 0.812 CB 1.840 17 residues pruned to eliminate duplicates Z: 15 31.123 2.217 0.533 0.925 1.000 1.000 CB 1.717 15 residues pruned to eliminate duplicates Z: 14 22.251 2.072 0.697 0.719 0.923 0.923 C 1.560 14 residues pruned to eliminate duplicates Z: 38 58.850 2.373 0.977 0.760 0.946 0.811 CB 1.730 38 residues pruned to eliminate duplicates Z: 46 59.392 2.452 0.642 0.760 0.956 0.733 CB 1.827 46 residues pruned to eliminate duplicates Z: 10 14.437 2.158 0.057 0.883 1.000 0.889 C 1.525 10 residues pruned to eliminate duplicates Z: 29 36.493 2.243 0.737 0.641 0.857 0.679 CB 1.809 29 residues pruned to eliminate duplicates Z: 18 41.437 2.293 0.926 0.861 0.941 0.765 CB 1.776 18 residues pruned to eliminate duplicates Z: 27 53.325 2.405 0.929 0.888 0.962 0.731 CB 1.688 27 residues pruned to eliminate duplicates Z: 8 9.622 2.061 0.420 0.700 0.857 0.571 CB 1.208 8 residues pruned to eliminate duplicates Z: 12 20.523 2.445 0.391 0.757 0.909 0.909 CB 1.592 12 residues pruned to eliminate duplicates Z: 68 71.556 2.369 0.781 0.705 0.970 0.731 CB 1.773 68 residues pruned to eliminate duplicates Z: 26 38.322 2.291 0.609 0.658 0.960 0.640 CB 1.870 26 residues pruned to eliminate duplicates Z: 20 26.212 2.309 0.630 0.440 1.000 0.474 CB 1.699 20 residues pruned to eliminate duplicates Z: 124 100.059 2.432 0.718 0.740 0.943 0.732 CB 1.847 124 residues pruned to eliminate duplicates Z: 17 38.030 2.331 0.659 0.906 1.000 0.875 CB 1.749 17 residues pruned to eliminate duplicates Z: 50 53.989 2.376 0.779 0.590 0.918 0.612 CB 1.823 50 residues pruned to eliminate duplicates Z: 35 40.106 2.243 0.669 0.632 0.971 0.706 CB 1.672 34 residues pruned to eliminate duplicates Z: 12 17.365 2.069 0.526 0.860 0.909 0.818 CB 1.341 12 residues pruned to eliminate duplicates Z: 27 46.699 2.250 0.819 0.716 1.000 0.769 CA 1.840 27 residues pruned to eliminate duplicates Z: 12 12.584 1.890 0.350 0.725 0.909 0.636 CB 1.335 12 residues pruned to eliminate duplicates Z: 23 31.801 2.280 0.706 0.640 0.909 0.864 CB 1.682 23 residues pruned to eliminate duplicates Z: 7 3.584 1.275 0.273 0.538 0.833 0.667 N 1.042 Z: 115 94.457 2.437 0.737 0.722 0.974 0.763 CB 1.755 115 residues pruned to eliminate duplicates Z: 7 9.118 1.880 0.070 0.850 1.000 1.000 CB 1.371 7 residues pruned to eliminate duplicates Z: 54 58.977 2.367 0.770 0.611 0.943 0.660 CB 1.845 54 residues pruned to eliminate duplicates Z: 23 36.226 2.173 0.861 0.634 0.955 0.773 CB 1.764 23 residues pruned to eliminate duplicates Z: 11 14.694 2.107 0.285 0.875 1.000 0.700 CB 1.249 11 residues pruned to eliminate duplicates Z: 151 104.624 2.414 0.768 0.681 0.940 0.727 CB 1.803 151 residues pruned to eliminate duplicates Z: 54 57.843 2.294 0.774 0.664 0.981 0.623 CB 1.710 54 residues pruned to eliminate duplicates Z: 9 7.968 2.031 0.157 0.632 0.750 0.750 CA 1.412 9 residues pruned to eliminate duplicates Z: 40 49.341 2.347 0.766 0.586 0.974 0.615 CB 1.801 41 residues pruned to eliminate duplicates Z: 26 39.320 2.434 0.629 0.696 0.960 0.800 CB 1.727 26 residues pruned to eliminate duplicates Z: 96 88.651 2.378 0.781 0.719 0.979 0.716 CB 1.800 96 residues pruned to eliminate duplicates Z: 17 48.581 2.470 0.934 0.938 1.000 0.938 CB 1.768 17 residues pruned to eliminate duplicates Z: 138 94.843 2.368 0.743 0.689 0.934 0.745 CB 1.767 138 residues pruned to eliminate duplicates Z: 74 83.409 2.420 0.912 0.717 0.959 0.685 CB 1.808 74 residues pruned to eliminate duplicates Z: 22 26.944 2.173 0.590 0.647 0.905 0.810 CB 1.640 22 residues pruned to eliminate duplicates Z: 118 98.043 2.425 0.745 0.725 0.974 0.769 CB 1.794 118 residues pruned to eliminate duplicates Z: 25 80.706 2.523 1.356 0.951 1.000 0.667 CB 1.910 25 residues pruned to eliminate duplicates Z: 40 50.829 2.374 0.721 0.730 0.923 0.769 CB 1.755 40 residues pruned to eliminate duplicates Z: 11 29.789 2.125 0.875 0.938 1.000 1.000 C 1.644 11 residues pruned to eliminate duplicates Z: 36 55.690 2.444 0.716 0.758 0.971 0.857 CB 1.837 36 residues pruned to eliminate duplicates Z: 26 28.173 2.181 0.576 0.596 0.880 0.520 CB 1.699 26 residues pruned to eliminate duplicates Z: 21 48.057 2.315 1.163 0.858 0.900 0.700 CB 1.756 21 residues pruned to eliminate duplicates Z: 14 38.387 2.370 0.911 0.867 1.000 0.846 CB 1.720 14 residues pruned to eliminate duplicates Z: 35 44.510 2.277 0.732 0.696 0.941 0.765 CB 1.719 35 residues pruned to eliminate duplicates Z: 112 100.737 2.391 0.915 0.727 0.964 0.730 CB 1.765 112 residues pruned to eliminate duplicates Z: 14 39.831 2.205 0.949 0.918 1.000 0.769 CA 1.813 14 residues pruned to eliminate duplicates Z: 9 21.761 2.201 0.611 0.869 1.000 1.000 CA 1.586 9 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 29 26.054 2.160 0.319 0.645 1.000 0.786 CB 1.510 29 residues pruned to eliminate duplicates Z: 29 25.945 2.147 0.313 0.643 1.000 0.607 CB 1.522 29 residues pruned to eliminate duplicates Z: 47 31.686 2.149 0.405 0.542 0.957 0.587 CB 1.553 47 residues pruned to eliminate duplicates Z: 11 12.110 2.167 0.730 0.281 1.000 0.500 CB 1.308 11 residues pruned to eliminate duplicates Z: 6 10.382 1.987 0.954 0.400 1.000 0.600 CB 1.328 6 residues pruned to eliminate duplicates Z: 41 23.917 1.963 0.423 0.560 0.875 0.600 CB 1.460 41 residues pruned to eliminate duplicates Z: 59 46.823 2.234 0.529 0.649 0.948 0.603 CB 1.652 59 residues pruned to eliminate duplicates Z: 43 32.107 2.216 0.388 0.599 0.929 0.619 CB 1.579 43 residues pruned to eliminate duplicates Z: 58 54.111 2.256 0.674 0.685 0.965 0.684 CB 1.660 58 residues pruned to eliminate duplicates Z: 38 27.652 2.152 0.345 0.590 0.973 0.622 CB 1.480 38 residues pruned to eliminate duplicates Z: 28 27.979 2.181 0.427 0.653 1.000 0.667 CB 1.500 28 residues pruned to eliminate duplicates Z: 7 8.879 1.957 0.398 0.498 1.000 0.667 CB 1.328 7 residues pruned to eliminate duplicates Z: 58 45.264 2.194 0.540 0.628 0.930 0.632 CB 1.692 58 residues pruned to eliminate duplicates Z: 54 47.566 2.218 0.693 0.618 0.925 0.585 CB 1.684 54 residues pruned to eliminate duplicates Z: 13 14.564 2.067 0.020 0.924 0.917 0.833 CB 1.528 13 residues pruned to eliminate duplicates Z: 42 32.030 2.227 0.312 0.609 0.951 0.561 CB 1.622 42 residues pruned to eliminate duplicates Z: 28 27.166 2.181 0.421 0.642 0.963 0.667 CB 1.535 28 residues pruned to eliminate duplicates Z: 58 47.586 2.237 0.560 0.664 0.947 0.649 CB 1.638 58 residues pruned to eliminate duplicates Z: 14 23.353 2.071 0.593 0.920 0.923 0.769 CB 1.497 14 residues pruned to eliminate duplicates Z: 29 32.055 2.151 0.676 0.653 0.964 0.643 CB 1.511 29 residues pruned to eliminate duplicates Z: 29 31.981 2.142 0.674 0.652 0.964 0.607 CB 1.518 29 residues pruned to eliminate duplicates Z: 30 29.597 2.119 0.589 0.642 1.000 0.759 CB 1.429 30 residues pruned to eliminate duplicates Z: 37 29.270 2.091 0.562 0.591 0.944 0.611 CB 1.450 37 residues pruned to eliminate duplicates Z: 58 52.523 2.251 0.630 0.668 0.965 0.719 CB 1.683 58 residues pruned to eliminate duplicates Z: 15 26.077 2.014 0.617 0.893 1.000 0.786 CB 1.536 15 residues pruned to eliminate duplicates Z: 58 54.758 2.243 0.648 0.681 0.982 0.684 CB 1.691 58 residues pruned to eliminate duplicates Z: 18 18.623 1.835 0.529 0.799 0.882 0.765 CB 1.404 18 residues pruned to eliminate duplicates Z: 42 36.722 2.197 0.564 0.592 0.951 0.610 CB 1.606 42 residues pruned to eliminate duplicates Z: 7 10.239 1.911 0.277 0.681 1.000 0.667 C 1.450 7 residues pruned to eliminate duplicates Z: 14 16.663 2.363 0.261 0.580 0.769 0.385 CB 1.867 14 residues pruned to eliminate duplicates Z: 28 35.752 2.351 0.410 0.667 0.926 0.593 CB 1.920 28 residues pruned to eliminate duplicates Z: 16 13.610 2.097 0.340 0.503 0.800 0.267 CB 1.559 16 residues pruned to eliminate duplicates Z: 15 15.945 2.297 0.435 0.480 0.786 0.286 CB 1.679 15 residues pruned to eliminate duplicates Z: 58 51.858 2.277 0.500 0.683 0.982 0.702 CB 1.730 58 residues pruned to eliminate duplicates Z: 33 29.627 2.160 0.462 0.632 0.844 0.656 CB 1.736 33 residues pruned to eliminate duplicates Z: 154 103.561 2.377 0.703 0.712 0.954 0.758 CB 1.788 154 residues pruned to eliminate duplicates Z: 30 39.538 2.304 0.705 0.699 0.828 0.655 CB 1.884 30 residues pruned to eliminate duplicates Z: 14 23.399 2.382 0.405 0.565 1.000 0.538 CB 1.820 14 residues pruned to eliminate duplicates Z: 30 43.844 2.345 0.708 0.704 0.897 0.517 CA 1.883 30 residues pruned to eliminate duplicates Z: 30 40.088 2.314 0.623 0.704 0.897 0.586 CA 1.836 30 residues pruned to eliminate duplicates Z: 31 37.911 2.277 0.672 0.639 0.900 0.633 CB 1.773 31 residues pruned to eliminate duplicates Z: 18 35.203 2.163 0.896 0.772 1.000 0.941 CB 1.636 18 residues pruned to eliminate duplicates Z: 17 36.683 2.320 0.800 0.808 1.000 0.938 CB 1.679 17 residues pruned to eliminate duplicates Z: 18 33.234 2.273 0.662 0.759 0.941 0.706 CB 1.800 18 residues pruned to eliminate duplicates Z: 16 38.672 2.423 0.622 0.859 1.000 0.867 CA 1.869 16 residues pruned to eliminate duplicates Z: 156 111.588 2.405 0.777 0.713 0.948 0.690 CB 1.822 156 residues pruned to eliminate duplicates Z: 30 48.789 2.334 0.777 0.710 0.966 0.724 CB 1.871 30 residues pruned to eliminate duplicates Z: 18 46.223 2.296 1.152 0.785 1.000 0.882 CB 1.767 18 residues pruned to eliminate duplicates Z: 30 50.472 2.306 1.021 0.707 0.931 0.621 CB 1.789 30 residues pruned to eliminate duplicates Z: 29 49.492 2.379 0.822 0.719 0.929 0.714 CB 1.906 29 residues pruned to eliminate duplicates Z: 124 103.957 2.415 0.766 0.746 0.967 0.756 CB 1.823 124 residues pruned to eliminate duplicates Z: 17 39.559 2.376 0.712 0.868 1.000 0.875 CB 1.777 17 residues pruned to eliminate duplicates Z: 73 75.653 2.393 0.798 0.720 0.944 0.708 CB 1.799 73 residues pruned to eliminate duplicates Z: 158 108.267 2.394 0.654 0.727 0.975 0.745 CB 1.824 158 residues pruned to eliminate duplicates Z: 68 69.200 2.353 0.672 0.731 0.970 0.672 CB 1.800 68 residues pruned to eliminate duplicates Z: 142 112.460 2.417 0.778 0.754 0.972 0.809 CB 1.808 142 residues pruned to eliminate duplicates Z: 141 112.804 2.439 0.732 0.748 0.971 0.779 CB 1.862 141 residues pruned to eliminate duplicates Z: 57 75.222 2.424 0.783 0.768 0.982 0.750 CB 1.867 57 residues pruned to eliminate duplicates Z: 142 114.819 2.427 0.771 0.750 0.986 0.759 CB 1.825 142 residues pruned to eliminate duplicates Z: 67 70.722 2.363 0.803 0.737 0.955 0.727 CB 1.730 67 residues pruned to eliminate duplicates Z: 91 82.551 2.380 0.735 0.698 0.978 0.644 CB 1.799 91 residues pruned to eliminate duplicates Z: 78 83.538 2.390 0.818 0.731 0.974 0.766 CB 1.827 78 residues pruned to eliminate duplicates Z: 151 96.943 2.334 0.730 0.681 0.960 0.693 CB 1.729 151 residues pruned to eliminate duplicates Z: 128 99.053 2.413 0.721 0.729 0.953 0.701 CB 1.808 128 residues pruned to eliminate duplicates Z: 70 76.752 2.405 0.769 0.745 0.971 0.696 CB 1.796 70 residues pruned to eliminate duplicates Z: 40 52.580 2.331 0.959 0.656 0.897 0.667 CB 1.778 40 residues pruned to eliminate duplicates Z: 144 111.028 2.415 0.736 0.759 0.979 0.762 CB 1.796 144 residues pruned to eliminate duplicates Z: 50 49.498 2.310 0.784 0.622 0.857 0.531 CB 1.784 50 residues pruned to eliminate duplicates Z: 80 76.564 2.371 0.701 0.713 0.975 0.722 CB 1.807 80 residues pruned to eliminate duplicates Z: 143 110.942 2.424 0.739 0.744 0.979 0.732 CB 1.815 143 residues pruned to eliminate duplicates Z: 45 53.929 2.315 0.820 0.647 0.932 0.659 CB 1.805 45 residues pruned to eliminate duplicates Z: 128 99.160 2.414 0.698 0.719 0.969 0.701 CB 1.817 128 residues pruned to eliminate duplicates Z: 142 108.984 2.410 0.793 0.733 0.965 0.716 CB 1.786 142 residues pruned to eliminate duplicates Z: 65 85.313 2.425 0.910 0.776 0.984 0.812 CB 1.833 65 residues pruned to eliminate duplicates Z: 135 110.162 2.418 0.807 0.726 0.970 0.716 CB 1.831 135 residues pruned to eliminate duplicates Z: 106 84.372 2.343 0.693 0.702 0.990 0.705 CB 1.743 105 residues pruned to eliminate duplicates Z: 34 64.946 2.454 0.810 0.835 1.000 0.909 CB 1.906 34 residues pruned to eliminate duplicates Z: 144 108.654 2.408 0.751 0.735 0.979 0.748 CB 1.782 144 residues pruned to eliminate duplicates Z: 142 108.027 2.411 0.729 0.749 0.965 0.752 CB 1.811 142 residues pruned to eliminate duplicates Z: 142 116.174 2.430 0.770 0.758 0.986 0.780 CB 1.834 142 residues pruned to eliminate duplicates Z: 127 107.077 2.430 0.784 0.728 0.976 0.754 CB 1.836 127 residues pruned to eliminate duplicates Z: 183 109.987 2.358 0.707 0.698 0.967 0.736 CB 1.748 183 residues pruned to eliminate duplicates Z: 143 113.127 2.421 0.753 0.750 0.986 0.725 CB 1.815 143 residues pruned to eliminate duplicates Z: 143 113.413 2.425 0.785 0.746 0.986 0.782 CB 1.790 143 residues pruned to eliminate duplicates Z: 141 109.258 2.435 0.715 0.755 0.986 0.800 CB 1.787 141 residues pruned to eliminate duplicates Z: 51 58.898 2.371 0.757 0.697 0.940 0.840 CB 1.777 51 residues pruned to eliminate duplicates Z: 123 102.899 2.435 0.736 0.746 0.975 0.811 CB 1.813 123 residues pruned to eliminate duplicates Z: 157 110.178 2.401 0.759 0.719 0.949 0.769 CB 1.806 157 residues pruned to eliminate duplicates Z: 130 101.975 2.409 0.757 0.717 0.961 0.775 CB 1.813 130 residues pruned to eliminate duplicates Z: 142 109.434 2.390 0.822 0.727 0.957 0.745 CB 1.800 142 residues pruned to eliminate duplicates Z: 128 102.077 2.414 0.767 0.719 0.961 0.693 CB 1.813 128 residues pruned to eliminate duplicates Z: 129 101.103 2.406 0.767 0.722 0.945 0.750 CB 1.819 129 residues pruned to eliminate duplicates Z: 55 68.403 2.419 0.736 0.784 0.963 0.815 CB 1.793 55 residues pruned to eliminate duplicates Z: 142 113.245 2.436 0.745 0.750 0.979 0.759 CB 1.835 142 residues pruned to eliminate duplicates Z: 93 82.810 2.366 0.726 0.738 0.946 0.717 CB 1.806 93 residues pruned to eliminate duplicates Z: 135 106.647 2.435 0.783 0.744 0.963 0.813 CB 1.771 135 residues pruned to eliminate duplicates Z: 144 112.092 2.412 0.792 0.738 0.965 0.741 CB 1.815 144 residues pruned to eliminate duplicates Z: 142 114.939 2.431 0.785 0.754 0.979 0.759 CB 1.817 142 residues pruned to eliminate duplicates Z: 94 88.084 2.408 0.733 0.731 0.978 0.774 CB 1.817 94 residues pruned to eliminate duplicates Z: 95 88.769 2.398 0.776 0.732 0.968 0.755 CB 1.803 95 residues pruned to eliminate duplicates Z: 90 84.067 2.381 0.772 0.721 0.955 0.742 CB 1.810 90 residues pruned to eliminate duplicates Z: 146 113.518 2.398 0.802 0.734 0.972 0.759 CB 1.818 146 residues pruned to eliminate duplicates Z: 80 68.113 2.360 0.700 0.667 0.949 0.709 CB 1.724 80 residues pruned to eliminate duplicates Z: 96 83.854 2.368 0.698 0.730 0.968 0.716 CB 1.796 96 residues pruned to eliminate duplicates Z: 97 77.617 2.327 0.735 0.688 0.917 0.656 CB 1.801 97 residues pruned to eliminate duplicates Z: 187 111.224 2.344 0.717 0.703 0.962 0.737 CB 1.751 187 residues pruned to eliminate duplicates Z: 139 113.980 2.437 0.809 0.751 0.971 0.761 CB 1.813 139 residues pruned to eliminate duplicates Z: 142 117.839 2.421 0.854 0.743 0.965 0.759 CB 1.844 142 residues pruned to eliminate duplicates Z: 94 77.154 2.353 0.685 0.708 0.935 0.710 CB 1.785 73 residues pruned to eliminate duplicates Z: 20 44.133 2.343 0.894 0.828 0.947 0.789 CB 1.813 20 residues pruned to eliminate duplicates Z: 75 81.049 2.458 0.696 0.742 0.986 0.730 CB 1.846 75 residues pruned to eliminate duplicates Z: 87 90.867 2.386 0.837 0.741 1.000 0.779 CB 1.802 87 residues pruned to eliminate duplicates Z: 142 108.940 2.423 0.736 0.741 0.979 0.752 CB 1.795 142 residues pruned to eliminate duplicates Z: 90 84.007 2.381 0.732 0.719 0.978 0.764 CB 1.812 90 residues pruned to eliminate duplicates Z: 94 74.709 2.341 0.682 0.690 0.946 0.699 CB 1.747 87 residues pruned to eliminate duplicates Z: 18 49.990 2.410 0.838 0.885 1.000 0.824 CB 1.975 18 residues pruned to eliminate duplicates Z: 132 111.950 2.427 0.830 0.754 0.969 0.786 CB 1.811 132 residues pruned to eliminate duplicates Z: 134 107.230 2.431 0.774 0.739 0.970 0.774 CB 1.794 134 residues pruned to eliminate duplicates Z: 121 98.769 2.400 0.771 0.723 0.950 0.758 CB 1.826 58 residues pruned to eliminate duplicates Z: 19 47.014 2.354 0.858 0.906 1.000 0.722 CB 1.802 19 residues pruned to eliminate duplicates Z: 144 109.365 2.412 0.762 0.739 0.965 0.797 CB 1.800 144 residues pruned to eliminate duplicates Z: 78 82.943 2.431 0.780 0.726 0.974 0.766 CB 1.829 76 residues pruned to eliminate duplicates Z: 17 50.841 2.458 0.951 0.933 1.000 1.000 CB 1.849 17 residues pruned to eliminate duplicates Z: 142 114.324 2.431 0.795 0.745 0.957 0.723 CB 1.851 142 residues pruned to eliminate duplicates Z: 89 81.085 2.402 0.644 0.732 0.977 0.682 CB 1.819 89 residues pruned to eliminate duplicates Z: 148 91.326 2.331 0.665 0.669 0.946 0.694 CB 1.755 148 residues pruned to eliminate duplicates Z: 94 83.418 2.401 0.661 0.728 0.989 0.742 CB 1.787 94 residues pruned to eliminate duplicates Z: 88 67.661 2.371 0.589 0.714 0.908 0.667 CB 1.747 88 residues pruned to eliminate duplicates Z: 128 101.590 2.415 0.729 0.722 0.976 0.709 CB 1.810 128 residues pruned to eliminate duplicates Z: 126 99.856 2.427 0.788 0.699 0.952 0.728 CB 1.804 126 residues pruned to eliminate duplicates Z: 89 82.358 2.411 0.687 0.732 0.955 0.784 CB 1.836 89 residues pruned to eliminate duplicates Z: 95 90.940 2.400 0.764 0.739 0.979 0.777 CB 1.828 95 residues pruned to eliminate duplicates Z: 144 103.538 2.372 0.745 0.731 0.951 0.671 CB 1.787 144 residues pruned to eliminate duplicates Z: 94 89.714 2.409 0.760 0.735 0.978 0.731 CB 1.816 94 residues pruned to eliminate duplicates Z: 74 81.012 2.415 0.781 0.755 0.959 0.726 CB 1.832 74 residues pruned to eliminate duplicates Z: 132 114.495 2.451 0.831 0.743 0.977 0.779 CB 1.836 132 residues pruned to eliminate duplicates Z: 140 107.038 2.417 0.729 0.735 0.971 0.719 CB 1.811 140 residues pruned to eliminate duplicates Z: 141 111.699 2.400 0.809 0.746 0.971 0.757 CB 1.797 141 residues pruned to eliminate duplicates Z: 147 110.224 2.389 0.792 0.730 0.979 0.705 CB 1.769 147 residues pruned to eliminate duplicates Z: 93 83.889 2.365 0.751 0.709 0.978 0.739 CB 1.785 93 residues pruned to eliminate duplicates Z: 79 77.139 2.428 0.748 0.733 0.936 0.692 CB 1.784 79 residues pruned to eliminate duplicates Z: 128 104.299 2.429 0.762 0.727 0.976 0.740 CB 1.805 128 residues pruned to eliminate duplicates Z: 184 115.401 2.360 0.792 0.704 0.967 0.678 CB 1.731 184 residues pruned to eliminate duplicates Z: 157 108.302 2.394 0.714 0.721 0.962 0.763 CB 1.800 157 residues pruned to eliminate duplicates Z: 38 62.619 2.468 0.719 0.797 1.000 0.865 CB 1.871 38 residues pruned to eliminate duplicates Z: 90 77.473 2.376 0.705 0.705 0.944 0.742 CB 1.782 90 residues pruned to eliminate duplicates Z: 88 79.564 2.408 0.675 0.736 0.943 0.667 CB 1.815 88 residues pruned to eliminate duplicates Z: 129 105.749 2.405 0.837 0.724 0.969 0.719 CB 1.784 129 residues pruned to eliminate duplicates Z: 81 81.694 2.386 0.867 0.717 0.950 0.688 CB 1.773 81 residues pruned to eliminate duplicates Z: 183 121.233 2.371 0.818 0.717 0.967 0.731 CB 1.771 183 residues pruned to eliminate duplicates Z: 89 87.648 2.406 0.796 0.722 0.989 0.670 CB 1.790 89 residues pruned to eliminate duplicates Z: 85 85.738 2.391 0.852 0.742 0.952 0.679 CB 1.786 85 residues pruned to eliminate duplicates Z: 39 62.912 2.426 0.857 0.777 0.947 0.711 CB 1.872 39 residues pruned to eliminate duplicates Z: 39 69.887 2.373 1.119 0.765 0.974 0.684 CB 1.830 39 residues pruned to eliminate duplicates Z: 139 112.020 2.409 0.834 0.733 0.978 0.746 CB 1.789 139 residues pruned to eliminate duplicates Z: 65 83.165 2.432 1.043 0.745 0.938 0.750 CB 1.793 65 residues pruned to eliminate duplicates Z: 87 92.914 2.431 0.836 0.753 0.977 0.744 CB 1.833 87 residues pruned to eliminate duplicates Z: 129 110.058 2.410 0.900 0.719 0.961 0.711 CB 1.814 129 residues pruned to eliminate duplicates Z: 87 92.308 2.425 0.844 0.741 0.977 0.709 CB 1.835 87 residues pruned to eliminate duplicates Z: 77 89.800 2.439 0.956 0.748 0.947 0.750 CB 1.827 78 residues pruned to eliminate duplicates Z: 27 72.333 2.455 1.389 0.920 0.962 0.692 CB 1.771 27 residues pruned to eliminate duplicates Z: 134 118.449 2.422 0.976 0.744 0.977 0.759 CB 1.765 134 residues pruned to eliminate duplicates Z: 89 89.136 2.389 0.871 0.730 0.955 0.693 CB 1.810 89 residues pruned to eliminate duplicates Z: 119 110.299 2.440 0.979 0.730 0.958 0.695 CB 1.785 119 residues pruned to eliminate duplicates Z: 94 72.164 2.340 0.678 0.682 0.914 0.688 CB 1.764 94 residues pruned to eliminate duplicates Z: 90 88.549 2.396 0.874 0.714 0.955 0.685 CB 1.804 88 residues pruned to eliminate duplicates Z: 27 77.267 2.473 1.402 0.931 1.000 0.769 CB 1.782 27 residues pruned to eliminate duplicates Z: 142 123.634 2.424 0.903 0.747 0.986 0.723 CB 1.836 142 residues pruned to eliminate duplicates Z: 90 85.125 2.364 0.884 0.719 0.933 0.697 CB 1.782 90 residues pruned to eliminate duplicates Z: 130 110.890 2.396 0.901 0.722 0.969 0.752 CB 1.810 130 residues pruned to eliminate duplicates Z: 15 14.560 1.929 0.202 0.616 0.929 0.714 CA 1.620 15 residues pruned to eliminate duplicates Z: 131 104.269 2.395 0.854 0.719 0.954 0.692 CB 1.771 131 residues pruned to eliminate duplicates Z: 91 76.346 2.297 0.815 0.680 0.944 0.611 CB 1.732 91 residues pruned to eliminate duplicates Z: 76 72.936 2.320 0.891 0.670 0.947 0.600 CB 1.734 76 residues pruned to eliminate duplicates Z: 13 19.624 2.076 0.346 0.743 0.917 0.667 CB 1.778 13 residues pruned to eliminate duplicates Z: 140 120.766 2.445 0.844 0.754 0.986 0.784 CB 1.839 140 residues pruned to eliminate duplicates Z: 142 121.728 2.426 0.886 0.758 0.986 0.787 CB 1.807 144 residues pruned to eliminate duplicates Z: 8 13.046 1.824 0.269 0.867 1.000 0.857 CA 1.558 7 residues pruned to eliminate duplicates Z: 7 10.463 1.861 0.222 0.812 1.000 0.833 CA 1.432 7 residues pruned to eliminate duplicates Z: 31 38.915 2.272 0.714 0.579 1.000 0.667 CB 1.690 31 residues pruned to eliminate duplicates Z: 29 42.010 2.308 0.888 0.620 0.929 0.714 CB 1.751 29 residues pruned to eliminate duplicates Z: 164 114.593 2.424 0.820 0.695 0.933 0.718 CB 1.826 166 residues pruned to eliminate duplicates Z: 6 5.127 1.543 0.810 0.473 0.800 0.400 N 1.054 6 residues pruned to eliminate duplicates Z: 37 41.142 2.394 0.598 0.570 0.944 0.611 CB 1.773 37 residues pruned to eliminate duplicates Z: 41 48.151 2.406 0.662 0.607 0.950 0.525 CB 1.810 41 residues pruned to eliminate duplicates Z: 57 61.502 2.387 0.745 0.616 0.946 0.679 CB 1.868 57 residues pruned to eliminate duplicates Z: 43 47.906 2.377 0.586 0.618 0.952 0.548 CB 1.841 43 residues pruned to eliminate duplicates Z: 44 48.357 2.345 0.680 0.589 0.953 0.512 CB 1.803 44 residues pruned to eliminate duplicates Z: 44 46.843 2.374 0.671 0.574 0.930 0.628 CB 1.802 44 residues pruned to eliminate duplicates Z: 59 62.575 2.422 0.645 0.649 0.948 0.672 CB 1.893 59 residues pruned to eliminate duplicates Z: 59 56.558 2.380 0.605 0.629 0.931 0.586 CB 1.851 59 residues pruned to eliminate duplicates Z: 58 63.062 2.464 0.660 0.661 0.930 0.632 CB 1.892 58 residues pruned to eliminate duplicates Z: 61 60.940 2.401 0.654 0.638 0.933 0.617 CB 1.865 61 residues pruned to eliminate duplicates Z: 29 42.574 2.308 0.742 0.621 1.000 0.714 CB 1.785 29 residues pruned to eliminate duplicates Z: 58 64.282 2.430 0.754 0.650 0.930 0.579 CB 1.867 58 residues pruned to eliminate duplicates Z: 30 40.784 2.288 0.803 0.606 0.931 0.690 CB 1.783 30 residues pruned to eliminate duplicates Z: 29 48.785 2.337 0.863 0.661 1.000 0.750 CB 1.824 29 residues pruned to eliminate duplicates Z: 15 37.886 2.310 0.834 0.949 1.000 0.857 CB 1.649 15 residues pruned to eliminate duplicates Z: 40 41.364 2.287 0.751 0.558 0.923 0.615 CB 1.693 40 residues pruned to eliminate duplicates Z: 184 122.547 2.450 0.774 0.714 0.934 0.721 CB 1.838 184 residues pruned to eliminate duplicates Z: 29 46.145 2.315 0.865 0.653 1.000 0.679 CB 1.751 29 residues pruned to eliminate duplicates Z: 15 40.387 2.319 0.903 0.933 1.000 0.857 CB 1.706 15 residues pruned to eliminate duplicates Z: 31 41.735 2.275 0.928 0.591 0.933 0.633 CB 1.706 31 residues pruned to eliminate duplicates Z: 14 34.824 2.312 0.680 0.947 1.000 0.923 CB 1.719 14 residues pruned to eliminate duplicates Z: 42 46.110 2.333 0.635 0.577 0.951 0.537 CB 1.842 42 residues pruned to eliminate duplicates Z: 147 104.492 2.432 0.743 0.686 0.945 0.719 CB 1.820 147 residues pruned to eliminate duplicates Z: 41 48.670 2.418 0.662 0.597 0.925 0.575 CB 1.888 41 residues pruned to eliminate duplicates Z: 37 40.455 2.389 0.540 0.579 0.944 0.694 CB 1.799 37 residues pruned to eliminate duplicates Z: 38 40.285 2.371 0.571 0.568 0.946 0.622 CB 1.759 38 residues pruned to eliminate duplicates Z: 183 114.580 2.403 0.731 0.695 0.940 0.720 CB 1.819 183 residues pruned to eliminate duplicates Z: 58 63.486 2.439 0.676 0.672 0.947 0.667 CB 1.853 58 residues pruned to eliminate duplicates Z: 41 52.813 2.418 0.665 0.631 0.975 0.625 CB 1.881 41 residues pruned to eliminate duplicates Z: 58 63.423 2.425 0.728 0.666 0.912 0.614 CB 1.885 58 residues pruned to eliminate duplicates Z: 110 86.803 2.386 0.770 0.660 0.945 0.697 CB 1.795 107 residues pruned to eliminate duplicates Z: 11 21.592 2.228 0.460 0.696 1.000 0.500 CA 1.756 11 residues pruned to eliminate duplicates Z: 110 87.346 2.406 0.709 0.677 0.945 0.706 CB 1.830 110 residues pruned to eliminate duplicates Z: 11 19.031 2.115 0.633 0.723 1.000 0.600 CA 1.425 11 residues pruned to eliminate duplicates Z: 22 37.079 2.494 0.455 0.721 0.905 0.762 CB 2.018 22 residues pruned to eliminate duplicates Z: 59 63.965 2.384 0.804 0.630 0.948 0.638 CB 1.822 59 residues pruned to eliminate duplicates Z: 21 42.426 2.340 0.922 0.784 0.950 0.750 CB 1.729 21 residues pruned to eliminate duplicates Z: 58 66.618 2.448 0.723 0.664 0.965 0.702 CB 1.862 59 residues pruned to eliminate duplicates Z: 18 41.880 2.336 0.641 0.920 1.000 0.824 CB 1.865 18 residues pruned to eliminate duplicates Z: 17 46.591 2.525 0.740 0.883 1.000 0.812 CB 1.917 17 residues pruned to eliminate duplicates Z: 18 39.924 2.423 0.763 0.827 0.941 0.882 CB 1.815 18 residues pruned to eliminate duplicates Z: 58 69.560 2.449 0.792 0.649 0.965 0.702 CB 1.893 58 residues pruned to eliminate duplicates Z: 15 45.661 2.488 0.818 0.942 1.000 0.929 CB 1.872 15 residues pruned to eliminate duplicates Z: 59 64.822 2.437 0.802 0.645 0.914 0.707 CB 1.852 59 residues pruned to eliminate duplicates Z: 60 56.467 2.380 0.633 0.621 0.932 0.712 CB 1.810 60 residues pruned to eliminate duplicates Z: 58 66.993 2.456 0.734 0.667 0.947 0.667 CB 1.884 58 residues pruned to eliminate duplicates Z: 58 64.033 2.431 0.732 0.641 0.947 0.667 CB 1.863 58 residues pruned to eliminate duplicates Z: 59 63.488 2.415 0.746 0.652 0.931 0.724 CB 1.843 59 residues pruned to eliminate duplicates Z: 68 72.444 2.412 0.663 0.768 0.970 0.821 CB 1.792 68 residues pruned to eliminate duplicates Z: 147 100.972 2.426 0.696 0.688 0.938 0.712 CB 1.821 147 residues pruned to eliminate duplicates Z: 68 67.704 2.420 0.585 0.754 0.970 0.791 CB 1.772 68 residues pruned to eliminate duplicates Z: 19 38.378 2.511 0.462 0.881 1.000 0.722 CB 1.784 19 residues pruned to eliminate duplicates Z: 72 73.658 2.422 0.673 0.744 0.972 0.746 CB 1.784 72 residues pruned to eliminate duplicates Z: 107 93.119 2.437 0.759 0.733 0.962 0.736 CB 1.778 107 residues pruned to eliminate duplicates Z: 129 97.313 2.436 0.673 0.720 0.961 0.773 CB 1.800 129 residues pruned to eliminate duplicates Z: 143 109.571 2.468 0.701 0.747 0.958 0.754 CB 1.834 143 residues pruned to eliminate duplicates Z: 92 76.488 2.388 0.683 0.697 0.945 0.758 CB 1.764 92 residues pruned to eliminate duplicates Z: 184 120.309 2.454 0.709 0.714 0.951 0.716 CB 1.837 184 residues pruned to eliminate duplicates Z: 67 77.698 2.441 0.777 0.763 0.985 0.833 CB 1.773 67 residues pruned to eliminate duplicates Z: 144 116.920 2.453 0.793 0.752 0.965 0.783 CB 1.840 144 residues pruned to eliminate duplicates Z: 185 127.616 2.447 0.779 0.710 0.967 0.739 CB 1.846 185 residues pruned to eliminate duplicates Z: 143 109.278 2.445 0.765 0.734 0.951 0.789 CB 1.811 143 residues pruned to eliminate duplicates Z: 144 108.991 2.457 0.703 0.744 0.958 0.776 CB 1.828 144 residues pruned to eliminate duplicates Z: 185 120.080 2.439 0.703 0.710 0.967 0.717 CB 1.821 185 residues pruned to eliminate duplicates Z: 125 102.367 2.442 0.768 0.738 0.935 0.774 CB 1.839 125 residues pruned to eliminate duplicates Z: 60 59.318 2.328 0.729 0.683 0.932 0.678 CB 1.739 60 residues pruned to eliminate duplicates Z: 129 106.683 2.431 0.784 0.733 0.961 0.773 CB 1.835 129 residues pruned to eliminate duplicates Z: 128 102.220 2.446 0.714 0.722 0.961 0.772 CB 1.843 128 residues pruned to eliminate duplicates Z: 142 115.130 2.470 0.762 0.756 0.972 0.773 CB 1.826 142 residues pruned to eliminate duplicates Z: 72 84.469 2.437 0.863 0.749 0.986 0.718 CB 1.793 72 residues pruned to eliminate duplicates Z: 184 124.220 2.444 0.794 0.702 0.951 0.760 CB 1.832 184 residues pruned to eliminate duplicates Z: 107 92.638 2.415 0.777 0.729 0.962 0.717 CB 1.773 107 residues pruned to eliminate duplicates Z: 143 110.578 2.453 0.716 0.747 0.979 0.754 CB 1.806 143 residues pruned to eliminate duplicates Z: 183 122.005 2.451 0.712 0.709 0.973 0.747 CB 1.832 183 residues pruned to eliminate duplicates Z: 144 112.942 2.457 0.773 0.746 0.951 0.762 CB 1.829 144 residues pruned to eliminate duplicates Z: 146 107.638 2.454 0.720 0.699 0.966 0.752 CB 1.830 146 residues pruned to eliminate duplicates Z: 16 37.362 2.424 0.581 0.907 1.000 0.933 CB 1.790 16 residues pruned to eliminate duplicates Z: 34 37.035 2.284 0.437 0.728 0.939 0.697 CB 1.703 34 residues pruned to eliminate duplicates Z: 105 103.144 2.454 0.861 0.742 0.990 0.731 CB 1.800 105 residues pruned to eliminate duplicates Z: 69 74.112 2.387 0.808 0.727 0.956 0.765 CB 1.776 69 residues pruned to eliminate duplicates Z: 48 62.187 2.372 0.819 0.760 0.936 0.809 CB 1.783 48 residues pruned to eliminate duplicates Z: 144 109.215 2.447 0.725 0.752 0.958 0.769 CB 1.803 144 residues pruned to eliminate duplicates Z: 145 109.524 2.444 0.668 0.751 0.979 0.812 CB 1.828 145 residues pruned to eliminate duplicates Z: 55 69.979 2.405 0.846 0.717 0.981 0.741 CB 1.797 55 residues pruned to eliminate duplicates Z: 67 71.481 2.394 0.731 0.730 0.955 0.742 CB 1.809 67 residues pruned to eliminate duplicates Z: 39 62.549 2.474 0.901 0.753 0.974 0.868 CB 1.768 39 residues pruned to eliminate duplicates Z: 145 93.727 2.415 0.659 0.681 0.938 0.743 CB 1.761 145 residues pruned to eliminate duplicates Z: 185 122.454 2.437 0.746 0.715 0.957 0.783 CB 1.825 185 residues pruned to eliminate duplicates Z: 107 87.558 2.435 0.719 0.731 0.934 0.774 CB 1.767 107 residues pruned to eliminate duplicates Z: 185 122.609 2.433 0.785 0.688 0.957 0.728 CB 1.832 185 residues pruned to eliminate duplicates Z: 108 88.510 2.441 0.676 0.730 0.953 0.804 CB 1.784 108 residues pruned to eliminate duplicates Z: 142 114.409 2.472 0.755 0.752 0.965 0.837 CB 1.839 142 residues pruned to eliminate duplicates Z: 107 86.610 2.431 0.693 0.733 0.943 0.755 CB 1.756 107 residues pruned to eliminate duplicates Z: 112 92.966 2.411 0.782 0.689 0.964 0.712 CB 1.792 112 residues pruned to eliminate duplicates Z: 143 108.208 2.458 0.688 0.746 0.965 0.782 CB 1.821 143 residues pruned to eliminate duplicates Z: 148 108.769 2.430 0.765 0.696 0.959 0.687 CB 1.824 148 residues pruned to eliminate duplicates Z: 109 86.648 2.405 0.727 0.692 0.954 0.722 CB 1.766 109 residues pruned to eliminate duplicates Z: 143 115.997 2.450 0.810 0.748 0.965 0.796 CB 1.823 143 residues pruned to eliminate duplicates Z: 68 74.758 2.437 0.751 0.761 0.955 0.821 CB 1.776 68 residues pruned to eliminate duplicates Z: 184 128.343 2.444 0.804 0.705 0.973 0.732 CB 1.836 184 residues pruned to eliminate duplicates Z: 108 95.423 2.407 0.796 0.721 0.953 0.720 CB 1.834 108 residues pruned to eliminate duplicates Z: 143 111.659 2.471 0.739 0.747 0.958 0.796 CB 1.826 143 residues pruned to eliminate duplicates Z: 106 97.810 2.439 0.781 0.741 0.981 0.781 CB 1.806 106 residues pruned to eliminate duplicates Z: 183 126.859 2.453 0.774 0.717 0.962 0.742 CB 1.847 183 residues pruned to eliminate duplicates Z: 6 7.712 1.877 0.717 0.529 0.800 0.400 CB 1.299 6 residues pruned to eliminate duplicates Z: 143 117.607 2.454 0.805 0.746 0.979 0.782 CB 1.826 143 residues pruned to eliminate duplicates Z: 96 84.974 2.398 0.691 0.730 0.958 0.768 CB 1.825 96 residues pruned to eliminate duplicates Z: 128 104.109 2.449 0.784 0.727 0.953 0.780 CB 1.809 128 residues pruned to eliminate duplicates Z: 144 118.475 2.455 0.810 0.755 0.972 0.804 CB 1.828 144 residues pruned to eliminate duplicates Z: 106 88.720 2.447 0.699 0.738 0.933 0.790 CB 1.803 106 residues pruned to eliminate duplicates Z: 131 103.035 2.409 0.832 0.701 0.946 0.708 CB 1.803 131 residues pruned to eliminate duplicates Z: 98 81.254 2.360 0.677 0.713 0.959 0.773 CB 1.793 98 residues pruned to eliminate duplicates Z: 142 119.069 2.460 0.819 0.760 0.972 0.823 CB 1.830 142 residues pruned to eliminate duplicates Z: 106 94.400 2.430 0.777 0.731 0.971 0.771 CB 1.785 106 residues pruned to eliminate duplicates Z: 143 116.530 2.411 0.900 0.730 0.958 0.718 CB 1.811 143 residues pruned to eliminate duplicates Z: 109 93.018 2.418 0.854 0.706 0.926 0.759 CB 1.788 109 residues pruned to eliminate duplicates Z: 128 105.838 2.446 0.794 0.727 0.953 0.787 CB 1.831 128 residues pruned to eliminate duplicates Z: 106 92.095 2.438 0.732 0.728 0.981 0.733 CB 1.768 106 residues pruned to eliminate duplicates Z: 78 76.731 2.398 0.732 0.709 0.961 0.740 CB 1.812 78 residues pruned to eliminate duplicates Z: 146 109.783 2.443 0.741 0.741 0.959 0.793 CB 1.802 146 residues pruned to eliminate duplicates Z: 144 114.141 2.445 0.785 0.752 0.958 0.790 CB 1.824 144 residues pruned to eliminate duplicates Z: 74 80.935 2.456 0.769 0.740 0.945 0.767 CB 1.860 74 residues pruned to eliminate duplicates Z: 146 108.562 2.446 0.729 0.700 0.972 0.738 CB 1.828 146 residues pruned to eliminate duplicates Z: 74 77.687 2.452 0.715 0.735 0.932 0.740 CB 1.880 74 residues pruned to eliminate duplicates Z: 128 101.852 2.443 0.775 0.719 0.937 0.772 CB 1.825 128 residues pruned to eliminate duplicates Z: 144 112.170 2.449 0.772 0.735 0.965 0.776 CB 1.813 144 residues pruned to eliminate duplicates Z: 107 90.924 2.434 0.732 0.734 0.953 0.792 CB 1.782 107 residues pruned to eliminate duplicates Z: 63 82.880 2.495 0.851 0.761 0.968 0.790 CB 1.868 63 residues pruned to eliminate duplicates Z: 147 110.084 2.427 0.809 0.689 0.959 0.733 CB 1.820 147 residues pruned to eliminate duplicates Z: 148 105.381 2.432 0.734 0.686 0.959 0.748 CB 1.812 148 residues pruned to eliminate duplicates Z: 70 65.385 2.364 0.611 0.715 0.971 0.710 CB 1.752 70 residues pruned to eliminate duplicates Z: 63 88.646 2.487 0.968 0.776 0.952 0.806 CB 1.894 63 residues pruned to eliminate duplicates Z: 94 79.581 2.394 0.766 0.675 0.925 0.688 CB 1.796 94 residues pruned to eliminate duplicates Z: 108 93.711 2.396 0.829 0.723 0.963 0.720 CB 1.755 108 residues pruned to eliminate duplicates Z: 143 118.083 2.465 0.811 0.753 0.972 0.810 CB 1.824 143 residues pruned to eliminate duplicates Z: 144 113.230 2.450 0.773 0.749 0.965 0.818 CB 1.809 144 residues pruned to eliminate duplicates Z: 183 131.901 2.444 0.858 0.700 0.973 0.753 CB 1.844 183 residues pruned to eliminate duplicates Z: 143 111.108 2.442 0.782 0.747 0.958 0.810 CB 1.795 143 residues pruned to eliminate duplicates Z: 154 106.428 2.400 0.720 0.720 0.961 0.778 CB 1.779 154 residues pruned to eliminate duplicates Z: 140 108.601 2.426 0.816 0.728 0.950 0.791 CB 1.793 140 residues pruned to eliminate duplicates Z: 75 84.941 2.438 0.836 0.744 0.959 0.770 CB 1.848 75 residues pruned to eliminate duplicates Z: 124 110.362 2.437 0.832 0.757 0.976 0.797 CB 1.817 124 residues pruned to eliminate duplicates Z: 173 122.146 2.466 0.745 0.712 0.971 0.721 CB 1.838 173 residues pruned to eliminate duplicates Z: 142 116.064 2.468 0.786 0.753 0.972 0.780 CB 1.822 142 residues pruned to eliminate duplicates Z: 142 117.982 2.469 0.809 0.761 0.972 0.823 CB 1.816 142 residues pruned to eliminate duplicates Z: 184 126.948 2.449 0.790 0.707 0.962 0.754 CB 1.845 184 residues pruned to eliminate duplicates Z: 184 128.622 2.435 0.860 0.699 0.956 0.749 CB 1.831 184 residues pruned to eliminate duplicates Z: 38 72.672 2.448 1.006 0.798 0.973 0.757 CB 1.927 38 residues pruned to eliminate duplicates Z: 39 72.751 2.462 1.001 0.784 0.974 0.842 CB 1.916 39 residues pruned to eliminate duplicates Z: 143 120.716 2.469 0.858 0.756 0.958 0.768 CB 1.835 143 residues pruned to eliminate duplicates Z: 40 67.082 2.419 0.956 0.742 0.949 0.846 CB 1.927 40 residues pruned to eliminate duplicates Z: 133 117.917 2.461 0.892 0.761 0.962 0.780 CB 1.816 133 residues pruned to eliminate duplicates Z: 184 127.223 2.448 0.819 0.714 0.956 0.678 CB 1.819 184 residues pruned to eliminate duplicates Z: 142 124.047 2.467 0.882 0.760 0.979 0.773 CB 1.825 143 residues pruned to eliminate duplicates Z: 27 78.605 2.416 1.396 0.903 1.000 0.731 CB 1.899 27 residues pruned to eliminate duplicates Z: 126 105.840 2.436 0.811 0.723 0.968 0.808 CB 1.813 126 residues pruned to eliminate duplicates Z: 117 116.155 2.462 0.979 0.740 0.983 0.741 CB 1.816 117 residues pruned to eliminate duplicates Z: 142 119.734 2.459 0.843 0.757 0.965 0.738 CB 1.835 142 residues pruned to eliminate duplicates Z: 144 117.117 2.464 0.817 0.745 0.965 0.783 CB 1.821 144 residues pruned to eliminate duplicates Z: 39 75.276 2.440 1.103 0.782 0.974 0.789 CB 1.907 39 residues pruned to eliminate duplicates Z: 185 127.748 2.434 0.849 0.697 0.962 0.755 CB 1.818 185 residues pruned to eliminate duplicates Z: 38 79.028 2.489 1.147 0.802 0.973 0.865 CB 1.920 38 residues pruned to eliminate duplicates Z: 170 125.894 2.429 0.860 0.725 0.964 0.716 CB 1.814 170 residues pruned to eliminate duplicates Z: 143 118.504 2.451 0.865 0.752 0.951 0.739 CB 1.827 143 residues pruned to eliminate duplicates Z: 74 88.397 2.469 0.860 0.747 0.973 0.767 CB 1.857 74 residues pruned to eliminate duplicates Z: 75 92.144 2.472 0.913 0.747 0.973 0.716 CB 1.867 75 residues pruned to eliminate duplicates Z: 74 92.414 2.461 0.923 0.757 0.973 0.753 CB 1.870 74 residues pruned to eliminate duplicates Z: 144 119.310 2.457 0.836 0.752 0.965 0.783 CB 1.831 144 residues pruned to eliminate duplicates Z: 40 65.992 2.382 0.968 0.776 0.923 0.821 CB 1.915 40 residues pruned to eliminate duplicates Z: 39 74.540 2.450 1.137 0.789 0.921 0.816 CB 1.946 39 residues pruned to eliminate duplicates Z: 79 88.489 2.448 0.928 0.732 0.936 0.654 CB 1.841 79 residues pruned to eliminate duplicates Z: 75 89.411 2.438 0.884 0.743 0.986 0.757 CB 1.846 75 residues pruned to eliminate duplicates Z: 146 112.639 2.433 0.811 0.737 0.959 0.759 CB 1.791 146 residues pruned to eliminate duplicates Z: 143 118.371 2.455 0.826 0.749 0.979 0.782 CB 1.812 143 residues pruned to eliminate duplicates Z: 159 116.398 2.441 0.792 0.723 0.949 0.722 CB 1.823 159 residues pruned to eliminate duplicates Z: 143 117.094 2.456 0.839 0.752 0.958 0.782 CB 1.815 143 residues pruned to eliminate duplicates Z: 64 68.745 2.318 0.836 0.704 0.952 0.714 CB 1.775 38 residues pruned to eliminate duplicates 367 residues left after pruning, divided into chains as follows: A: 91 B: 92 C: 184 CC for partial structure against native data = 42.45 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.498, Connect. = 0.811 for dens.mod. cycle 1 = 0.300, Contrast = 0.552, Connect. = 0.823 for dens.mod. cycle 2 = 0.300, Contrast = 0.682, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.692, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.705, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.711, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.718, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.721, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.725, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.728, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2598 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 600 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 20 53.099 2.327 0.915 0.926 1.000 0.895 CA 1.917 B: 19 45.117 2.504 0.632 0.930 0.944 0.889 CB 1.927 C: 27 68.526 2.460 1.003 0.890 1.000 0.769 CB 1.962 20 residues pruned to eliminate duplicates D: 17 40.960 2.419 0.613 0.923 0.938 0.875 C 1.968 E: 27 59.606 2.473 0.980 0.905 0.923 0.885 CB 1.840 19 residues pruned to eliminate duplicates F: 17 42.625 2.474 0.694 0.924 1.000 0.875 CB 1.785 G: 16 37.081 2.313 0.730 0.932 1.000 0.933 CB 1.670 H: 17 43.568 2.471 0.607 0.939 1.000 0.812 CA 1.907 17 residues pruned to eliminate duplicates I: 18 54.316 2.482 1.073 0.939 0.941 0.824 CB 1.890 18 residues pruned to eliminate duplicates J: 14 39.046 2.353 0.757 0.928 1.000 1.000 CB 1.834 K: 19 39.109 2.303 0.898 0.902 0.944 0.889 CB 1.592 L: 18 45.074 2.370 0.842 0.923 1.000 0.882 CB 1.760 18 residues pruned to eliminate duplicates M: 26 78.804 2.526 1.127 0.935 1.000 0.920 CB 2.044 27 residues pruned to eliminate duplicates N: 18 39.983 2.389 0.666 0.885 1.000 0.882 CB 1.758 19 residues pruned to eliminate duplicates O: 18 55.920 2.476 1.002 0.939 1.000 0.824 CB 1.902 18 residues pruned to eliminate duplicates P: 26 68.040 2.521 0.879 0.943 1.000 1.000 CB 1.991 26 residues pruned to eliminate duplicates Q: 27 73.415 2.437 1.257 0.932 0.962 0.731 CB 1.902 27 residues pruned to eliminate duplicates R: 26 82.179 2.510 1.245 0.937 1.000 0.800 CB 2.029 26 residues pruned to eliminate duplicates S: 18 36.274 2.414 0.600 0.909 0.882 0.882 CB 1.833 18 residues pruned to eliminate duplicates T: 28 62.476 2.434 1.099 0.880 0.963 0.852 CB 1.771 27 residues pruned to eliminate duplicates U: 18 37.226 2.341 0.677 0.853 0.941 0.882 CA 1.806 18 residues pruned to eliminate duplicates V: 18 43.520 2.432 0.727 0.922 1.000 0.882 CB 1.767 18 residues pruned to eliminate duplicates W: 27 57.849 2.476 0.910 0.918 0.923 0.846 CB 1.833 27 residues pruned to eliminate duplicates X: 17 35.764 2.353 0.452 0.884 1.000 0.875 CA 1.891 17 residues pruned to eliminate duplicates Y: 15 29.642 2.368 0.459 0.909 0.929 0.857 CB 1.753 14 residues pruned to eliminate duplicates Z: 15 28.397 2.239 0.415 0.945 1.000 0.929 CB 1.658 15 residues pruned to eliminate duplicates Z: 18 41.117 2.390 0.563 0.928 1.000 0.941 CB 1.870 18 residues pruned to eliminate duplicates Z: 18 43.062 2.433 0.582 0.947 1.000 1.000 CB 1.875 Z: 14 34.780 2.365 0.549 0.922 1.000 0.923 CB 1.852 14 residues pruned to eliminate duplicates Z: 18 39.780 2.380 0.747 0.868 1.000 0.941 CB 1.697 18 residues pruned to eliminate duplicates Z: 18 48.127 2.332 1.148 0.889 1.000 0.882 CB 1.679 Z: 17 45.961 2.519 0.598 0.946 1.000 1.000 CB 1.975 17 residues pruned to eliminate duplicates Z: 16 21.461 2.250 0.350 0.824 0.800 0.667 CB 1.723 16 residues pruned to eliminate duplicates Z: 27 71.229 2.429 1.196 0.933 0.962 0.846 CB 1.900 27 residues pruned to eliminate duplicates Z: 27 51.272 2.484 0.698 0.897 0.923 0.846 CB 1.850 27 residues pruned to eliminate duplicates Z: 17 38.784 2.454 0.492 0.935 1.000 0.875 CA 1.845 17 residues pruned to eliminate duplicates Z: 27 67.169 2.489 1.134 0.923 0.962 0.731 CB 1.813 28 residues pruned to eliminate duplicates Z: 16 36.523 2.365 0.539 0.898 1.000 0.933 CB 1.853 16 residues pruned to eliminate duplicates Z: 18 44.630 2.389 0.921 0.928 1.000 0.941 CB 1.652 18 residues pruned to eliminate duplicates Z: 18 45.030 2.432 0.614 0.889 1.000 0.941 CB 2.003 18 residues pruned to eliminate duplicates Z: 18 48.167 2.388 0.725 0.950 1.000 1.000 CB 1.956 18 residues pruned to eliminate duplicates Z: 27 57.791 2.461 0.792 0.921 1.000 0.923 CB 1.809 27 residues pruned to eliminate duplicates Z: 27 69.368 2.472 1.201 0.911 0.962 0.692 CB 1.843 27 residues pruned to eliminate duplicates Z: 26 81.698 2.500 1.291 0.935 1.000 0.840 CB 1.988 26 residues pruned to eliminate duplicates Z: 18 48.175 2.315 1.055 0.887 0.941 0.882 CA 1.881 Z: 17 41.090 2.523 0.613 0.920 0.938 0.875 CB 1.895 17 residues pruned to eliminate duplicates Z: 18 54.192 2.466 0.856 0.948 1.000 1.000 CB 1.983 18 residues pruned to eliminate duplicates Z: 15 36.424 2.349 0.668 0.927 1.000 0.857 CB 1.741 15 residues pruned to eliminate duplicates Z: 16 39.116 2.372 0.665 0.944 1.000 1.000 CB 1.772 16 residues pruned to eliminate duplicates Z: 23 42.268 2.378 0.554 0.854 0.955 0.818 CB 1.886 23 residues pruned to eliminate duplicates Z: 19 41.305 2.444 0.609 0.886 0.944 0.889 CB 1.891 19 residues pruned to eliminate duplicates Z: 17 41.347 2.464 0.579 0.926 1.000 0.938 CA 1.863 17 residues pruned to eliminate duplicates Z: 26 83.818 2.548 1.245 0.931 1.000 0.880 CB 2.048 26 residues pruned to eliminate duplicates Z: 16 56.753 2.517 1.264 0.930 0.933 0.733 CB 1.926 16 residues pruned to eliminate duplicates Z: 27 63.492 2.452 0.907 0.932 0.962 0.923 CB 1.934 27 residues pruned to eliminate duplicates Z: 18 45.403 2.515 0.699 0.939 0.941 0.941 CB 1.902 18 residues pruned to eliminate duplicates Z: 18 38.539 2.398 0.731 0.882 0.941 0.824 CB 1.732 18 residues pruned to eliminate duplicates Z: 18 50.298 2.408 0.823 0.952 1.000 0.941 CB 1.914 18 residues pruned to eliminate duplicates Z: 18 54.216 2.368 1.008 0.926 1.000 1.000 CA 1.940 18 residues pruned to eliminate duplicates Z: 11 17.558 2.168 0.319 0.711 0.900 0.500 CA 1.780 Z: 16 30.718 2.280 0.547 0.905 0.933 0.933 CB 1.714 16 residues pruned to eliminate duplicates Z: 27 51.653 2.436 0.648 0.899 0.962 0.846 CB 1.875 27 residues pruned to eliminate duplicates Z: 17 46.817 2.424 0.964 0.917 1.000 1.000 CB 1.734 18 residues pruned to eliminate duplicates Z: 11 23.565 2.122 0.706 0.803 0.900 0.700 CA 1.755 Z: 12 13.315 2.125 0.239 0.684 0.818 0.364 CA 1.574 Z: 26 73.074 2.510 1.026 0.926 1.000 0.840 CB 2.015 26 residues pruned to eliminate duplicates Z: 18 41.254 2.398 0.517 0.942 1.000 0.941 CB 1.907 18 residues pruned to eliminate duplicates Z: 18 29.741 2.371 0.500 0.902 0.882 0.882 CB 1.639 18 residues pruned to eliminate duplicates Z: 11 24.306 2.161 0.625 0.869 0.900 0.700 C 1.777 11 residues pruned to eliminate duplicates Z: 18 35.958 2.375 0.578 0.922 1.000 1.000 CB 1.637 18 residues pruned to eliminate duplicates Z: 27 57.732 2.465 0.880 0.921 0.962 0.962 CB 1.789 27 residues pruned to eliminate duplicates Z: 17 41.161 2.443 0.744 0.917 1.000 0.938 CB 1.705 17 residues pruned to eliminate duplicates Z: 27 54.749 2.463 0.835 0.906 0.923 0.808 CB 1.830 27 residues pruned to eliminate duplicates Z: 17 48.676 2.413 0.898 0.929 1.000 1.000 CA 1.859 17 residues pruned to eliminate duplicates Z: 12 17.571 2.096 0.231 0.789 1.000 0.727 C 1.592 12 residues pruned to eliminate duplicates Z: 10 16.399 2.320 0.188 0.755 0.889 0.444 CA 1.778 10 residues pruned to eliminate duplicates Z: 18 43.093 2.411 0.584 0.928 1.000 0.941 CB 1.917 18 residues pruned to eliminate duplicates Z: 18 40.307 2.386 0.875 0.902 1.000 0.941 CB 1.558 18 residues pruned to eliminate duplicates Z: 16 41.247 2.386 0.679 0.912 1.000 0.867 CB 1.883 16 residues pruned to eliminate duplicates Z: 17 35.611 2.315 0.535 0.916 1.000 1.000 CB 1.770 Z: 18 29.269 2.319 0.565 0.888 0.941 0.882 CB 1.497 18 residues pruned to eliminate duplicates Z: 17 46.353 2.466 0.644 0.920 1.000 0.938 CB 2.013 18 residues pruned to eliminate duplicates Z: 27 62.995 2.416 1.000 0.904 0.962 0.846 CB 1.893 27 residues pruned to eliminate duplicates Z: 17 43.692 2.453 0.952 0.924 0.938 0.938 CB 1.708 17 residues pruned to eliminate duplicates Z: 18 42.685 2.390 0.791 0.893 1.000 0.706 CB 1.736 18 residues pruned to eliminate duplicates Z: 27 52.686 2.465 0.713 0.892 0.962 0.808 CB 1.828 27 residues pruned to eliminate duplicates Z: 18 47.519 2.393 0.823 0.936 0.941 0.824 CB 1.956 18 residues pruned to eliminate duplicates Z: 20 45.916 2.346 0.831 0.909 1.000 0.947 CB 1.740 20 residues pruned to eliminate duplicates Z: 17 41.252 2.262 0.971 0.923 0.938 0.875 CB 1.734 17 residues pruned to eliminate duplicates Z: 18 39.934 2.345 0.655 0.908 1.000 0.941 CB 1.771 18 residues pruned to eliminate duplicates Z: 17 35.818 2.294 0.507 0.908 1.000 0.938 CB 1.839 17 residues pruned to eliminate duplicates Z: 19 32.835 2.267 0.478 0.919 1.000 0.944 CB 1.629 19 residues pruned to eliminate duplicates Z: 18 42.889 2.413 0.606 0.912 0.941 0.882 CB 2.021 18 residues pruned to eliminate duplicates Z: 15 37.196 2.370 0.590 0.939 1.000 0.857 CB 1.833 15 residues pruned to eliminate duplicates Z: 19 43.913 2.286 0.785 0.911 1.000 0.889 CA 1.798 19 residues pruned to eliminate duplicates Z: 18 46.277 2.329 1.074 0.905 1.000 1.000 CB 1.653 17 residues pruned to eliminate duplicates Z: 18 52.307 2.399 0.840 0.924 1.000 0.941 CB 2.019 17 residues pruned to eliminate duplicates Z: 12 19.919 2.279 0.207 0.883 1.000 0.727 CB 1.578 Z: 16 45.451 2.406 0.843 0.926 1.000 0.867 CA 1.856 16 residues pruned to eliminate duplicates Z: 18 33.467 2.350 0.475 0.873 1.000 0.882 CB 1.705 18 residues pruned to eliminate duplicates Z: 16 50.358 2.385 1.086 0.957 1.000 0.933 CB 1.794 16 residues pruned to eliminate duplicates Z: 11 24.703 2.287 0.417 0.888 0.900 0.900 C 1.930 11 residues pruned to eliminate duplicates Z: 26 75.435 2.557 1.229 0.924 0.960 0.760 CB 1.936 27 residues pruned to eliminate duplicates Z: 16 33.640 2.396 0.401 0.925 1.000 0.933 CB 1.816 16 residues pruned to eliminate duplicates Z: 18 47.026 2.401 1.137 0.888 0.882 0.824 CB 1.816 17 residues pruned to eliminate duplicates Z: 18 46.554 2.366 0.939 0.910 1.000 0.941 CB 1.745 18 residues pruned to eliminate duplicates Z: 18 42.680 2.379 0.631 0.901 1.000 0.941 CB 1.905 18 residues pruned to eliminate duplicates Z: 17 32.017 2.284 0.544 0.911 1.000 1.000 CB 1.608 17 residues pruned to eliminate duplicates Z: 18 49.226 2.497 0.872 0.919 0.941 0.882 CB 1.913 18 residues pruned to eliminate duplicates Z: 17 39.397 2.466 0.644 0.919 1.000 1.000 CB 1.712 17 residues pruned to eliminate duplicates Z: 18 47.938 2.428 0.718 0.945 0.941 0.941 CB 2.049 18 residues pruned to eliminate duplicates Z: 17 41.886 2.546 0.551 0.936 0.938 0.938 CB 1.969 17 residues pruned to eliminate duplicates Z: 27 57.229 2.504 0.851 0.894 0.962 0.885 CB 1.807 27 residues pruned to eliminate duplicates Z: 18 44.550 2.399 0.558 0.926 1.000 0.941 CA 2.027 18 residues pruned to eliminate duplicates Z: 18 50.144 2.298 1.048 0.916 1.000 0.941 CA 1.824 18 residues pruned to eliminate duplicates Z: 27 70.228 2.443 1.423 0.882 0.923 0.654 CB 1.824 27 residues pruned to eliminate duplicates Z: 18 38.239 2.380 0.643 0.912 0.941 0.941 CB 1.786 18 residues pruned to eliminate duplicates Z: 11 26.018 2.184 0.494 0.899 1.000 0.800 C 1.802 11 residues pruned to eliminate duplicates Z: 8 12.350 1.679 0.506 0.780 1.000 0.429 C 1.442 7 residues pruned to eliminate duplicates Z: 18 42.233 2.388 0.629 0.906 1.000 0.882 CB 1.874 18 residues pruned to eliminate duplicates Z: 26 83.363 2.546 1.340 0.911 0.960 0.800 CB 2.066 26 residues pruned to eliminate duplicates Z: 18 42.354 2.375 0.769 0.923 1.000 1.000 CB 1.718 18 residues pruned to eliminate duplicates Z: 12 23.651 2.073 0.435 0.902 1.000 0.909 C 1.709 12 residues pruned to eliminate duplicates Z: 17 49.461 2.492 0.703 0.954 1.000 0.938 CB 2.003 17 residues pruned to eliminate duplicates Z: 16 35.967 2.314 0.570 0.904 1.000 0.933 CB 1.821 15 residues pruned to eliminate duplicates Z: 27 63.455 2.434 1.031 0.943 0.962 0.808 CB 1.815 27 residues pruned to eliminate duplicates Z: 17 36.930 2.244 0.574 0.921 1.000 1.000 CB 1.839 17 residues pruned to eliminate duplicates Z: 18 47.484 2.405 0.823 0.932 1.000 0.941 CB 1.835 18 residues pruned to eliminate duplicates Z: 18 43.434 2.403 0.726 0.923 0.941 0.941 CB 1.896 18 residues pruned to eliminate duplicates Z: 6 9.045 2.058 0.163 0.681 1.000 0.600 CA 1.432 Z: 17 38.370 2.326 0.602 0.936 1.000 0.938 CA 1.792 17 residues pruned to eliminate duplicates Z: 15 29.126 2.287 0.432 0.898 0.929 0.857 CB 1.831 15 residues pruned to eliminate duplicates Z: 15 30.286 2.362 0.399 0.908 1.000 1.000 CB 1.740 15 residues pruned to eliminate duplicates Z: 17 41.367 2.373 0.736 0.927 1.000 0.875 CA 1.760 17 residues pruned to eliminate duplicates Z: 14 35.289 2.380 0.602 0.945 1.000 1.000 CB 1.776 14 residues pruned to eliminate duplicates Z: 19 36.413 2.286 0.505 0.904 0.944 0.944 CB 1.881 19 residues pruned to eliminate duplicates Z: 18 40.942 2.406 0.708 0.911 1.000 0.941 CB 1.713 18 residues pruned to eliminate duplicates Z: 27 70.710 2.461 1.096 0.921 0.962 0.846 CB 1.968 27 residues pruned to eliminate duplicates Z: 11 25.227 2.208 0.405 0.928 1.000 1.000 C 1.800 11 residues pruned to eliminate duplicates Z: 18 36.603 2.398 0.497 0.895 1.000 0.824 CB 1.773 18 residues pruned to eliminate duplicates Z: 16 39.594 2.396 0.581 0.923 1.000 1.000 CB 1.895 16 residues pruned to eliminate duplicates Z: 27 56.412 2.397 0.863 0.896 0.962 0.731 CB 1.845 27 residues pruned to eliminate duplicates Z: 18 40.535 2.407 0.602 0.904 1.000 0.882 CB 1.816 18 residues pruned to eliminate duplicates Z: 18 38.556 2.382 0.598 0.919 1.000 1.000 CB 1.731 18 residues pruned to eliminate duplicates Z: 18 45.065 2.370 0.681 0.936 1.000 0.882 CB 1.910 18 residues pruned to eliminate duplicates Z: 17 39.118 2.424 0.506 0.909 1.000 0.938 CB 1.902 17 residues pruned to eliminate duplicates Z: 17 44.574 2.361 0.840 0.926 0.938 0.812 CB 1.919 17 residues pruned to eliminate duplicates Z: 19 41.478 2.282 0.661 0.904 1.000 0.889 CB 1.837 19 residues pruned to eliminate duplicates Z: 12 20.241 2.288 0.190 0.900 1.000 0.818 CB 1.602 12 residues pruned to eliminate duplicates Z: 18 46.896 2.440 0.806 0.888 1.000 0.882 CB 1.860 18 residues pruned to eliminate duplicates Z: 18 51.936 2.342 1.069 0.922 1.000 0.706 CA 1.828 17 residues pruned to eliminate duplicates Z: 26 81.776 2.522 1.204 0.936 1.000 0.720 CB 2.049 26 residues pruned to eliminate duplicates Z: 12 22.042 2.292 0.256 0.871 1.000 0.727 CB 1.684 12 residues pruned to eliminate duplicates Z: 18 40.871 2.384 0.680 0.929 1.000 0.941 CB 1.732 18 residues pruned to eliminate duplicates Z: 10 18.389 2.169 0.231 0.916 1.000 0.889 CA 1.621 Z: 18 53.629 2.381 0.986 0.950 1.000 0.882 C 1.897 18 residues pruned to eliminate duplicates Z: 18 27.200 2.204 0.527 0.874 0.941 0.882 CB 1.515 18 residues pruned to eliminate duplicates Z: 7 10.424 2.075 0.009 0.823 1.000 0.667 CA 1.536 Z: 10 20.270 2.147 0.377 0.924 1.000 1.000 CA 1.606 10 residues pruned to eliminate duplicates Z: 28 67.723 2.438 1.284 0.882 0.963 0.852 CB 1.759 28 residues pruned to eliminate duplicates Z: 11 13.590 2.003 0.083 0.908 1.000 1.000 CA 1.407 10 residues pruned to eliminate duplicates Z: 11 19.192 2.284 0.274 0.883 1.000 1.000 CB 1.508 Z: 16 40.538 2.368 0.660 0.904 1.000 0.800 CB 1.897 16 residues pruned to eliminate duplicates Z: 16 31.670 2.340 0.355 0.924 1.000 0.867 CB 1.812 16 residues pruned to eliminate duplicates Z: 7 12.817 1.917 0.471 0.809 1.000 0.500 CA 1.418 7 residues pruned to eliminate duplicates Z: 26 78.383 2.516 1.261 0.946 0.960 0.880 CB 1.985 26 residues pruned to eliminate duplicates Z: 27 71.770 2.417 1.246 0.930 0.962 0.846 CB 1.886 27 residues pruned to eliminate duplicates Z: 16 30.194 2.377 0.487 0.876 0.933 0.933 CB 1.718 16 residues pruned to eliminate duplicates Z: 18 34.143 2.404 0.332 0.923 0.941 0.941 CB 1.931 18 residues pruned to eliminate duplicates Z: 16 19.431 1.931 0.288 0.866 1.000 0.600 CB 1.476 Z: 16 29.312 2.381 0.274 0.938 1.000 1.000 CB 1.735 16 residues pruned to eliminate duplicates Z: 26 41.663 2.297 0.510 0.888 0.960 0.880 CB 1.803 26 residues pruned to eliminate duplicates Z: 28 57.714 2.413 0.922 0.897 0.963 0.852 CB 1.780 27 residues pruned to eliminate duplicates Z: 22 43.467 2.458 0.531 0.811 0.952 0.810 CA 2.018 22 residues pruned to eliminate duplicates Z: 10 22.534 2.101 0.586 0.917 1.000 0.778 CA 1.591 11 residues pruned to eliminate duplicates Z: 12 25.158 2.045 0.641 0.911 0.909 0.727 CA 1.762 11 residues pruned to eliminate duplicates Z: 19 41.922 2.222 1.162 0.924 1.000 0.833 CB 1.444 19 residues pruned to eliminate duplicates Z: 27 55.229 2.419 0.657 0.924 1.000 0.962 CB 1.899 27 residues pruned to eliminate duplicates Z: 94 89.697 2.419 0.754 0.742 0.968 0.731 CB 1.825 81 residues pruned to eliminate duplicates Z: 18 51.372 2.466 0.969 0.902 0.941 0.941 CB 1.944 18 residues pruned to eliminate duplicates Z: 18 41.606 2.391 0.617 0.916 1.000 0.824 CA 1.843 18 residues pruned to eliminate duplicates Z: 19 45.118 2.263 0.819 0.938 1.000 0.944 CA 1.796 19 residues pruned to eliminate duplicates Z: 14 23.287 2.160 0.288 0.927 1.000 0.692 CB 1.627 16 residues pruned to eliminate duplicates Z: 12 25.389 2.104 0.506 0.925 1.000 1.000 C 1.695 12 residues pruned to eliminate duplicates Z: 18 43.496 2.377 0.658 0.924 1.000 0.882 CB 1.880 18 residues pruned to eliminate duplicates Z: 10 20.162 2.192 0.302 0.914 1.000 0.778 CA 1.665 10 residues pruned to eliminate duplicates Z: 19 38.819 2.406 0.612 0.917 0.944 0.833 CB 1.763 19 residues pruned to eliminate duplicates Z: 6 5.605 1.942 -0.079 0.708 1.000 0.400 CB 1.160 Z: 6 12.052 2.267 -0.026 0.874 1.000 0.800 CA 1.776 7 residues pruned to eliminate duplicates Z: 19 45.518 2.375 0.783 0.918 0.944 0.889 CB 1.892 19 residues pruned to eliminate duplicates Z: 13 21.505 2.196 0.224 0.933 1.000 0.750 CB 1.611 13 residues pruned to eliminate duplicates Z: 15 41.852 2.375 0.807 0.939 1.000 0.929 CB 1.812 16 residues pruned to eliminate duplicates Z: 12 15.416 2.157 -0.026 0.761 1.000 0.818 C 1.755 12 residues pruned to eliminate duplicates Z: 16 37.300 2.384 0.564 0.912 1.000 0.933 CB 1.829 17 residues pruned to eliminate duplicates Z: 18 46.606 2.334 0.946 0.925 0.941 0.765 C 1.856 18 residues pruned to eliminate duplicates Z: 10 30.931 2.363 0.659 0.927 1.000 1.000 CB 1.842 10 residues pruned to eliminate duplicates Z: 19 51.003 2.413 1.050 0.909 0.944 0.722 CB 1.826 19 residues pruned to eliminate duplicates Z: 12 21.003 2.241 0.334 0.915 1.000 0.727 CB 1.497 12 residues pruned to eliminate duplicates Z: 27 65.652 2.433 1.167 0.919 0.962 0.885 CB 1.791 27 residues pruned to eliminate duplicates Z: 79 71.455 2.387 0.637 0.691 0.923 0.718 CB 1.883 76 residues pruned to eliminate duplicates Z: 12 24.134 2.337 0.539 0.860 0.909 0.818 CB 1.637 12 residues pruned to eliminate duplicates Z: 17 42.802 2.329 0.768 0.923 1.000 0.875 CB 1.826 16 residues pruned to eliminate duplicates Z: 12 24.225 2.353 0.404 0.845 1.000 0.727 CB 1.643 12 residues pruned to eliminate duplicates Z: 27 66.630 2.437 1.169 0.927 0.923 0.885 CB 1.877 27 residues pruned to eliminate duplicates Z: 16 44.104 2.489 0.734 0.936 1.000 0.933 CB 1.837 16 residues pruned to eliminate duplicates Z: 12 13.718 2.075 0.229 0.701 0.818 0.636 CA 1.650 11 residues pruned to eliminate duplicates Z: 15 40.030 2.377 0.767 0.916 1.000 0.786 CB 1.799 15 residues pruned to eliminate duplicates Z: 16 42.709 2.393 0.732 0.899 1.000 0.733 CB 1.903 17 residues pruned to eliminate duplicates Z: 26 69.478 2.558 1.105 0.923 0.960 0.880 CB 1.889 26 residues pruned to eliminate duplicates Z: 19 47.472 2.297 0.814 0.940 1.000 0.889 CB 1.864 19 residues pruned to eliminate duplicates Z: 27 54.768 2.434 0.683 0.927 1.000 0.731 CB 1.838 27 residues pruned to eliminate duplicates Z: 11 24.989 2.176 0.476 0.902 1.000 0.900 C 1.755 11 residues pruned to eliminate duplicates Z: 27 61.869 2.434 1.011 0.912 0.962 0.808 CB 1.826 27 residues pruned to eliminate duplicates Z: 27 70.555 2.391 1.315 0.942 0.962 0.923 CB 1.803 27 residues pruned to eliminate duplicates Z: 10 14.917 2.197 0.182 0.669 1.000 0.333 C 1.639 10 residues pruned to eliminate duplicates Z: 12 25.239 2.093 0.553 0.919 1.000 1.000 C 1.650 12 residues pruned to eliminate duplicates Z: 9 14.545 2.270 0.009 0.901 0.875 0.875 CA 1.833 9 residues pruned to eliminate duplicates Z: 128 105.971 2.437 0.798 0.725 0.953 0.748 CB 1.838 119 residues pruned to eliminate duplicates Z: 6 9.764 2.095 -0.162 0.866 1.000 0.800 CA 1.821 6 residues pruned to eliminate duplicates Z: 18 38.476 2.316 0.974 0.881 0.941 0.765 CB 1.571 18 residues pruned to eliminate duplicates Z: 19 44.460 2.302 0.894 0.870 1.000 0.667 CB 1.754 19 residues pruned to eliminate duplicates Z: 140 116.174 2.423 0.811 0.735 0.978 0.763 CB 1.859 139 residues pruned to eliminate duplicates Z: 15 16.476 2.103 -0.049 0.914 1.000 0.857 CB 1.557 15 residues pruned to eliminate duplicates Z: 15 23.118 2.056 0.284 0.937 1.000 0.857 CB 1.629 14 residues pruned to eliminate duplicates Z: 18 40.657 2.382 0.610 0.913 1.000 0.765 CB 1.820 18 residues pruned to eliminate duplicates Z: 17 54.548 2.450 1.167 0.931 1.000 0.875 CB 1.795 17 residues pruned to eliminate duplicates Z: 11 21.303 2.142 0.533 0.876 1.000 0.700 C 1.492 11 residues pruned to eliminate duplicates Z: 12 21.709 2.121 0.490 0.899 1.000 0.909 CB 1.481 12 residues pruned to eliminate duplicates Z: 7 10.463 1.941 -0.016 0.836 1.000 0.667 CA 1.673 7 residues pruned to eliminate duplicates Z: 15 43.465 2.306 0.933 0.899 1.000 0.857 CB 1.863 14 residues pruned to eliminate duplicates Z: 9 20.126 2.135 0.608 0.874 0.875 0.500 C 1.724 9 residues pruned to eliminate duplicates Z: 144 109.851 2.442 0.697 0.736 0.965 0.734 CB 1.858 144 residues pruned to eliminate duplicates Z: 17 36.381 2.320 0.513 0.922 1.000 0.938 CB 1.822 17 residues pruned to eliminate duplicates Z: 17 35.049 2.282 0.538 0.945 1.000 1.000 CA 1.727 17 residues pruned to eliminate duplicates Z: 18 38.712 2.360 0.552 0.927 1.000 1.000 CB 1.797 18 residues pruned to eliminate duplicates Z: 11 17.418 2.236 0.202 0.866 1.000 0.800 CB 1.501 11 residues pruned to eliminate duplicates Z: 18 49.364 2.379 1.004 0.924 1.000 0.824 CB 1.764 18 residues pruned to eliminate duplicates Z: 13 23.967 2.173 0.533 0.838 1.000 0.833 CB 1.553 13 residues pruned to eliminate duplicates Z: 8 11.841 1.955 0.061 0.854 1.000 0.857 CA 1.594 8 residues pruned to eliminate duplicates Z: 145 113.544 2.418 0.776 0.741 0.965 0.743 CB 1.839 146 residues pruned to eliminate duplicates Z: 16 22.997 1.956 0.446 0.889 1.000 0.600 CB 1.511 16 residues pruned to eliminate duplicates Z: 18 44.398 2.400 0.869 0.902 1.000 0.882 CB 1.712 18 residues pruned to eliminate duplicates Z: 11 10.605 2.131 0.540 0.272 1.000 0.500 CB 1.324 Z: 11 24.069 2.260 0.350 0.896 1.000 0.800 CB 1.786 11 residues pruned to eliminate duplicates Z: 11 15.925 2.106 0.257 0.743 0.900 0.700 C 1.701 12 residues pruned to eliminate duplicates Z: 12 19.896 2.209 0.282 0.871 1.000 0.727 CB 1.546 12 residues pruned to eliminate duplicates Z: 18 38.815 2.322 0.573 0.915 1.000 0.882 CB 1.821 18 residues pruned to eliminate duplicates Z: 17 42.780 2.397 0.787 0.923 1.000 0.875 CA 1.755 17 residues pruned to eliminate duplicates Z: 15 38.044 2.340 0.730 0.924 1.000 0.857 CB 1.763 15 residues pruned to eliminate duplicates Z: 12 29.581 2.346 0.662 0.868 1.000 0.909 CB 1.672 12 residues pruned to eliminate duplicates Z: 12 27.043 2.336 0.520 0.882 1.000 0.727 CB 1.661 12 residues pruned to eliminate duplicates Z: 29 41.116 2.305 0.631 0.652 0.964 0.679 CB 1.860 16 residues pruned to eliminate duplicates Z: 12 15.437 2.085 0.397 0.697 0.818 0.364 CA 1.632 12 residues pruned to eliminate duplicates Z: 12 26.873 2.301 0.588 0.896 1.000 0.909 CB 1.588 12 residues pruned to eliminate duplicates Z: 12 27.497 2.241 0.519 0.887 1.000 0.818 CB 1.756 12 residues pruned to eliminate duplicates Z: 10 17.258 2.187 0.318 0.857 0.889 0.556 C 1.654 10 residues pruned to eliminate duplicates Z: 14 17.897 2.122 0.025 0.938 1.000 0.846 CB 1.587 14 residues pruned to eliminate duplicates Z: 15 20.306 2.052 0.219 0.900 1.000 0.857 CB 1.550 15 residues pruned to eliminate duplicates Z: 12 18.169 2.072 0.483 0.869 0.909 0.727 CB 1.433 12 residues pruned to eliminate duplicates Z: 11 21.277 2.230 0.462 0.882 1.000 0.800 CB 1.494 11 residues pruned to eliminate duplicates Z: 15 16.612 2.128 0.347 0.594 0.857 0.643 CB 1.652 15 residues pruned to eliminate duplicates Z: 8 13.997 2.432 0.274 0.697 0.857 0.571 CA 1.664 8 residues pruned to eliminate duplicates Z: 7 7.171 1.797 0.061 0.848 0.833 0.500 CA 1.367 7 residues pruned to eliminate duplicates Z: 18 40.877 2.381 0.733 0.892 0.941 0.882 CB 1.835 18 residues pruned to eliminate duplicates Z: 16 22.921 2.015 0.459 0.866 0.933 0.733 CA 1.580 15 residues pruned to eliminate duplicates Z: 16 38.637 2.360 0.571 0.916 1.000 0.933 CB 1.900 16 residues pruned to eliminate duplicates Z: 15 24.752 2.064 0.399 0.898 1.000 0.714 CB 1.639 16 residues pruned to eliminate duplicates Z: 15 42.171 2.228 0.956 0.916 1.000 0.786 CB 1.826 15 residues pruned to eliminate duplicates Z: 56 57.030 2.389 0.639 0.652 0.909 0.673 CB 1.875 56 residues pruned to eliminate duplicates Z: 17 35.420 2.259 0.535 0.932 1.000 0.875 CB 1.784 17 residues pruned to eliminate duplicates Z: 18 35.988 2.360 0.628 0.907 1.000 0.941 CB 1.615 18 residues pruned to eliminate duplicates Z: 12 21.073 2.306 0.266 0.869 1.000 0.818 CB 1.590 12 residues pruned to eliminate duplicates Z: 11 22.610 2.185 0.478 0.784 1.000 0.800 C 1.724 11 residues pruned to eliminate duplicates Z: 58 47.377 2.269 0.498 0.660 0.947 0.702 CB 1.680 53 residues pruned to eliminate duplicates Z: 19 32.711 2.263 0.530 0.919 1.000 0.833 CB 1.569 19 residues pruned to eliminate duplicates Z: 15 44.187 2.450 0.734 0.936 1.000 1.000 CB 1.934 15 residues pruned to eliminate duplicates Z: 16 24.268 2.040 0.529 0.882 0.933 0.733 CB 1.557 16 residues pruned to eliminate duplicates Z: 30 25.732 2.143 0.373 0.621 0.966 0.655 CB 1.500 30 residues pruned to eliminate duplicates Z: 92 81.961 2.393 0.750 0.709 0.945 0.747 CB 1.795 92 residues pruned to eliminate duplicates Z: 17 41.180 2.339 0.684 0.931 1.000 1.000 CA 1.827 17 residues pruned to eliminate duplicates Z: 7 4.157 1.908 0.080 0.451 0.667 0.500 CA 1.299 7 residues pruned to eliminate duplicates Z: 17 39.127 2.340 0.602 0.919 1.000 0.812 CB 1.839 17 residues pruned to eliminate duplicates Z: 8 7.274 1.811 0.082 0.835 0.857 0.714 CA 1.227 8 residues pruned to eliminate duplicates Z: 18 36.623 2.358 0.682 0.889 1.000 0.765 CB 1.613 18 residues pruned to eliminate duplicates Z: 6 8.244 1.944 -0.135 0.841 1.000 1.000 CA 1.635 6 residues pruned to eliminate duplicates Z: 12 18.552 2.077 0.387 0.889 1.000 0.636 CB 1.397 12 residues pruned to eliminate duplicates Z: 27 65.675 2.475 1.212 0.901 0.923 0.769 CB 1.818 27 residues pruned to eliminate duplicates Z: 19 43.663 2.285 0.829 0.920 1.000 0.833 CA 1.734 19 residues pruned to eliminate duplicates Z: 12 17.825 2.008 0.267 0.867 1.000 0.909 C 1.545 12 residues pruned to eliminate duplicates Z: 143 118.449 2.435 0.843 0.759 0.972 0.746 CB 1.810 143 residues pruned to eliminate duplicates Z: 7 7.348 1.825 -0.128 0.841 1.000 0.833 CA 1.406 7 residues pruned to eliminate duplicates Z: 11 22.056 2.404 0.127 0.916 1.000 0.900 CB 1.819 11 residues pruned to eliminate duplicates Z: 6 11.526 2.097 0.003 0.849 1.000 0.800 CA 1.817 6 residues pruned to eliminate duplicates Z: 11 16.029 2.107 0.513 0.710 0.800 0.400 CA 1.642 11 residues pruned to eliminate duplicates Z: 38 40.448 2.379 0.605 0.564 0.946 0.568 CB 1.731 38 residues pruned to eliminate duplicates Z: 16 56.428 2.461 1.140 0.928 1.000 0.800 C 1.937 16 residues pruned to eliminate duplicates Z: 148 97.883 2.421 0.647 0.683 0.925 0.721 CB 1.850 148 residues pruned to eliminate duplicates Z: 16 28.918 2.414 0.226 0.919 1.000 0.867 CB 1.777 16 residues pruned to eliminate duplicates Z: 11 24.300 2.015 0.736 0.927 1.000 0.700 C 1.539 11 residues pruned to eliminate duplicates Z: 17 62.765 2.511 1.260 0.933 0.938 0.875 CB 2.058 17 residues pruned to eliminate duplicates Z: 16 25.482 2.060 0.418 0.897 1.000 0.667 CB 1.612 16 residues pruned to eliminate duplicates Z: 11 16.539 2.089 0.367 0.775 0.900 0.700 C 1.595 11 residues pruned to eliminate duplicates Z: 27 62.259 2.455 1.071 0.921 0.962 0.731 CB 1.758 27 residues pruned to eliminate duplicates Z: 18 35.841 2.258 0.711 0.927 0.941 0.765 CB 1.675 18 residues pruned to eliminate duplicates Z: 14 23.544 2.022 0.673 0.791 1.000 0.769 CB 1.496 14 residues pruned to eliminate duplicates Z: 12 25.394 2.244 0.567 0.867 1.000 0.818 CB 1.594 12 residues pruned to eliminate duplicates Z: 12 9.122 1.665 0.457 0.731 0.727 0.545 CA 1.267 12 residues pruned to eliminate duplicates Z: 6 11.724 2.089 0.512 0.743 0.800 0.800 CA 1.669 6 residues pruned to eliminate duplicates Z: 14 40.176 2.348 0.839 0.935 1.000 0.846 CB 1.799 14 residues pruned to eliminate duplicates Z: 26 60.917 2.484 0.761 0.934 1.000 0.960 CB 1.941 26 residues pruned to eliminate duplicates Z: 28 46.600 2.304 0.860 0.639 1.000 0.704 CB 1.838 28 residues pruned to eliminate duplicates Z: 8 7.268 1.779 0.081 0.683 0.857 0.714 CB 1.410 7 residues pruned to eliminate duplicates Z: 27 59.573 2.461 0.946 0.938 0.923 0.885 CB 1.837 27 residues pruned to eliminate duplicates Z: 11 24.494 2.430 0.484 0.842 0.900 0.800 CB 1.778 11 residues pruned to eliminate duplicates Z: 57 54.414 2.378 0.580 0.687 0.929 0.714 CB 1.756 57 residues pruned to eliminate duplicates Z: 16 32.791 2.339 0.474 0.925 1.000 0.933 CB 1.724 16 residues pruned to eliminate duplicates Z: 11 18.398 2.050 0.401 0.827 0.900 0.500 CB 1.696 11 residues pruned to eliminate duplicates Z: 56 57.627 2.394 0.599 0.658 0.945 0.636 CB 1.855 56 residues pruned to eliminate duplicates Z: 17 51.422 2.375 1.018 0.889 1.000 0.875 CB 1.932 17 residues pruned to eliminate duplicates Z: 18 42.067 2.435 0.750 0.905 0.941 0.824 CB 1.811 18 residues pruned to eliminate duplicates Z: 30 41.286 2.329 0.698 0.649 0.931 0.759 CB 1.812 30 residues pruned to eliminate duplicates Z: 57 48.654 2.269 0.520 0.645 0.964 0.625 CB 1.708 57 residues pruned to eliminate duplicates Z: 11 22.798 2.184 0.398 0.896 1.000 0.900 C 1.691 11 residues pruned to eliminate duplicates Z: 184 113.733 2.384 0.703 0.698 0.956 0.694 CB 1.807 184 residues pruned to eliminate duplicates Z: 12 15.895 2.053 0.048 0.879 1.000 0.909 CA 1.616 12 residues pruned to eliminate duplicates Z: 6 3.384 1.980 -0.256 0.531 0.800 0.600 CB 1.245 6 residues pruned to eliminate duplicates Z: 32 34.382 2.231 0.817 0.512 0.903 0.548 CB 1.667 32 residues pruned to eliminate duplicates Z: 184 120.522 2.430 0.737 0.706 0.962 0.699 CB 1.820 184 residues pruned to eliminate duplicates Z: 142 109.335 2.431 0.698 0.750 0.972 0.759 CB 1.837 142 residues pruned to eliminate duplicates Z: 15 42.840 2.328 0.864 0.943 1.000 0.929 CB 1.829 15 residues pruned to eliminate duplicates Z: 32 37.847 2.283 0.626 0.630 0.903 0.581 CB 1.794 32 residues pruned to eliminate duplicates Z: 138 102.722 2.412 0.739 0.726 0.949 0.737 CB 1.798 138 residues pruned to eliminate duplicates Z: 13 29.594 2.398 0.456 0.890 0.917 0.667 CA 1.921 13 residues pruned to eliminate duplicates Z: 13 6.099 1.776 0.229 0.302 0.750 0.417 CA 1.341 13 residues pruned to eliminate duplicates Z: 17 39.156 2.419 0.688 0.921 1.000 0.938 CB 1.686 17 residues pruned to eliminate duplicates Z: 15 15.890 2.052 0.002 0.931 0.929 0.786 CB 1.554 15 residues pruned to eliminate duplicates Z: 31 36.011 2.244 0.553 0.613 0.967 0.667 CB 1.754 31 residues pruned to eliminate duplicates Z: 17 49.073 2.395 0.840 0.939 1.000 0.875 CB 1.935 17 residues pruned to eliminate duplicates Z: 16 41.214 2.378 0.758 0.936 1.000 1.000 CB 1.773 16 residues pruned to eliminate duplicates Z: 18 33.716 2.401 0.366 0.855 1.000 0.882 CB 1.840 18 residues pruned to eliminate duplicates Z: 17 19.221 1.909 0.286 0.887 1.000 0.688 CB 1.411 17 residues pruned to eliminate duplicates Z: 8 12.040 1.897 0.203 0.677 1.000 0.714 CA 1.694 8 residues pruned to eliminate duplicates Z: 12 30.580 2.218 0.834 0.920 0.909 0.545 CA 1.756 12 residues pruned to eliminate duplicates Z: 16 36.485 2.523 0.406 0.921 1.000 1.000 CB 1.869 16 residues pruned to eliminate duplicates Z: 143 114.089 2.454 0.810 0.741 0.951 0.732 CB 1.826 143 residues pruned to eliminate duplicates Z: 18 35.572 2.324 0.546 0.932 1.000 1.000 CB 1.677 18 residues pruned to eliminate duplicates Z: 18 41.862 2.224 0.783 0.908 1.000 0.882 CA 1.818 18 residues pruned to eliminate duplicates Z: 18 32.606 2.198 0.527 0.874 1.000 0.941 C 1.715 18 residues pruned to eliminate duplicates Z: 10 13.490 1.953 0.348 0.787 0.889 0.667 C 1.493 10 residues pruned to eliminate duplicates Z: 12 24.255 2.319 0.423 0.858 1.000 0.727 CB 1.632 12 residues pruned to eliminate duplicates Z: 73 52.483 2.252 0.463 0.648 0.972 0.625 CB 1.682 73 residues pruned to eliminate duplicates Z: 8 8.695 1.735 0.208 0.874 0.857 0.714 N 1.332 7 residues pruned to eliminate duplicates Z: 42 55.594 2.390 0.684 0.772 0.976 0.805 CB 1.739 42 residues pruned to eliminate duplicates Z: 11 16.985 1.829 0.504 0.820 1.000 0.500 C 1.479 11 residues pruned to eliminate duplicates Z: 9 12.844 2.107 0.377 0.821 0.750 0.625 CB 1.580 9 residues pruned to eliminate duplicates Z: 57 46.204 2.251 0.472 0.652 0.946 0.714 CB 1.709 57 residues pruned to eliminate duplicates Z: 17 48.547 2.419 1.012 0.885 0.938 0.812 CA 1.921 17 residues pruned to eliminate duplicates Z: 113 93.236 2.382 0.755 0.703 0.964 0.696 CB 1.817 113 residues pruned to eliminate duplicates Z: 11 14.997 1.971 0.254 0.780 1.000 0.700 C 1.499 11 residues pruned to eliminate duplicates Z: 93 78.101 2.373 0.699 0.682 0.946 0.728 CB 1.807 93 residues pruned to eliminate duplicates Z: 16 24.528 2.064 0.333 0.903 1.000 0.867 CB 1.640 16 residues pruned to eliminate duplicates Z: 180 117.064 2.414 0.736 0.688 0.966 0.726 CB 1.818 180 residues pruned to eliminate duplicates Z: 16 44.267 2.385 0.785 0.906 1.000 0.800 CB 1.910 16 residues pruned to eliminate duplicates Z: 19 33.390 2.188 0.581 0.897 1.000 0.944 CB 1.628 19 residues pruned to eliminate duplicates Z: 12 17.773 2.224 0.543 0.882 0.818 0.727 CB 1.381 12 residues pruned to eliminate duplicates Z: 16 39.208 2.408 0.543 0.914 1.000 1.000 CB 1.928 16 residues pruned to eliminate duplicates Z: 26 78.299 2.522 1.233 0.918 0.960 0.760 CB 2.042 26 residues pruned to eliminate duplicates Z: 27 68.101 2.344 1.276 0.920 0.962 0.731 CB 1.833 27 residues pruned to eliminate duplicates Z: 11 24.089 2.153 0.623 0.792 1.000 0.500 C 1.686 11 residues pruned to eliminate duplicates Z: 13 16.497 2.014 0.305 0.836 1.000 0.833 CB 1.356 13 residues pruned to eliminate duplicates Z: 17 41.046 2.342 0.625 0.919 1.000 1.000 CA 1.900 17 residues pruned to eliminate duplicates Z: 16 43.941 2.384 0.804 0.927 1.000 1.000 CB 1.849 16 residues pruned to eliminate duplicates Z: 12 25.323 2.251 0.666 0.874 1.000 0.909 CB 1.481 12 residues pruned to eliminate duplicates Z: 16 31.794 2.369 0.291 0.923 1.000 1.000 CB 1.887 16 residues pruned to eliminate duplicates Z: 26 82.290 2.511 1.219 0.930 1.000 0.840 CB 2.065 26 residues pruned to eliminate duplicates Z: 78 79.757 2.457 0.680 0.737 0.961 0.727 CB 1.852 78 residues pruned to eliminate duplicates Z: 42 31.955 2.209 0.400 0.636 0.902 0.585 CB 1.575 42 residues pruned to eliminate duplicates Z: 10 18.173 2.178 0.427 0.788 0.889 0.444 C 1.702 10 residues pruned to eliminate duplicates Z: 24 39.667 2.332 0.706 0.744 0.957 0.739 CB 1.747 24 residues pruned to eliminate duplicates Z: 12 17.616 2.163 0.307 0.709 0.909 0.909 CA 1.708 12 residues pruned to eliminate duplicates Z: 8 14.288 2.161 0.340 0.859 0.857 0.857 CB 1.601 8 residues pruned to eliminate duplicates Z: 14 43.789 2.389 0.933 0.940 1.000 0.923 CB 1.826 14 residues pruned to eliminate duplicates Z: 11 21.450 2.142 0.458 0.815 1.000 0.600 C 1.651 11 residues pruned to eliminate duplicates Z: 128 101.824 2.420 0.711 0.724 0.961 0.764 CB 1.857 128 residues pruned to eliminate duplicates Z: 34 37.042 2.229 0.614 0.601 0.970 0.667 CB 1.679 34 residues pruned to eliminate duplicates Z: 15 29.341 2.352 0.804 0.893 0.857 0.786 CB 1.548 15 residues pruned to eliminate duplicates Z: 6 9.606 2.061 0.092 0.768 1.000 0.800 CA 1.505 6 residues pruned to eliminate duplicates Z: 11 21.591 2.215 0.523 0.860 1.000 0.900 CB 1.488 11 residues pruned to eliminate duplicates Z: 37 40.760 2.409 0.535 0.592 0.944 0.667 CB 1.782 37 residues pruned to eliminate duplicates Z: 44 43.698 2.324 0.626 0.582 0.884 0.628 CB 1.844 44 residues pruned to eliminate duplicates Z: 11 19.258 2.256 0.339 0.853 1.000 0.700 CB 1.490 11 residues pruned to eliminate duplicates Z: 38 51.102 2.459 0.457 0.792 0.946 0.784 CB 1.918 38 residues pruned to eliminate duplicates Z: 12 23.579 2.523 0.461 0.601 0.909 0.545 CA 1.926 12 residues pruned to eliminate duplicates Z: 16 47.120 2.281 1.091 0.947 1.000 1.000 C 1.763 16 residues pruned to eliminate duplicates Z: 73 77.686 2.419 0.777 0.715 0.944 0.667 CB 1.856 73 residues pruned to eliminate duplicates Z: 91 91.277 2.399 0.857 0.732 0.978 0.656 CB 1.794 91 residues pruned to eliminate duplicates Z: 11 13.228 1.934 0.223 0.870 1.000 0.700 CB 1.291 11 residues pruned to eliminate duplicates Z: 6 11.140 2.053 0.081 0.871 1.000 0.800 CB 1.638 6 residues pruned to eliminate duplicates Z: 18 47.686 2.375 0.846 0.935 0.941 0.882 C 1.954 18 residues pruned to eliminate duplicates Z: 15 9.303 1.868 0.137 0.548 0.786 0.643 C 1.422 15 residues pruned to eliminate duplicates Z: 16 22.172 2.078 0.471 0.647 1.000 0.667 CB 1.633 16 residues pruned to eliminate duplicates Z: 139 104.553 2.398 0.758 0.726 0.949 0.739 CB 1.814 139 residues pruned to eliminate duplicates Z: 12 15.742 2.004 0.390 0.836 0.909 0.727 CB 1.403 12 residues pruned to eliminate duplicates Z: 15 17.427 2.237 0.448 0.436 1.000 0.571 CB 1.537 15 residues pruned to eliminate duplicates Z: 16 39.520 2.346 0.573 0.913 1.000 0.933 CB 1.957 16 residues pruned to eliminate duplicates Z: 10 7.024 1.964 0.235 0.442 0.889 0.333 CB 1.152 10 residues pruned to eliminate duplicates Z: 18 45.185 2.380 0.851 0.911 1.000 0.824 CB 1.763 18 residues pruned to eliminate duplicates Z: 11 23.354 2.090 0.678 0.858 0.900 0.800 CB 1.723 11 residues pruned to eliminate duplicates Z: 18 45.503 2.320 0.883 0.938 1.000 1.000 CB 1.757 18 residues pruned to eliminate duplicates Z: 18 40.811 2.352 0.699 0.900 0.941 0.882 CA 1.880 18 residues pruned to eliminate duplicates Z: 7 13.388 2.112 0.381 0.887 1.000 0.833 CB 1.352 7 residues pruned to eliminate duplicates Z: 106 92.948 2.423 0.755 0.735 0.971 0.752 CB 1.778 106 residues pruned to eliminate duplicates Z: 62 61.378 2.333 0.613 0.677 0.967 0.721 CB 1.834 62 residues pruned to eliminate duplicates Z: 17 43.167 2.473 0.580 0.954 1.000 1.000 CB 1.899 17 residues pruned to eliminate duplicates Z: 42 37.633 2.254 0.508 0.591 0.951 0.537 CB 1.666 42 residues pruned to eliminate duplicates Z: 38 35.703 2.315 0.677 0.526 0.838 0.568 CB 1.759 38 residues pruned to eliminate duplicates Z: 16 24.446 1.948 0.743 0.900 0.867 0.800 C 1.532 16 residues pruned to eliminate duplicates Z: 18 37.182 2.402 0.612 0.906 0.941 0.824 CA 1.759 18 residues pruned to eliminate duplicates Z: 42 43.800 2.317 0.589 0.610 0.902 0.610 CB 1.855 42 residues pruned to eliminate duplicates Z: 88 91.313 2.423 0.780 0.752 0.977 0.736 CB 1.856 88 residues pruned to eliminate duplicates Z: 7 12.872 2.003 0.391 0.888 1.000 0.833 CB 1.359 7 residues pruned to eliminate duplicates Z: 6 7.317 2.031 0.118 0.798 0.800 0.600 CA 1.388 6 residues pruned to eliminate duplicates Z: 35 51.952 2.364 0.725 0.738 1.000 0.794 CB 1.765 35 residues pruned to eliminate duplicates Z: 82 72.871 2.363 0.702 0.705 0.963 0.728 CB 1.735 82 residues pruned to eliminate duplicates Z: 16 61.775 2.561 1.000 0.950 1.000 0.867 C 2.147 16 residues pruned to eliminate duplicates Z: 37 42.680 2.344 0.655 0.591 0.944 0.694 CB 1.780 37 residues pruned to eliminate duplicates Z: 157 110.533 2.453 0.684 0.709 0.949 0.744 CB 1.868 157 residues pruned to eliminate duplicates Z: 8 10.986 1.751 0.564 0.772 1.000 0.857 CB 1.191 8 residues pruned to eliminate duplicates Z: 13 12.348 2.011 0.196 0.605 0.833 0.667 N 1.609 13 residues pruned to eliminate duplicates Z: 55 66.619 2.418 0.642 0.745 0.963 0.685 CB 1.904 55 residues pruned to eliminate duplicates Z: 14 19.951 2.133 0.877 0.471 0.846 0.692 CA 1.683 14 residues pruned to eliminate duplicates Z: 9 12.191 2.049 0.413 0.587 1.000 0.625 CB 1.370 9 residues pruned to eliminate duplicates Z: 41 58.366 2.412 0.767 0.759 0.975 0.825 CB 1.764 41 residues pruned to eliminate duplicates Z: 17 37.288 2.261 0.659 0.905 1.000 0.875 CB 1.769 17 residues pruned to eliminate duplicates Z: 16 27.536 1.936 0.810 0.910 0.933 0.667 CB 1.541 16 residues pruned to eliminate duplicates Z: 41 26.302 2.139 0.360 0.535 0.925 0.625 CB 1.492 41 residues pruned to eliminate duplicates Z: 91 92.011 2.397 0.813 0.743 0.967 0.733 CB 1.858 91 residues pruned to eliminate duplicates Z: 14 27.247 2.244 0.468 0.900 1.000 0.923 CB 1.638 14 residues pruned to eliminate duplicates Z: 13 29.848 2.394 0.374 0.930 1.000 0.917 CB 1.832 13 residues pruned to eliminate duplicates Z: 10 17.736 2.141 0.334 0.917 0.889 0.778 CA 1.642 10 residues pruned to eliminate duplicates Z: 28 35.723 2.296 0.422 0.690 0.963 0.630 CA 1.838 28 residues pruned to eliminate duplicates Z: 11 27.655 2.188 0.607 0.893 1.000 0.700 C 1.786 11 residues pruned to eliminate duplicates Z: 28 51.393 2.344 0.797 0.794 1.000 0.815 CB 1.815 28 residues pruned to eliminate duplicates Z: 17 35.976 2.231 0.639 0.929 1.000 1.000 CB 1.721 17 residues pruned to eliminate duplicates Z: 19 33.092 2.280 0.573 0.817 1.000 0.944 CB 1.652 19 residues pruned to eliminate duplicates Z: 6 3.788 1.301 0.205 0.864 1.000 0.800 C 0.792 Z: 42 54.422 2.429 0.764 0.576 0.951 0.537 CB 1.939 42 residues pruned to eliminate duplicates Z: 7 10.128 1.878 0.439 0.869 0.833 0.667 C 1.341 7 residues pruned to eliminate duplicates Z: 161 112.463 2.433 0.789 0.687 0.950 0.681 CB 1.810 161 residues pruned to eliminate duplicates Z: 14 13.467 1.808 0.469 0.724 0.923 0.615 CB 1.244 14 residues pruned to eliminate duplicates Z: 75 79.320 2.371 0.851 0.701 0.986 0.662 CB 1.773 75 residues pruned to eliminate duplicates Z: 12 17.503 2.046 0.410 0.868 1.000 0.636 CB 1.336 12 residues pruned to eliminate duplicates Z: 9 10.193 2.308 -0.138 0.631 0.875 0.625 CA 1.829 9 residues pruned to eliminate duplicates Z: 15 19.353 2.297 0.405 0.422 1.000 0.571 CB 1.739 15 residues pruned to eliminate duplicates Z: 13 25.660 2.238 0.358 0.920 1.000 1.000 CB 1.717 13 residues pruned to eliminate duplicates Z: 20 26.604 2.233 0.494 0.595 0.947 0.632 CB 1.764 20 residues pruned to eliminate duplicates Z: 26 79.269 2.478 1.197 0.940 1.000 0.920 CB 2.022 26 residues pruned to eliminate duplicates Z: 22 24.785 2.176 0.540 0.476 0.952 0.571 CB 1.736 22 residues pruned to eliminate duplicates Z: 31 43.601 2.421 0.614 0.688 0.933 0.633 CB 1.838 31 residues pruned to eliminate duplicates Z: 10 22.680 2.126 0.526 0.858 1.000 0.889 CB 1.716 10 residues pruned to eliminate duplicates Z: 6 7.814 1.953 0.048 0.802 1.000 0.800 CA 1.311 6 residues pruned to eliminate duplicates Z: 15 31.630 2.354 0.412 0.932 1.000 0.929 CB 1.776 15 residues pruned to eliminate duplicates Z: 9 8.415 2.134 0.175 0.425 0.875 0.500 CB 1.466 9 residues pruned to eliminate duplicates Z: 24 61.256 2.379 1.270 0.806 0.957 0.783 CB 1.893 24 residues pruned to eliminate duplicates Z: 6 2.037 1.551 -0.179 0.385 0.800 0.600 C 1.011 Z: 9 2.379 1.513 0.542 0.092 0.625 0.500 CB 0.974 9 residues pruned to eliminate duplicates Z: 6 3.410 1.702 0.095 0.439 0.800 0.600 CB 1.089 6 residues pruned to eliminate duplicates Z: 8 12.668 1.817 0.541 0.864 1.000 0.714 C 1.253 8 residues pruned to eliminate duplicates Z: 15 28.006 2.347 0.287 0.926 1.000 1.000 CB 1.738 15 residues pruned to eliminate duplicates Z: 7 3.393 1.354 0.302 0.430 1.000 0.667 CB 0.845 Z: 127 115.290 2.456 0.855 0.752 0.976 0.810 CB 1.844 127 residues pruned to eliminate duplicates Z: 35 37.696 2.269 0.472 0.661 0.912 0.765 CB 1.829 35 residues pruned to eliminate duplicates Z: 99 87.946 2.440 0.723 0.696 0.969 0.765 CB 1.822 99 residues pruned to eliminate duplicates Z: 16 36.399 2.329 0.653 0.865 1.000 0.600 CA 1.789 16 residues pruned to eliminate duplicates Z: 29 39.360 2.304 0.665 0.619 0.964 0.643 CB 1.798 29 residues pruned to eliminate duplicates Z: 11 17.853 2.150 0.350 0.862 1.000 0.600 CB 1.428 11 residues pruned to eliminate duplicates Z: 11 20.750 2.209 0.488 0.897 1.000 0.900 CB 1.429 11 residues pruned to eliminate duplicates Z: 36 48.708 2.244 0.694 0.736 0.943 0.771 CB 1.859 36 residues pruned to eliminate duplicates Z: 41 60.986 2.460 0.804 0.762 0.975 0.800 CB 1.765 41 residues pruned to eliminate duplicates Z: 20 45.184 2.478 0.671 0.875 0.947 0.895 CB 1.922 20 residues pruned to eliminate duplicates Z: 6 7.004 1.608 0.477 0.803 0.800 0.600 CB 1.265 6 residues pruned to eliminate duplicates Z: 48 69.090 2.446 0.825 0.761 0.979 0.851 CB 1.829 48 residues pruned to eliminate duplicates Z: 9 14.279 1.826 0.402 0.860 1.000 0.500 CA 1.451 9 residues pruned to eliminate duplicates Z: 8 8.719 2.191 0.353 0.691 0.857 0.571 CB 1.089 8 residues pruned to eliminate duplicates Z: 65 63.646 2.332 0.776 0.698 0.922 0.672 CB 1.738 65 residues pruned to eliminate duplicates Z: 68 69.641 2.377 0.836 0.653 0.910 0.687 CB 1.858 68 residues pruned to eliminate duplicates Z: 15 14.233 2.079 0.687 0.297 0.786 0.500 C 1.732 15 residues pruned to eliminate duplicates Z: 18 15.565 2.229 0.400 0.414 1.000 0.588 CB 1.324 18 residues pruned to eliminate duplicates Z: 35 53.018 2.337 0.780 0.748 0.971 0.735 CB 1.803 35 residues pruned to eliminate duplicates Z: 15 19.057 2.139 0.399 0.605 0.929 0.643 CA 1.658 15 residues pruned to eliminate duplicates Z: 16 40.327 2.301 0.950 0.871 0.933 0.867 CA 1.813 16 residues pruned to eliminate duplicates Z: 66 65.436 2.403 0.692 0.614 0.969 0.677 CB 1.848 66 residues pruned to eliminate duplicates Z: 42 30.562 2.159 0.359 0.617 0.927 0.585 CB 1.572 42 residues pruned to eliminate duplicates 6 1.272 1.267 -0.018 0.427 0.800 0.800 CA 0.616 ? Z: 8 19.424 2.446 0.272 0.767 1.000 1.000 CA 1.862 8 residues pruned to eliminate duplicates Z: 10 30.913 2.307 0.767 0.879 1.000 0.889 CB 1.832 10 residues pruned to eliminate duplicates Z: 19 42.339 2.458 0.684 0.850 1.000 0.778 CB 1.785 19 residues pruned to eliminate duplicates Z: 96 84.648 2.401 0.633 0.724 0.979 0.726 CB 1.847 96 residues pruned to eliminate duplicates Z: 6 13.607 1.991 0.629 0.740 1.000 1.000 CA 1.513 6 residues pruned to eliminate duplicates Z: 16 48.682 2.197 1.230 0.941 1.000 0.600 C 1.781 16 residues pruned to eliminate duplicates Z: 36 53.266 2.369 0.737 0.729 0.971 0.657 CB 1.833 36 residues pruned to eliminate duplicates Z: 16 31.992 2.382 0.324 0.906 1.000 0.867 CB 1.863 16 residues pruned to eliminate duplicates Z: 6 18.883 2.366 0.843 0.674 1.000 1.000 CA 1.650 6 residues pruned to eliminate duplicates Z: 124 93.700 2.413 0.711 0.718 0.951 0.715 CB 1.766 124 residues pruned to eliminate duplicates Z: 10 9.882 1.886 -0.013 0.764 0.889 0.778 C 1.574 10 residues pruned to eliminate duplicates Z: 43 72.202 2.468 0.988 0.719 1.000 0.738 CB 1.862 43 residues pruned to eliminate duplicates Z: 101 88.344 2.387 0.736 0.701 0.980 0.770 CB 1.812 101 residues pruned to eliminate duplicates Z: 12 38.427 2.501 0.801 0.839 1.000 0.818 CA 1.921 12 residues pruned to eliminate duplicates Z: 42 45.393 2.344 0.671 0.563 0.951 0.610 CB 1.791 42 residues pruned to eliminate duplicates Z: 12 14.162 2.218 0.549 0.379 0.909 0.727 CB 1.555 12 residues pruned to eliminate duplicates Z: 16 17.423 2.191 0.533 0.407 0.867 0.333 CA 1.705 16 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 10.115 1.915 0.837 0.454 1.000 0.800 CA 1.348 6 residues pruned to eliminate duplicates Z: 6 5.129 1.908 0.613 0.437 1.000 0.400 CB 0.795 6 residues pruned to eliminate duplicates Z: 44 33.147 2.224 0.370 0.604 0.930 0.605 CB 1.615 44 residues pruned to eliminate duplicates Z: 58 45.800 2.256 0.479 0.653 0.930 0.632 CB 1.696 58 residues pruned to eliminate duplicates Z: 58 49.120 2.237 0.541 0.640 0.965 0.632 CB 1.716 58 residues pruned to eliminate duplicates Z: 59 46.172 2.261 0.452 0.640 0.966 0.655 CB 1.678 59 residues pruned to eliminate duplicates Z: 30 28.101 2.113 0.404 0.656 0.966 0.586 CB 1.576 30 residues pruned to eliminate duplicates Z: 48 34.087 2.193 0.445 0.563 0.936 0.617 CB 1.577 48 residues pruned to eliminate duplicates Z: 57 46.926 2.284 0.489 0.668 0.929 0.679 CB 1.701 57 residues pruned to eliminate duplicates Z: 58 50.937 2.272 0.606 0.662 0.947 0.614 CB 1.679 58 residues pruned to eliminate duplicates Z: 43 32.510 2.207 0.384 0.598 0.952 0.619 CB 1.571 43 residues pruned to eliminate duplicates Z: 29 32.222 2.194 0.492 0.674 1.000 0.571 CB 1.585 29 residues pruned to eliminate duplicates Z: 43 33.687 2.236 0.442 0.585 0.929 0.571 CB 1.600 43 residues pruned to eliminate duplicates Z: 58 52.824 2.277 0.650 0.665 0.947 0.579 CB 1.687 58 residues pruned to eliminate duplicates Z: 58 43.487 2.243 0.419 0.638 0.947 0.702 CB 1.680 58 residues pruned to eliminate duplicates Z: 42 38.910 2.248 0.499 0.612 0.976 0.537 CB 1.662 42 residues pruned to eliminate duplicates Z: 42 41.591 2.258 0.570 0.622 0.976 0.610 CB 1.674 42 residues pruned to eliminate duplicates Z: 38 31.259 2.210 0.470 0.578 0.946 0.649 CB 1.551 38 residues pruned to eliminate duplicates Z: 30 28.364 2.153 0.498 0.604 1.000 0.621 CB 1.479 30 residues pruned to eliminate duplicates Z: 44 34.051 2.195 0.508 0.566 0.930 0.488 CB 1.582 44 residues pruned to eliminate duplicates Z: 54 45.265 2.206 0.635 0.616 0.925 0.566 CB 1.669 54 residues pruned to eliminate duplicates Z: 29 32.269 2.185 0.527 0.657 1.000 0.643 CB 1.580 29 residues pruned to eliminate duplicates Z: 29 30.376 2.172 0.479 0.647 1.000 0.679 CB 1.558 29 residues pruned to eliminate duplicates Z: 43 37.738 2.221 0.475 0.640 0.952 0.548 CB 1.637 43 residues pruned to eliminate duplicates Z: 44 34.496 2.178 0.447 0.597 0.953 0.535 CB 1.594 44 residues pruned to eliminate duplicates Z: 58 46.629 2.270 0.502 0.644 0.947 0.649 CB 1.671 58 residues pruned to eliminate duplicates Z: 43 34.001 2.180 0.430 0.607 0.929 0.643 CB 1.636 43 residues pruned to eliminate duplicates Z: 57 49.011 2.213 0.680 0.632 0.911 0.607 CB 1.709 57 residues pruned to eliminate duplicates Z: 9 9.971 2.212 0.242 0.422 0.875 0.625 CB 1.590 9 residues pruned to eliminate duplicates Z: 119 84.007 2.386 0.632 0.690 0.915 0.712 CB 1.823 119 residues pruned to eliminate duplicates Z: 15 17.406 2.305 0.322 0.477 0.857 0.429 CB 1.822 15 residues pruned to eliminate duplicates Z: 58 46.144 2.257 0.490 0.637 0.930 0.614 CB 1.719 58 residues pruned to eliminate duplicates Z: 45 33.659 2.141 0.453 0.578 0.932 0.523 CB 1.624 45 residues pruned to eliminate duplicates Z: 29 47.583 2.347 0.836 0.694 0.929 0.500 CB 1.882 29 residues pruned to eliminate duplicates Z: 59 49.653 2.268 0.555 0.640 0.931 0.690 CB 1.742 59 residues pruned to eliminate duplicates Z: 32 38.585 2.223 0.721 0.631 0.903 0.516 CB 1.773 32 residues pruned to eliminate duplicates Z: 22 41.748 2.334 0.846 0.744 0.905 0.667 CB 1.879 22 residues pruned to eliminate duplicates Z: 22 34.937 2.317 0.762 0.691 0.857 0.714 CB 1.829 22 residues pruned to eliminate duplicates Z: 54 52.167 2.265 0.686 0.603 0.981 0.491 CB 1.735 54 residues pruned to eliminate duplicates Z: 17 37.502 2.286 0.759 0.817 0.938 0.688 CB 1.888 17 residues pruned to eliminate duplicates Z: 18 38.496 2.309 0.797 0.818 0.941 0.941 CB 1.814 18 residues pruned to eliminate duplicates Z: 17 45.309 2.375 0.899 0.884 1.000 0.875 CB 1.815 17 residues pruned to eliminate duplicates Z: 18 38.689 2.348 0.760 0.822 0.941 0.882 CA 1.826 18 residues pruned to eliminate duplicates Z: 32 36.530 2.259 0.671 0.672 0.871 0.710 CB 1.703 32 residues pruned to eliminate duplicates Z: 59 54.348 2.282 0.628 0.667 0.948 0.724 CB 1.737 59 residues pruned to eliminate duplicates Z: 18 40.668 2.378 0.817 0.823 0.941 0.941 CA 1.834 18 residues pruned to eliminate duplicates Z: 142 96.370 2.381 0.693 0.705 0.922 0.745 CB 1.813 142 residues pruned to eliminate duplicates Z: 18 40.181 2.402 0.837 0.770 0.941 0.765 CB 1.847 18 residues pruned to eliminate duplicates Z: 29 47.132 2.354 0.732 0.697 0.964 0.714 CB 1.893 29 residues pruned to eliminate duplicates Z: 18 48.339 2.397 0.950 0.803 1.000 0.824 CB 1.925 18 residues pruned to eliminate duplicates Z: 144 113.565 2.430 0.747 0.740 0.979 0.755 CB 1.843 144 residues pruned to eliminate duplicates Z: 155 111.478 2.434 0.693 0.724 0.968 0.734 CB 1.842 155 residues pruned to eliminate duplicates Z: 56 70.536 2.404 0.774 0.766 0.982 0.836 CB 1.795 56 residues pruned to eliminate duplicates Z: 183 112.063 2.398 0.633 0.707 0.973 0.714 CB 1.807 183 residues pruned to eliminate duplicates Z: 41 59.079 2.454 0.756 0.706 0.950 0.725 CB 1.892 41 residues pruned to eliminate duplicates Z: 143 109.042 2.438 0.692 0.744 0.972 0.803 CB 1.836 143 residues pruned to eliminate duplicates Z: 67 71.881 2.364 0.690 0.743 0.985 0.742 CB 1.809 67 residues pruned to eliminate duplicates Z: 134 109.827 2.448 0.696 0.745 0.985 0.767 CB 1.870 134 residues pruned to eliminate duplicates Z: 145 109.522 2.428 0.718 0.729 0.972 0.743 CB 1.831 145 residues pruned to eliminate duplicates Z: 43 56.934 2.350 0.821 0.670 0.952 0.833 CB 1.841 43 residues pruned to eliminate duplicates Z: 178 104.992 2.356 0.660 0.678 0.960 0.655 CB 1.784 178 residues pruned to eliminate duplicates Z: 143 107.366 2.415 0.715 0.751 0.958 0.761 CB 1.816 143 residues pruned to eliminate duplicates Z: 56 73.609 2.418 0.805 0.748 0.982 0.673 CB 1.856 56 residues pruned to eliminate duplicates Z: 141 111.658 2.446 0.667 0.749 0.986 0.714 CB 1.879 141 residues pruned to eliminate duplicates Z: 53 62.219 2.361 0.738 0.703 0.962 0.712 CB 1.817 53 residues pruned to eliminate duplicates Z: 157 114.362 2.418 0.758 0.720 0.955 0.705 CB 1.849 157 residues pruned to eliminate duplicates Z: 142 109.480 2.434 0.688 0.744 0.986 0.738 CB 1.829 142 residues pruned to eliminate duplicates Z: 141 109.408 2.432 0.717 0.743 0.950 0.757 CB 1.876 141 residues pruned to eliminate duplicates Z: 141 110.440 2.450 0.692 0.745 0.971 0.743 CB 1.862 141 residues pruned to eliminate duplicates Z: 129 106.523 2.430 0.780 0.720 0.961 0.703 CB 1.857 129 residues pruned to eliminate duplicates Z: 129 98.551 2.411 0.711 0.710 0.953 0.750 CB 1.831 129 residues pruned to eliminate duplicates Z: 105 94.565 2.427 0.705 0.738 0.981 0.683 CB 1.846 105 residues pruned to eliminate duplicates Z: 142 108.669 2.439 0.667 0.739 0.979 0.759 CB 1.857 142 residues pruned to eliminate duplicates Z: 74 71.977 2.357 0.837 0.698 0.932 0.685 CB 1.743 74 residues pruned to eliminate duplicates Z: 43 59.064 2.349 0.913 0.663 0.976 0.738 CB 1.786 43 residues pruned to eliminate duplicates Z: 143 109.626 2.436 0.691 0.746 0.972 0.746 CB 1.845 143 residues pruned to eliminate duplicates Z: 131 102.246 2.418 0.675 0.721 0.977 0.777 CB 1.856 131 residues pruned to eliminate duplicates Z: 124 100.113 2.449 0.685 0.743 0.943 0.772 CB 1.866 124 residues pruned to eliminate duplicates Z: 129 103.046 2.428 0.720 0.726 0.969 0.727 CB 1.836 129 residues pruned to eliminate duplicates Z: 159 104.745 2.402 0.668 0.705 0.949 0.696 CB 1.818 159 residues pruned to eliminate duplicates Z: 129 103.544 2.440 0.702 0.713 0.977 0.734 CB 1.861 129 residues pruned to eliminate duplicates Z: 142 113.117 2.445 0.724 0.749 0.979 0.773 CB 1.848 142 residues pruned to eliminate duplicates Z: 143 113.777 2.428 0.778 0.740 0.972 0.739 CB 1.835 143 residues pruned to eliminate duplicates Z: 55 62.079 2.299 0.816 0.698 0.963 0.833 CB 1.754 55 residues pruned to eliminate duplicates Z: 126 109.842 2.466 0.776 0.730 0.968 0.752 CB 1.884 126 residues pruned to eliminate duplicates Z: 143 114.642 2.420 0.792 0.723 0.979 0.725 CB 1.853 143 residues pruned to eliminate duplicates Z: 128 96.127 2.427 0.656 0.726 0.937 0.740 CB 1.849 128 residues pruned to eliminate duplicates Z: 183 112.364 2.392 0.662 0.718 0.962 0.742 CB 1.789 183 residues pruned to eliminate duplicates Z: 147 112.913 2.416 0.766 0.732 0.966 0.760 CB 1.841 147 residues pruned to eliminate duplicates Z: 186 112.471 2.370 0.729 0.688 0.951 0.692 CB 1.785 186 residues pruned to eliminate duplicates Z: 58 63.244 2.367 0.733 0.702 0.947 0.719 CB 1.793 58 residues pruned to eliminate duplicates Z: 52 55.455 2.355 0.628 0.681 0.941 0.608 CB 1.821 52 residues pruned to eliminate duplicates Z: 113 82.446 2.334 0.721 0.666 0.946 0.679 CB 1.758 113 residues pruned to eliminate duplicates Z: 89 83.377 2.422 0.690 0.732 0.943 0.716 CB 1.868 89 residues pruned to eliminate duplicates Z: 141 116.889 2.452 0.770 0.747 0.986 0.743 CB 1.852 141 residues pruned to eliminate duplicates Z: 134 108.655 2.444 0.744 0.751 0.970 0.774 CB 1.821 134 residues pruned to eliminate duplicates Z: 142 110.817 2.426 0.771 0.735 0.950 0.738 CB 1.850 142 residues pruned to eliminate duplicates Z: 95 82.640 2.428 0.591 0.730 0.968 0.734 CB 1.854 95 residues pruned to eliminate duplicates Z: 126 102.811 2.428 0.715 0.733 0.960 0.800 CB 1.865 126 residues pruned to eliminate duplicates Z: 133 111.864 2.439 0.768 0.757 0.970 0.780 CB 1.853 133 residues pruned to eliminate duplicates Z: 87 77.653 2.439 0.549 0.730 0.965 0.674 CB 1.868 87 residues pruned to eliminate duplicates Z: 140 117.312 2.463 0.750 0.748 0.978 0.748 CB 1.890 140 residues pruned to eliminate duplicates Z: 184 115.337 2.389 0.687 0.709 0.973 0.683 CB 1.799 184 residues pruned to eliminate duplicates Z: 77 86.458 2.459 0.738 0.751 0.974 0.711 CB 1.906 77 residues pruned to eliminate duplicates Z: 59 59.341 2.311 0.658 0.679 0.983 0.638 CB 1.754 59 residues pruned to eliminate duplicates Z: 134 96.766 2.384 0.728 0.695 0.955 0.714 CB 1.785 134 residues pruned to eliminate duplicates Z: 95 85.148 2.419 0.646 0.727 0.968 0.798 CB 1.857 95 residues pruned to eliminate duplicates Z: 88 81.779 2.438 0.571 0.741 0.966 0.747 CB 1.910 88 residues pruned to eliminate duplicates Z: 155 109.230 2.423 0.667 0.728 0.968 0.766 CB 1.834 155 residues pruned to eliminate duplicates Z: 87 86.289 2.457 0.632 0.746 0.988 0.744 CB 1.884 87 residues pruned to eliminate duplicates Z: 94 87.102 2.433 0.617 0.739 0.989 0.806 CB 1.873 94 residues pruned to eliminate duplicates Z: 88 83.134 2.434 0.620 0.730 0.977 0.736 CB 1.881 88 residues pruned to eliminate duplicates Z: 89 81.097 2.423 0.609 0.727 0.966 0.705 CB 1.872 89 residues pruned to eliminate duplicates Z: 130 101.440 2.421 0.689 0.723 0.977 0.729 CB 1.828 130 residues pruned to eliminate duplicates Z: 88 76.712 2.405 0.531 0.733 0.977 0.782 CB 1.853 88 residues pruned to eliminate duplicates Z: 91 78.926 2.419 0.607 0.704 0.967 0.711 CB 1.839 91 residues pruned to eliminate duplicates Z: 88 81.645 2.414 0.592 0.724 0.989 0.701 CB 1.882 88 residues pruned to eliminate duplicates Z: 90 82.307 2.429 0.636 0.734 0.955 0.730 CB 1.864 90 residues pruned to eliminate duplicates Z: 54 58.093 2.374 0.633 0.662 0.981 0.698 CB 1.806 54 residues pruned to eliminate duplicates Z: 144 110.474 2.437 0.714 0.738 0.972 0.762 CB 1.838 144 residues pruned to eliminate duplicates Z: 106 93.669 2.408 0.767 0.740 0.952 0.800 CB 1.819 106 residues pruned to eliminate duplicates Z: 130 97.251 2.422 0.613 0.731 0.977 0.752 CB 1.822 130 residues pruned to eliminate duplicates Z: 88 83.456 2.434 0.671 0.729 0.966 0.690 CB 1.854 88 residues pruned to eliminate duplicates Z: 88 83.193 2.432 0.644 0.729 0.977 0.736 CB 1.858 88 residues pruned to eliminate duplicates Z: 143 110.658 2.439 0.706 0.743 0.965 0.739 CB 1.861 143 residues pruned to eliminate duplicates Z: 90 78.794 2.421 0.596 0.712 0.944 0.719 CB 1.890 90 residues pruned to eliminate duplicates Z: 96 84.480 2.401 0.628 0.721 0.979 0.737 CB 1.856 96 residues pruned to eliminate duplicates Z: 97 79.978 2.383 0.608 0.699 0.979 0.740 CB 1.814 97 residues pruned to eliminate duplicates Z: 144 106.046 2.427 0.670 0.737 0.965 0.762 CB 1.832 144 residues pruned to eliminate duplicates Z: 129 103.240 2.433 0.717 0.713 0.969 0.766 CB 1.859 129 residues pruned to eliminate duplicates Z: 125 104.115 2.430 0.769 0.742 0.960 0.750 CB 1.826 125 residues pruned to eliminate duplicates Z: 141 108.096 2.407 0.739 0.738 0.964 0.764 CB 1.828 141 residues pruned to eliminate duplicates Z: 105 94.348 2.412 0.735 0.728 0.971 0.712 CB 1.854 105 residues pruned to eliminate duplicates Z: 94 82.129 2.429 0.608 0.736 0.957 0.731 CB 1.844 94 residues pruned to eliminate duplicates Z: 92 75.629 2.390 0.592 0.682 0.956 0.703 CB 1.844 92 residues pruned to eliminate duplicates Z: 93 79.866 2.373 0.673 0.709 0.957 0.750 CB 1.814 93 residues pruned to eliminate duplicates Z: 95 86.501 2.414 0.684 0.723 0.979 0.681 CB 1.833 95 residues pruned to eliminate duplicates Z: 94 88.806 2.429 0.694 0.741 0.968 0.763 CB 1.865 94 residues pruned to eliminate duplicates Z: 95 87.518 2.416 0.671 0.735 0.979 0.766 CB 1.849 96 residues pruned to eliminate duplicates Z: 21 45.422 2.411 0.869 0.811 0.950 0.800 CB 1.810 21 residues pruned to eliminate duplicates Z: 128 104.178 2.424 0.752 0.729 0.969 0.756 CB 1.829 128 residues pruned to eliminate duplicates Z: 88 85.671 2.437 0.694 0.738 0.954 0.770 CB 1.883 88 residues pruned to eliminate duplicates Z: 141 116.769 2.449 0.752 0.753 0.986 0.764 CB 1.862 141 residues pruned to eliminate duplicates Z: 140 110.148 2.432 0.753 0.726 0.964 0.741 CB 1.854 140 residues pruned to eliminate duplicates Z: 73 78.485 2.438 0.679 0.752 0.958 0.778 CB 1.884 73 residues pruned to eliminate duplicates Z: 89 84.623 2.416 0.711 0.731 0.966 0.727 CB 1.836 89 residues pruned to eliminate duplicates Z: 95 72.992 2.361 0.551 0.677 0.979 0.734 CB 1.785 95 residues pruned to eliminate duplicates Z: 89 77.784 2.402 0.629 0.707 0.932 0.773 CB 1.885 89 residues pruned to eliminate duplicates Z: 95 84.631 2.410 0.669 0.738 0.957 0.777 CB 1.831 95 residues pruned to eliminate duplicates Z: 75 75.295 2.392 0.707 0.731 0.919 0.743 CB 1.895 75 residues pruned to eliminate duplicates Z: 91 81.859 2.397 0.650 0.709 0.967 0.733 CB 1.866 91 residues pruned to eliminate duplicates Z: 37 66.898 2.521 0.811 0.796 0.972 0.750 CB 1.939 37 residues pruned to eliminate duplicates Z: 141 112.850 2.417 0.824 0.734 0.964 0.707 CB 1.818 141 residues pruned to eliminate duplicates Z: 129 104.841 2.415 0.759 0.726 0.961 0.781 CB 1.852 129 residues pruned to eliminate duplicates Z: 156 110.536 2.396 0.771 0.711 0.942 0.742 CB 1.834 156 residues pruned to eliminate duplicates Z: 142 114.430 2.407 0.814 0.743 0.957 0.681 CB 1.855 142 residues pruned to eliminate duplicates Z: 133 114.413 2.451 0.788 0.759 0.977 0.818 CB 1.847 133 residues pruned to eliminate duplicates Z: 184 120.363 2.395 0.714 0.723 0.978 0.705 CB 1.811 184 residues pruned to eliminate duplicates Z: 26 75.430 2.481 1.399 0.923 0.960 0.920 CB 1.856 26 residues pruned to eliminate duplicates Z: 182 120.188 2.393 0.774 0.707 0.961 0.713 CB 1.814 183 residues pruned to eliminate duplicates Z: 27 71.632 2.463 1.254 0.919 1.000 0.808 CB 1.784 27 residues pruned to eliminate duplicates Z: 89 89.111 2.414 0.808 0.731 0.955 0.739 CB 1.853 89 residues pruned to eliminate duplicates Z: 94 92.405 2.425 0.800 0.736 0.978 0.742 CB 1.815 94 residues pruned to eliminate duplicates Z: 27 67.025 2.508 1.229 0.892 0.923 0.731 CB 1.830 27 residues pruned to eliminate duplicates Z: 141 122.390 2.449 0.859 0.752 0.986 0.757 CB 1.841 141 residues pruned to eliminate duplicates Z: 89 86.147 2.396 0.737 0.724 0.966 0.716 CB 1.867 89 residues pruned to eliminate duplicates Z: 88 86.209 2.433 0.736 0.723 0.954 0.724 CB 1.876 88 residues pruned to eliminate duplicates Z: 130 105.395 2.415 0.787 0.727 0.961 0.775 CB 1.823 130 residues pruned to eliminate duplicates Z: 94 92.658 2.429 0.764 0.734 0.989 0.763 CB 1.837 94 residues pruned to eliminate duplicates Z: 133 103.911 2.384 0.837 0.697 0.955 0.750 CB 1.807 133 residues pruned to eliminate duplicates Z: 74 87.794 2.462 0.812 0.749 0.986 0.740 CB 1.870 74 residues pruned to eliminate duplicates Z: 16 11.260 1.943 0.224 0.563 0.800 0.600 CB 1.437 16 residues pruned to eliminate duplicates Z: 12 20.053 2.189 0.280 0.723 1.000 0.818 C 1.765 12 residues pruned to eliminate duplicates Z: 142 122.486 2.438 0.859 0.746 0.979 0.801 CB 1.866 142 residues pruned to eliminate duplicates Z: 94 89.363 2.424 0.735 0.743 0.968 0.742 CB 1.831 94 residues pruned to eliminate duplicates Z: 91 85.464 2.402 0.696 0.722 0.967 0.722 CB 1.872 91 residues pruned to eliminate duplicates Z: 29 41.177 2.354 0.669 0.577 1.000 0.679 CB 1.839 29 residues pruned to eliminate duplicates Z: 6 7.115 2.023 0.704 0.270 0.800 0.400 CB 1.499 6 residues pruned to eliminate duplicates Z: 30 37.919 2.320 0.652 0.607 0.931 0.724 CB 1.782 30 residues pruned to eliminate duplicates Z: 186 118.380 2.430 0.705 0.698 0.946 0.735 CB 1.855 183 residues pruned to eliminate duplicates Z: 7 13.990 2.242 0.512 0.618 1.000 0.500 CA 1.507 7 residues pruned to eliminate duplicates Z: 42 48.921 2.410 0.635 0.595 0.951 0.634 CB 1.862 42 residues pruned to eliminate duplicates Z: 60 54.342 2.327 0.625 0.590 0.932 0.661 CB 1.841 60 residues pruned to eliminate duplicates Z: 29 41.981 2.311 0.699 0.648 0.964 0.714 CB 1.825 30 residues pruned to eliminate duplicates Z: 7 8.493 1.971 0.329 0.469 1.000 0.833 CA 1.366 7 residues pruned to eliminate duplicates Z: 30 39.339 2.315 0.642 0.633 0.931 0.724 CB 1.822 30 residues pruned to eliminate duplicates Z: 30 41.800 2.359 0.726 0.632 0.966 0.759 CB 1.744 30 residues pruned to eliminate duplicates Z: 61 58.709 2.387 0.672 0.626 0.933 0.600 CB 1.808 61 residues pruned to eliminate duplicates Z: 14 39.808 2.385 0.769 0.943 1.000 0.923 CB 1.814 14 residues pruned to eliminate duplicates Z: 42 44.517 2.388 0.584 0.570 0.902 0.610 CB 1.902 42 residues pruned to eliminate duplicates Z: 43 48.691 2.386 0.597 0.580 0.976 0.643 CB 1.870 43 residues pruned to eliminate duplicates Z: 13 34.199 2.398 0.531 0.926 1.000 0.917 CB 1.886 13 residues pruned to eliminate duplicates Z: 58 59.742 2.412 0.600 0.664 0.930 0.684 CB 1.894 58 residues pruned to eliminate duplicates Z: 14 41.555 2.382 0.821 0.937 1.000 0.846 CB 1.849 14 residues pruned to eliminate duplicates Z: 42 50.931 2.410 0.672 0.623 0.927 0.659 CB 1.897 42 residues pruned to eliminate duplicates Z: 41 45.290 2.329 0.671 0.607 0.925 0.525 CB 1.798 41 residues pruned to eliminate duplicates Z: 58 63.822 2.394 0.673 0.685 0.947 0.737 CB 1.880 58 residues pruned to eliminate duplicates Z: 16 37.470 2.235 0.913 0.850 0.933 0.733 CB 1.797 16 residues pruned to eliminate duplicates Z: 184 122.611 2.454 0.682 0.708 0.973 0.732 CB 1.870 184 residues pruned to eliminate duplicates Z: 42 49.747 2.430 0.683 0.575 0.927 0.561 CB 1.907 42 residues pruned to eliminate duplicates Z: 38 43.998 2.392 0.670 0.570 0.946 0.595 CB 1.789 38 residues pruned to eliminate duplicates Z: 43 47.686 2.391 0.571 0.585 0.952 0.571 CB 1.895 43 residues pruned to eliminate duplicates Z: 43 47.898 2.402 0.665 0.570 0.929 0.548 CB 1.860 43 residues pruned to eliminate duplicates Z: 42 54.907 2.428 0.665 0.602 1.000 0.585 CB 1.924 42 residues pruned to eliminate duplicates Z: 8 11.741 1.858 0.644 0.613 1.000 0.571 CA 1.306 8 residues pruned to eliminate duplicates Z: 59 63.771 2.426 0.675 0.650 0.931 0.672 CB 1.924 59 residues pruned to eliminate duplicates Z: 41 52.036 2.428 0.667 0.602 0.975 0.575 CB 1.892 41 residues pruned to eliminate duplicates Z: 41 50.442 2.431 0.610 0.611 0.950 0.575 CB 1.931 41 residues pruned to eliminate duplicates Z: 46 43.764 2.333 0.616 0.532 0.933 0.489 CB 1.797 46 residues pruned to eliminate duplicates Z: 42 49.992 2.440 0.611 0.616 0.927 0.585 CB 1.921 42 residues pruned to eliminate duplicates Z: 43 48.729 2.414 0.659 0.586 0.929 0.500 CB 1.863 43 residues pruned to eliminate duplicates Z: 17 21.652 2.295 0.570 0.423 0.875 0.250 CA 1.861 17 residues pruned to eliminate duplicates Z: 97 82.356 2.442 0.700 0.677 0.938 0.656 CB 1.835 97 residues pruned to eliminate duplicates Z: 58 69.264 2.429 0.700 0.696 0.965 0.719 CB 1.926 58 residues pruned to eliminate duplicates Z: 30 35.442 2.318 0.616 0.613 0.828 0.586 CB 1.908 30 residues pruned to eliminate duplicates Z: 18 41.982 2.448 0.625 0.823 1.000 0.824 CB 1.934 18 residues pruned to eliminate duplicates Z: 19 35.406 2.395 0.557 0.778 0.944 0.722 CA 1.854 19 residues pruned to eliminate duplicates Z: 148 104.970 2.447 0.650 0.724 0.939 0.741 CB 1.867 148 residues pruned to eliminate duplicates Z: 19 43.245 2.311 0.719 0.921 1.000 0.944 CA 1.805 19 residues pruned to eliminate duplicates Z: 148 112.361 2.460 0.687 0.737 0.966 0.762 CB 1.869 148 residues pruned to eliminate duplicates Z: 58 66.597 2.439 0.683 0.682 0.947 0.667 CB 1.919 58 residues pruned to eliminate duplicates Z: 18 44.635 2.390 0.760 0.890 0.941 0.824 CA 1.968 18 residues pruned to eliminate duplicates Z: 17 48.289 2.465 0.790 0.932 1.000 0.938 CA 1.911 17 residues pruned to eliminate duplicates Z: 17 47.227 2.472 0.778 0.937 1.000 0.938 CA 1.869 17 residues pruned to eliminate duplicates Z: 143 107.626 2.457 0.688 0.739 0.951 0.782 CB 1.850 143 residues pruned to eliminate duplicates Z: 18 40.074 2.385 0.698 0.836 1.000 0.824 CA 1.796 18 residues pruned to eliminate duplicates Z: 17 50.542 2.494 0.864 0.887 1.000 0.875 CB 1.961 17 residues pruned to eliminate duplicates Z: 58 72.144 2.454 0.785 0.673 0.982 0.702 CB 1.893 58 residues pruned to eliminate duplicates Z: 17 53.158 2.474 0.958 0.889 1.000 0.875 CB 1.975 17 residues pruned to eliminate duplicates Z: 106 94.271 2.440 0.744 0.725 0.952 0.790 CB 1.853 106 residues pruned to eliminate duplicates Z: 89 80.020 2.408 0.671 0.704 0.977 0.705 CB 1.801 89 residues pruned to eliminate duplicates Z: 68 73.281 2.433 0.707 0.758 0.955 0.836 CB 1.793 68 residues pruned to eliminate duplicates Z: 67 72.066 2.399 0.672 0.767 0.985 0.682 CB 1.772 67 residues pruned to eliminate duplicates Z: 130 96.146 2.420 0.678 0.718 0.953 0.744 CB 1.795 130 residues pruned to eliminate duplicates Z: 106 91.762 2.441 0.684 0.736 0.971 0.733 CB 1.816 106 residues pruned to eliminate duplicates Z: 143 110.019 2.433 0.737 0.733 0.965 0.754 CB 1.837 142 residues pruned to eliminate duplicates Z: 13 33.309 2.449 0.587 0.920 0.917 0.833 CB 1.901 13 residues pruned to eliminate duplicates Z: 56 65.891 2.437 0.655 0.770 0.982 0.764 CB 1.766 56 residues pruned to eliminate duplicates Z: 69 66.327 2.366 0.685 0.728 0.941 0.765 CB 1.746 69 residues pruned to eliminate duplicates Z: 72 72.231 2.414 0.613 0.745 0.986 0.761 CB 1.794 72 residues pruned to eliminate duplicates Z: 141 109.231 2.446 0.704 0.738 0.957 0.771 CB 1.869 141 residues pruned to eliminate duplicates Z: 142 109.707 2.460 0.691 0.745 0.972 0.738 CB 1.835 142 residues pruned to eliminate duplicates Z: 107 96.333 2.450 0.741 0.733 0.972 0.745 CB 1.831 107 residues pruned to eliminate duplicates Z: 142 109.213 2.459 0.684 0.747 0.972 0.752 CB 1.833 142 residues pruned to eliminate duplicates Z: 148 104.602 2.444 0.717 0.687 0.939 0.721 CB 1.845 148 residues pruned to eliminate duplicates Z: 87 80.276 2.426 0.641 0.728 0.965 0.733 CB 1.836 87 residues pruned to eliminate duplicates Z: 94 79.314 2.398 0.700 0.702 0.946 0.731 CB 1.774 94 residues pruned to eliminate duplicates Z: 144 107.416 2.449 0.664 0.753 0.958 0.804 CB 1.835 144 residues pruned to eliminate duplicates Z: 181 121.661 2.444 0.768 0.693 0.939 0.722 CB 1.874 181 residues pruned to eliminate duplicates Z: 143 116.044 2.464 0.750 0.761 0.972 0.782 CB 1.843 143 residues pruned to eliminate duplicates Z: 41 61.721 2.440 0.904 0.727 0.975 0.750 CB 1.755 41 residues pruned to eliminate duplicates Z: 129 99.925 2.424 0.734 0.722 0.945 0.727 CB 1.819 129 residues pruned to eliminate duplicates Z: 142 111.128 2.468 0.699 0.750 0.965 0.773 CB 1.852 142 residues pruned to eliminate duplicates Z: 59 58.616 2.356 0.687 0.669 0.948 0.638 CB 1.746 59 residues pruned to eliminate duplicates Z: 133 108.843 2.462 0.745 0.757 0.947 0.773 CB 1.852 133 residues pruned to eliminate duplicates Z: 144 113.523 2.433 0.770 0.754 0.972 0.811 CB 1.808 144 residues pruned to eliminate duplicates Z: 17 34.369 2.282 0.405 0.922 1.000 0.938 CA 1.884 17 residues pruned to eliminate duplicates Z: 140 117.271 2.477 0.760 0.761 0.971 0.770 CB 1.864 140 residues pruned to eliminate duplicates Z: 106 93.815 2.453 0.722 0.744 0.962 0.819 CB 1.811 106 residues pruned to eliminate duplicates Z: 126 103.389 2.464 0.699 0.734 0.976 0.776 CB 1.835 126 residues pruned to eliminate duplicates Z: 143 112.502 2.455 0.785 0.757 0.944 0.796 CB 1.817 143 residues pruned to eliminate duplicates Z: 142 117.007 2.462 0.763 0.747 0.986 0.787 CB 1.847 142 residues pruned to eliminate duplicates Z: 60 65.818 2.354 0.792 0.733 0.949 0.746 CB 1.737 60 residues pruned to eliminate duplicates Z: 58 60.600 2.323 0.812 0.690 0.930 0.772 CB 1.724 58 residues pruned to eliminate duplicates Z: 142 109.602 2.461 0.681 0.752 0.979 0.787 CB 1.820 142 residues pruned to eliminate duplicates Z: 147 105.565 2.418 0.811 0.686 0.932 0.719 CB 1.807 147 residues pruned to eliminate duplicates Z: 106 92.713 2.435 0.737 0.731 0.971 0.771 CB 1.788 106 residues pruned to eliminate duplicates Z: 71 76.447 2.424 0.687 0.768 0.971 0.786 CB 1.815 71 residues pruned to eliminate duplicates Z: 143 112.030 2.453 0.729 0.746 0.972 0.782 CB 1.830 143 residues pruned to eliminate duplicates Z: 144 103.552 2.405 0.739 0.734 0.951 0.776 CB 1.765 144 residues pruned to eliminate duplicates Z: 36 38.203 2.186 0.596 0.700 0.914 0.714 CB 1.687 36 residues pruned to eliminate duplicates Z: 68 69.764 2.371 0.670 0.744 0.985 0.851 CB 1.757 68 residues pruned to eliminate duplicates Z: 128 101.424 2.446 0.694 0.735 0.953 0.780 CB 1.846 128 residues pruned to eliminate duplicates Z: 106 87.811 2.433 0.672 0.723 0.943 0.771 CB 1.826 106 residues pruned to eliminate duplicates Z: 99 81.301 2.371 0.705 0.703 0.929 0.735 CB 1.819 99 residues pruned to eliminate duplicates Z: 109 81.094 2.370 0.706 0.721 0.935 0.778 CB 1.689 109 residues pruned to eliminate duplicates Z: 75 82.355 2.427 0.837 0.724 0.973 0.743 CB 1.803 75 residues pruned to eliminate duplicates Z: 144 115.854 2.451 0.801 0.735 0.958 0.741 CB 1.855 144 residues pruned to eliminate duplicates Z: 143 113.695 2.462 0.711 0.750 0.979 0.796 CB 1.850 143 residues pruned to eliminate duplicates Z: 141 113.952 2.458 0.757 0.750 0.971 0.764 CB 1.835 141 residues pruned to eliminate duplicates Z: 130 109.244 2.428 0.854 0.727 0.961 0.713 CB 1.811 130 residues pruned to eliminate duplicates Z: 142 109.333 2.458 0.727 0.741 0.950 0.801 CB 1.839 142 residues pruned to eliminate duplicates Z: 128 100.187 2.414 0.779 0.708 0.945 0.732 CB 1.815 128 residues pruned to eliminate duplicates Z: 106 90.783 2.439 0.698 0.737 0.962 0.733 CB 1.799 106 residues pruned to eliminate duplicates Z: 52 59.272 2.404 0.660 0.686 0.941 0.706 CB 1.863 52 residues pruned to eliminate duplicates Z: 92 77.391 2.395 0.693 0.698 0.934 0.703 CB 1.789 92 residues pruned to eliminate duplicates Z: 145 112.429 2.433 0.751 0.740 0.965 0.771 CB 1.838 145 residues pruned to eliminate duplicates Z: 143 115.492 2.456 0.767 0.751 0.972 0.789 CB 1.837 143 residues pruned to eliminate duplicates Z: 143 116.370 2.451 0.837 0.747 0.965 0.775 CB 1.802 143 residues pruned to eliminate duplicates Z: 90 86.675 2.446 0.729 0.757 0.966 0.798 CB 1.789 90 residues pruned to eliminate duplicates Z: 137 106.914 2.421 0.768 0.727 0.956 0.750 CB 1.827 137 residues pruned to eliminate duplicates Z: 143 107.488 2.418 0.706 0.744 0.979 0.775 CB 1.796 143 residues pruned to eliminate duplicates Z: 182 128.646 2.453 0.776 0.711 0.972 0.724 CB 1.864 182 residues pruned to eliminate duplicates Z: 183 123.296 2.440 0.757 0.713 0.951 0.698 CB 1.849 183 residues pruned to eliminate duplicates Z: 140 110.778 2.456 0.757 0.729 0.964 0.755 CB 1.838 142 residues pruned to eliminate duplicates Z: 23 41.361 2.368 0.613 0.831 0.955 0.818 CB 1.817 23 residues pruned to eliminate duplicates Z: 93 81.103 2.399 0.765 0.695 0.924 0.728 CB 1.808 93 residues pruned to eliminate duplicates Z: 106 90.922 2.422 0.751 0.738 0.952 0.743 CB 1.775 106 residues pruned to eliminate duplicates Z: 128 102.915 2.438 0.751 0.725 0.953 0.787 CB 1.833 128 residues pruned to eliminate duplicates Z: 105 94.018 2.439 0.717 0.753 0.971 0.788 CB 1.809 105 residues pruned to eliminate duplicates Z: 107 91.064 2.435 0.656 0.737 0.953 0.783 CB 1.861 107 residues pruned to eliminate duplicates Z: 108 93.453 2.417 0.772 0.728 0.963 0.738 CB 1.785 108 residues pruned to eliminate duplicates Z: 129 101.922 2.444 0.703 0.720 0.969 0.758 CB 1.831 129 residues pruned to eliminate duplicates Z: 131 104.516 2.427 0.758 0.724 0.962 0.738 CB 1.826 131 residues pruned to eliminate duplicates Z: 126 103.940 2.425 0.783 0.744 0.960 0.752 CB 1.801 126 residues pruned to eliminate duplicates Z: 156 115.419 2.454 0.730 0.724 0.968 0.716 CB 1.843 156 residues pruned to eliminate duplicates Z: 105 91.474 2.457 0.608 0.739 0.981 0.750 CB 1.867 105 residues pruned to eliminate duplicates Z: 97 83.863 2.375 0.709 0.706 0.969 0.698 CB 1.805 97 residues pruned to eliminate duplicates Z: 72 69.523 2.418 0.696 0.693 0.915 0.704 CB 1.842 72 residues pruned to eliminate duplicates Z: 108 89.335 2.431 0.697 0.720 0.963 0.757 CB 1.782 108 residues pruned to eliminate duplicates Z: 143 113.646 2.457 0.720 0.750 0.979 0.739 CB 1.845 143 residues pruned to eliminate duplicates Z: 143 116.077 2.453 0.766 0.757 0.972 0.761 CB 1.841 143 residues pruned to eliminate duplicates Z: 144 114.333 2.446 0.747 0.751 0.972 0.797 CB 1.841 144 residues pruned to eliminate duplicates Z: 144 119.385 2.462 0.786 0.748 0.986 0.790 CB 1.845 144 residues pruned to eliminate duplicates Z: 143 112.336 2.441 0.738 0.752 0.958 0.761 CB 1.854 143 residues pruned to eliminate duplicates Z: 34 55.067 2.491 0.617 0.746 1.000 0.758 CB 1.910 34 residues pruned to eliminate duplicates Z: 143 109.790 2.463 0.700 0.752 0.965 0.768 CB 1.822 143 residues pruned to eliminate duplicates Z: 73 86.219 2.492 0.796 0.758 0.972 0.778 CB 1.855 73 residues pruned to eliminate duplicates Z: 78 83.347 2.490 0.758 0.731 0.948 0.818 CB 1.861 78 residues pruned to eliminate duplicates Z: 127 106.947 2.461 0.766 0.733 0.968 0.778 CB 1.836 127 residues pruned to eliminate duplicates Z: 117 100.092 2.446 0.762 0.732 0.966 0.750 CB 1.812 117 residues pruned to eliminate duplicates Z: 128 105.774 2.448 0.770 0.722 0.969 0.724 CB 1.831 128 residues pruned to eliminate duplicates Z: 62 81.202 2.507 0.812 0.769 0.951 0.787 CB 1.897 62 residues pruned to eliminate duplicates Z: 40 65.348 2.408 0.989 0.777 0.923 0.718 CB 1.854 40 residues pruned to eliminate duplicates Z: 127 107.983 2.444 0.796 0.745 0.960 0.754 CB 1.833 127 residues pruned to eliminate duplicates Z: 40 70.064 2.406 1.000 0.760 0.949 0.744 CB 1.951 40 residues pruned to eliminate duplicates Z: 148 118.579 2.474 0.810 0.724 0.959 0.714 CB 1.860 148 residues pruned to eliminate duplicates Z: 143 115.065 2.444 0.781 0.750 0.972 0.761 CB 1.825 143 residues pruned to eliminate duplicates Z: 143 119.095 2.467 0.798 0.753 0.972 0.775 CB 1.850 143 residues pruned to eliminate duplicates Z: 183 129.787 2.437 0.845 0.714 0.956 0.709 CB 1.844 183 residues pruned to eliminate duplicates Z: 79 90.407 2.457 0.829 0.733 0.987 0.744 CB 1.871 79 residues pruned to eliminate duplicates Z: 87 89.764 2.452 0.759 0.741 0.953 0.756 CB 1.896 87 residues pruned to eliminate duplicates Z: 73 89.174 2.468 0.880 0.758 0.972 0.764 CB 1.852 73 residues pruned to eliminate duplicates Z: 39 67.934 2.436 1.026 0.777 0.921 0.737 CB 1.899 39 residues pruned to eliminate duplicates Z: 121 109.947 2.432 0.901 0.718 0.967 0.750 CB 1.844 121 residues pruned to eliminate duplicates Z: 143 116.196 2.451 0.784 0.756 0.979 0.754 CB 1.814 143 residues pruned to eliminate duplicates Z: 90 92.187 2.413 0.858 0.727 0.955 0.787 CB 1.859 90 residues pruned to eliminate duplicates Z: 133 114.223 2.465 0.826 0.759 0.962 0.765 CB 1.823 133 residues pruned to eliminate duplicates Z: 95 91.858 2.409 0.809 0.721 0.968 0.702 CB 1.839 95 residues pruned to eliminate duplicates Z: 183 132.301 2.451 0.827 0.714 0.978 0.709 CB 1.844 183 residues pruned to eliminate duplicates Z: 118 106.124 2.456 0.866 0.725 0.949 0.735 CB 1.842 118 residues pruned to eliminate duplicates Z: 134 110.995 2.453 0.837 0.742 0.955 0.767 CB 1.801 134 residues pruned to eliminate duplicates Z: 40 67.857 2.384 0.984 0.771 0.949 0.744 CB 1.904 40 residues pruned to eliminate duplicates Z: 128 108.223 2.437 0.813 0.727 0.969 0.732 CB 1.828 128 residues pruned to eliminate duplicates Z: 39 70.976 2.456 1.032 0.776 0.947 0.684 CB 1.908 39 residues pruned to eliminate duplicates Z: 143 116.142 2.433 0.839 0.749 0.965 0.775 CB 1.808 143 residues pruned to eliminate duplicates Z: 39 64.186 2.432 0.847 0.771 0.974 0.789 CB 1.873 39 residues pruned to eliminate duplicates Z: 130 105.702 2.426 0.776 0.724 0.977 0.736 CB 1.806 130 residues pruned to eliminate duplicates Z: 16 10.478 1.893 0.194 0.486 0.867 0.467 CB 1.401 16 residues pruned to eliminate duplicates Z: 154 123.731 2.471 0.799 0.738 0.980 0.732 CB 1.853 154 residues pruned to eliminate duplicates Z: 97 81.484 2.392 0.699 0.702 0.948 0.760 CB 1.796 97 residues pruned to eliminate duplicates Z: 143 122.566 2.471 0.846 0.753 0.979 0.746 CB 1.838 142 residues pruned to eliminate duplicates Z: 7 11.491 2.060 0.131 0.835 1.000 0.833 CA 1.509 7 residues pruned to eliminate duplicates Z: 7 10.229 2.102 0.175 0.866 0.833 0.833 CA 1.485 7 residues pruned to eliminate duplicates Z: 8 9.225 1.904 0.235 0.867 0.857 0.714 CA 1.265 8 residues pruned to eliminate duplicates 367 residues left after pruning, divided into chains as follows: A: 183 B: 184 CC for partial structure against native data = 42.54 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.503, Connect. = 0.811 for dens.mod. cycle 1 = 0.300, Contrast = 0.557, Connect. = 0.823 for dens.mod. cycle 2 = 0.300, Contrast = 0.685, Connect. = 0.847 for dens.mod. cycle 3 = 0.300, Contrast = 0.694, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.707, Connect. = 0.851 for dens.mod. cycle 5 = 0.300, Contrast = 0.712, Connect. = 0.852 for dens.mod. cycle 6 = 0.300, Contrast = 0.719, Connect. = 0.853 for dens.mod. cycle 7 = 0.300, Contrast = 0.723, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.727, Connect. = 0.854 for dens.mod. cycle 9 = 0.300, Contrast = 0.729, Connect. = 0.854 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2640 peaks > 0.5 sigma used to seed fragment search Space for about 465 unique residues taking solvent into account 608 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 18 61.022 2.498 0.988 0.954 1.000 0.941 CA 2.050 B: 19 62.665 2.413 1.201 0.930 1.000 0.778 CB 1.946 18 residues pruned to eliminate duplicates C: 18 47.501 2.363 1.118 0.878 0.941 0.824 CB 1.775 18 residues pruned to eliminate duplicates D: 17 63.319 2.565 1.063 0.950 1.000 0.875 CB 2.063 17 residues pruned to eliminate duplicates E: 16 42.633 2.422 0.618 0.912 1.000 1.000 CB 1.989 F: 27 59.804 2.477 0.987 0.909 0.962 0.885 CB 1.760 G: 18 56.634 2.530 0.924 0.935 1.000 0.941 CB 1.966 18 residues pruned to eliminate duplicates H: 17 41.455 2.517 0.542 0.917 1.000 0.938 CB 1.884 I: 18 45.851 2.406 0.872 0.916 0.882 0.824 CB 1.976 J: 15 35.375 2.388 0.518 0.941 1.000 0.929 CB 1.810 K: 16 34.644 2.397 0.425 0.923 1.000 1.000 CB 1.841 16 residues pruned to eliminate duplicates L: 26 84.991 2.547 1.293 0.928 1.000 0.880 CB 2.038 19 residues pruned to eliminate duplicates M: 18 46.468 2.417 0.836 0.907 0.941 0.706 CB 1.919 N: 17 45.416 2.453 0.725 0.934 1.000 1.000 CB 1.871 17 residues pruned to eliminate duplicates O: 15 36.257 2.365 0.594 0.937 1.000 0.929 CB 1.788 15 residues pruned to eliminate duplicates P: 16 35.668 2.421 0.406 0.920 1.000 0.933 CB 1.906 16 residues pruned to eliminate duplicates Q: 18 36.380 2.362 0.713 0.879 0.941 0.882 CB 1.679 R: 17 44.114 2.428 0.860 0.906 0.938 0.812 CB 1.852 17 residues pruned to eliminate duplicates S: 18 42.632 2.394 0.654 0.919 1.000 0.941 CB 1.840 18 residues pruned to eliminate duplicates T: 14 29.641 2.340 0.391 0.942 1.000 1.000 CB 1.751 14 residues pruned to eliminate duplicates U: 26 78.542 2.558 1.191 0.942 0.960 0.880 CB 2.024 26 residues pruned to eliminate duplicates V: 15 33.548 2.384 0.483 0.936 1.000 0.929 CB 1.766 15 residues pruned to eliminate duplicates W: 18 47.658 2.330 1.040 0.888 1.000 0.882 C 1.751 X: 26 73.590 2.551 1.175 0.934 0.960 0.800 CB 1.927 27 residues pruned to eliminate duplicates Y: 27 61.092 2.464 0.917 0.904 1.000 0.923 CB 1.806 27 residues pruned to eliminate duplicates Z: 18 34.886 2.392 0.367 0.936 1.000 0.941 CA 1.801 18 residues pruned to eliminate duplicates Z: 18 43.998 2.407 0.667 0.914 1.000 0.882 CB 1.881 18 residues pruned to eliminate duplicates Z: 18 53.811 2.346 1.176 0.916 1.000 0.941 CB 1.805 18 residues pruned to eliminate duplicates Z: 18 46.658 2.305 0.846 0.893 1.000 0.824 CA 1.910 Z: 16 42.464 2.416 0.674 0.893 1.000 0.933 CB 1.946 16 residues pruned to eliminate duplicates Z: 17 48.471 2.378 0.963 0.903 1.000 0.875 CB 1.851 18 residues pruned to eliminate duplicates Z: 18 41.437 2.427 0.597 0.940 1.000 0.824 CB 1.801 18 residues pruned to eliminate duplicates Z: 16 44.917 2.493 0.702 0.939 1.000 0.800 CA 1.900 16 residues pruned to eliminate duplicates Z: 26 81.202 2.521 1.267 0.938 1.000 0.760 CB 1.976 26 residues pruned to eliminate duplicates Z: 27 55.148 2.448 0.756 0.906 0.962 0.923 CB 1.861 27 residues pruned to eliminate duplicates Z: 10 18.712 2.356 0.346 0.697 0.889 0.333 CA 1.849 Z: 18 41.097 2.387 0.642 0.937 1.000 0.882 CB 1.770 18 residues pruned to eliminate duplicates Z: 27 67.843 2.448 1.285 0.913 0.962 0.769 CB 1.751 27 residues pruned to eliminate duplicates Z: 17 41.850 2.488 0.581 0.935 0.938 0.875 CB 1.977 17 residues pruned to eliminate duplicates Z: 27 62.230 2.480 1.024 0.899 0.923 0.846 CB 1.883 27 residues pruned to eliminate duplicates Z: 18 44.354 2.364 0.887 0.895 1.000 0.882 CB 1.730 18 residues pruned to eliminate duplicates Z: 18 43.362 2.360 0.852 0.911 1.000 0.941 CB 1.705 18 residues pruned to eliminate duplicates Z: 19 40.683 2.417 0.605 0.919 1.000 0.833 CB 1.742 19 residues pruned to eliminate duplicates Z: 27 63.301 2.451 0.951 0.910 0.962 0.885 CB 1.914 27 residues pruned to eliminate duplicates Z: 15 36.193 2.339 0.814 0.889 0.929 0.786 CB 1.768 15 residues pruned to eliminate duplicates Z: 27 74.025 2.444 1.223 0.927 0.962 0.808 CB 1.947 27 residues pruned to eliminate duplicates Z: 19 38.843 2.287 0.505 0.936 1.000 0.833 CB 1.853 19 residues pruned to eliminate duplicates Z: 27 48.330 2.475 0.648 0.879 0.923 0.846 CB 1.826 27 residues pruned to eliminate duplicates Z: 18 39.600 2.415 0.537 0.916 0.941 0.882 CA 1.943 18 residues pruned to eliminate duplicates Z: 17 39.355 2.438 0.657 0.904 1.000 0.875 CB 1.735 17 residues pruned to eliminate duplicates Z: 27 77.097 2.446 1.332 0.928 0.962 0.692 CB 1.931 27 residues pruned to eliminate duplicates Z: 18 47.898 2.358 0.847 0.940 1.000 0.882 CB 1.852 19 residues pruned to eliminate duplicates Z: 17 33.828 2.332 0.449 0.902 1.000 0.938 CA 1.785 17 residues pruned to eliminate duplicates Z: 18 42.648 2.412 0.674 0.912 0.941 0.765 C 1.927 18 residues pruned to eliminate duplicates Z: 18 45.475 2.391 0.945 0.927 1.000 0.941 CB 1.662 18 residues pruned to eliminate duplicates Z: 18 52.110 2.387 0.976 0.899 1.000 0.765 CA 1.915 17 residues pruned to eliminate duplicates Z: 17 40.637 2.495 0.492 0.931 1.000 0.938 CB 1.907 17 residues pruned to eliminate duplicates Z: 19 42.422 2.403 0.716 0.948 0.944 0.889 CB 1.774 19 residues pruned to eliminate duplicates Z: 17 49.447 2.488 0.761 0.943 1.000 0.938 CB 1.955 18 residues pruned to eliminate duplicates Z: 18 39.334 2.425 0.734 0.879 0.882 0.882 CB 1.865 18 residues pruned to eliminate duplicates Z: 19 44.337 2.429 0.642 0.953 1.000 0.944 CB 1.804 19 residues pruned to eliminate duplicates Z: 26 59.778 2.535 0.823 0.919 0.960 0.840 CB 1.899 26 residues pruned to eliminate duplicates Z: 12 21.921 2.245 0.377 0.907 0.909 0.727 CB 1.671 12 residues pruned to eliminate duplicates Z: 27 54.326 2.497 0.791 0.898 0.923 0.885 CB 1.846 27 residues pruned to eliminate duplicates Z: 26 66.263 2.552 0.794 0.940 1.000 1.000 CB 2.010 26 residues pruned to eliminate duplicates Z: 15 37.900 2.367 0.640 0.933 1.000 0.786 CB 1.821 15 residues pruned to eliminate duplicates Z: 18 38.844 2.410 0.683 0.880 0.941 0.882 CB 1.788 18 residues pruned to eliminate duplicates Z: 18 35.413 2.393 0.600 0.881 0.941 0.824 CB 1.726 18 residues pruned to eliminate duplicates Z: 17 38.108 2.378 0.541 0.891 1.000 1.000 CA 1.869 17 residues pruned to eliminate duplicates Z: 18 42.967 2.271 0.797 0.929 1.000 0.824 CB 1.787 18 residues pruned to eliminate duplicates Z: 12 21.915 2.300 0.261 0.887 1.000 0.727 CB 1.642 Z: 16 32.827 2.380 0.405 0.921 1.000 1.000 CB 1.783 Z: 17 44.922 2.450 0.748 0.947 1.000 0.938 CB 1.811 17 residues pruned to eliminate duplicates Z: 16 46.509 2.356 1.051 0.951 1.000 0.867 CB 1.713 16 residues pruned to eliminate duplicates Z: 19 39.607 2.366 0.505 0.929 1.000 0.944 CA 1.835 18 residues pruned to eliminate duplicates Z: 26 65.113 2.518 0.850 0.937 1.000 0.920 CB 1.945 26 residues pruned to eliminate duplicates Z: 17 32.380 2.356 0.444 0.938 1.000 0.938 CA 1.655 17 residues pruned to eliminate duplicates Z: 18 31.756 2.165 0.458 0.914 1.000 0.941 CA 1.725 17 residues pruned to eliminate duplicates Z: 18 39.049 2.332 0.597 0.932 1.000 0.882 CB 1.777 18 residues pruned to eliminate duplicates Z: 24 56.226 2.578 0.748 0.929 0.957 0.913 CB 1.903 24 residues pruned to eliminate duplicates Z: 18 45.683 2.400 0.948 0.900 1.000 0.824 CB 1.693 18 residues pruned to eliminate duplicates Z: 13 28.976 2.191 0.438 0.916 1.000 0.833 CB 1.874 13 residues pruned to eliminate duplicates Z: 18 33.047 2.361 0.479 0.904 1.000 1.000 CB 1.635 18 residues pruned to eliminate duplicates Z: 18 41.127 2.346 0.740 0.878 0.941 0.882 CB 1.883 18 residues pruned to eliminate duplicates Z: 18 40.542 2.372 0.810 0.926 0.941 0.882 CB 1.706 18 residues pruned to eliminate duplicates Z: 18 43.469 2.429 0.563 0.954 1.000 1.000 CB 1.910 18 residues pruned to eliminate duplicates Z: 19 39.010 2.288 0.543 0.885 1.000 0.889 CB 1.880 19 residues pruned to eliminate duplicates Z: 10 15.756 2.282 0.304 0.788 0.778 0.444 C 1.762 Z: 12 17.390 2.177 0.594 0.627 0.909 0.455 CA 1.475 10 residues pruned to eliminate duplicates Z: 16 37.693 2.408 0.453 0.935 1.000 1.000 CB 1.939 16 residues pruned to eliminate duplicates Z: 15 44.752 2.528 0.852 0.932 1.000 0.786 CB 1.783 15 residues pruned to eliminate duplicates Z: 27 67.125 2.445 1.008 0.901 1.000 0.923 CB 1.914 27 residues pruned to eliminate duplicates Z: 18 34.784 2.390 0.432 0.921 1.000 0.882 CB 1.734 18 residues pruned to eliminate duplicates Z: 26 75.909 2.518 1.099 0.963 1.000 0.960 CB 1.964 26 residues pruned to eliminate duplicates Z: 18 45.547 2.367 0.893 0.905 1.000 0.882 CB 1.755 18 residues pruned to eliminate duplicates Z: 18 45.086 2.399 0.716 0.906 1.000 0.824 CA 1.890 18 residues pruned to eliminate duplicates Z: 18 50.970 2.287 1.060 0.925 1.000 0.824 CA 1.842 18 residues pruned to eliminate duplicates Z: 17 40.170 2.378 0.611 0.909 1.000 0.875 CA 1.861 16 residues pruned to eliminate duplicates Z: 18 42.313 2.399 0.782 0.918 1.000 0.941 CB 1.694 18 residues pruned to eliminate duplicates Z: 17 33.834 2.443 0.436 0.909 1.000 0.938 CB 1.712 17 residues pruned to eliminate duplicates Z: 15 33.266 2.349 0.506 0.943 1.000 0.857 CB 1.741 15 residues pruned to eliminate duplicates Z: 16 38.866 2.391 0.672 0.909 1.000 1.000 CB 1.781 16 residues pruned to eliminate duplicates Z: 18 42.546 2.393 0.625 0.931 1.000 0.941 CB 1.854 18 residues pruned to eliminate duplicates Z: 27 70.662 2.457 1.071 0.903 1.000 0.808 CB 1.940 27 residues pruned to eliminate duplicates Z: 17 38.248 2.458 0.602 0.915 1.000 0.875 CB 1.716 17 residues pruned to eliminate duplicates Z: 26 74.674 2.527 1.096 0.929 1.000 0.680 CB 1.973 26 residues pruned to eliminate duplicates Z: 27 44.005 2.450 0.484 0.901 0.923 0.923 CB 1.836 27 residues pruned to eliminate duplicates Z: 17 35.551 2.377 0.690 0.896 0.938 0.812 CB 1.690 17 residues pruned to eliminate duplicates Z: 13 22.002 2.205 0.410 0.848 0.917 0.833 CA 1.654 13 residues pruned to eliminate duplicates Z: 19 40.330 2.275 0.555 0.916 1.000 0.722 CB 1.899 19 residues pruned to eliminate duplicates Z: 27 66.266 2.434 1.148 0.923 0.962 0.769 CB 1.817 27 residues pruned to eliminate duplicates Z: 7 11.349 1.790 0.224 0.838 1.000 0.667 CA 1.580 7 residues pruned to eliminate duplicates Z: 18 35.926 2.300 0.582 0.868 1.000 0.765 CB 1.749 18 residues pruned to eliminate duplicates Z: 27 66.781 2.431 1.230 0.912 0.962 0.808 CB 1.780 27 residues pruned to eliminate duplicates Z: 12 22.456 2.263 0.376 0.894 1.000 0.727 CB 1.560 12 residues pruned to eliminate duplicates Z: 17 38.924 2.427 0.659 0.921 1.000 0.938 CB 1.701 17 residues pruned to eliminate duplicates Z: 16 39.183 2.396 0.525 0.923 1.000 0.733 CA 1.946 16 residues pruned to eliminate duplicates Z: 17 42.479 2.476 0.511 0.936 1.000 0.938 CB 1.978 17 residues pruned to eliminate duplicates Z: 11 27.382 2.270 0.475 0.933 1.000 1.000 CB 1.804 Z: 17 47.575 2.480 0.685 0.939 1.000 1.000 CB 1.978 17 residues pruned to eliminate duplicates Z: 7 8.058 1.771 0.731 0.691 0.833 0.667 CA 1.081 Z: 14 18.843 2.135 0.134 0.943 1.000 0.846 CB 1.496 Z: 17 33.416 2.262 0.410 0.900 1.000 0.938 CA 1.871 17 residues pruned to eliminate duplicates Z: 22 38.967 2.442 0.555 0.787 0.905 0.857 CB 1.923 22 residues pruned to eliminate duplicates Z: 18 40.964 2.419 0.566 0.936 0.941 0.941 CB 1.941 18 residues pruned to eliminate duplicates Z: 16 34.150 2.406 0.357 0.927 1.000 1.000 CB 1.891 16 residues pruned to eliminate duplicates Z: 18 37.783 2.282 0.760 0.905 0.941 0.882 CB 1.726 18 residues pruned to eliminate duplicates Z: 18 47.174 2.411 1.001 0.878 0.941 0.824 CB 1.828 18 residues pruned to eliminate duplicates Z: 18 43.156 2.332 0.890 0.896 1.000 0.941 CB 1.701 18 residues pruned to eliminate duplicates Z: 27 43.954 2.440 0.514 0.932 0.923 0.885 CB 1.765 27 residues pruned to eliminate duplicates Z: 12 26.073 2.094 0.483 0.921 1.000 1.000 C 1.781 11 residues pruned to eliminate duplicates Z: 18 45.608 2.400 0.848 0.895 1.000 0.824 CB 1.788 18 residues pruned to eliminate duplicates Z: 18 54.331 2.436 0.925 0.942 1.000 0.824 CA 1.949 18 residues pruned to eliminate duplicates Z: 16 31.421 2.326 0.452 0.922 1.000 1.000 CB 1.689 16 residues pruned to eliminate duplicates Z: 27 61.025 2.461 0.918 0.896 0.962 0.885 CB 1.889 27 residues pruned to eliminate duplicates Z: 18 44.086 2.381 0.682 0.938 1.000 0.941 CB 1.857 18 residues pruned to eliminate duplicates Z: 27 77.688 2.468 1.298 0.925 0.962 0.731 CB 1.961 27 residues pruned to eliminate duplicates Z: 17 50.471 2.388 1.020 0.914 1.000 0.812 CB 1.850 17 residues pruned to eliminate duplicates Z: 8 8.192 1.759 0.287 0.728 0.857 0.571 CA 1.299 8 residues pruned to eliminate duplicates Z: 18 48.105 2.371 0.874 0.941 0.941 0.765 CA 1.936 18 residues pruned to eliminate duplicates Z: 17 39.921 2.335 0.917 0.894 0.938 0.938 CB 1.706 17 residues pruned to eliminate duplicates Z: 19 44.966 2.314 0.648 0.940 1.000 0.833 CB 1.931 19 residues pruned to eliminate duplicates Z: 26 60.101 2.538 0.750 0.924 1.000 0.800 CB 1.901 26 residues pruned to eliminate duplicates Z: 27 68.104 2.458 1.139 0.932 0.962 0.885 CB 1.845 27 residues pruned to eliminate duplicates Z: 17 38.565 2.432 0.682 0.911 1.000 0.875 CB 1.671 17 residues pruned to eliminate duplicates Z: 10 18.003 2.385 0.175 0.724 1.000 0.333 CA 1.749 12 residues pruned to eliminate duplicates Z: 15 32.996 2.346 0.501 0.935 1.000 0.857 CB 1.745 15 residues pruned to eliminate duplicates Z: 16 43.431 2.462 0.733 0.898 1.000 0.600 CB 1.880 16 residues pruned to eliminate duplicates Z: 17 47.137 2.371 0.958 0.935 1.000 0.938 CB 1.769 17 residues pruned to eliminate duplicates Z: 12 13.365 2.054 0.390 0.695 0.727 0.455 C 1.624 10 residues pruned to eliminate duplicates Z: 27 76.760 2.419 1.257 0.924 1.000 0.846 CB 1.936 27 residues pruned to eliminate duplicates Z: 18 47.048 2.426 0.758 0.941 1.000 0.824 CB 1.857 18 residues pruned to eliminate duplicates Z: 18 50.286 2.438 0.824 0.916 1.000 0.941 CB 1.937 18 residues pruned to eliminate duplicates Z: 17 40.198 2.487 0.498 0.922 1.000 0.875 CA 1.896 17 residues pruned to eliminate duplicates Z: 17 42.545 2.314 0.828 0.902 1.000 0.812 CB 1.793 17 residues pruned to eliminate duplicates Z: 12 19.223 2.280 0.415 0.842 0.818 0.545 CB 1.636 12 residues pruned to eliminate duplicates Z: 16 39.373 2.399 0.570 0.914 1.000 0.867 CB 1.908 16 residues pruned to eliminate duplicates Z: 18 49.056 2.419 0.746 0.929 1.000 0.882 CA 1.971 18 residues pruned to eliminate duplicates Z: 10 22.737 2.236 0.265 0.926 1.000 1.000 CB 1.879 10 residues pruned to eliminate duplicates Z: 27 64.754 2.426 1.119 0.916 1.000 0.731 CB 1.744 27 residues pruned to eliminate duplicates Z: 19 53.415 2.362 0.993 0.930 1.000 0.778 CB 1.870 19 residues pruned to eliminate duplicates Z: 17 45.133 2.492 0.583 0.954 1.000 0.875 CB 1.968 17 residues pruned to eliminate duplicates Z: 14 31.875 2.372 0.391 0.936 1.000 0.923 CB 1.866 14 residues pruned to eliminate duplicates Z: 11 20.845 2.191 0.403 0.853 0.900 0.800 C 1.761 11 residues pruned to eliminate duplicates Z: 19 48.372 2.398 0.695 0.905 1.000 0.889 CB 1.997 19 residues pruned to eliminate duplicates Z: 26 65.878 2.549 0.860 0.939 1.000 0.920 CB 1.930 26 residues pruned to eliminate duplicates Z: 7 12.181 2.165 0.002 0.882 1.000 0.833 CB 1.659 Z: 14 20.346 2.157 0.226 0.937 0.923 0.769 CB 1.608 14 residues pruned to eliminate duplicates Z: 19 35.342 2.310 0.549 0.826 0.944 0.833 CA 1.859 19 residues pruned to eliminate duplicates Z: 7 10.779 1.757 0.224 0.855 1.000 0.833 CA 1.511 7 residues pruned to eliminate duplicates Z: 15 36.072 2.357 0.610 0.938 1.000 0.929 CB 1.766 15 residues pruned to eliminate duplicates Z: 15 28.370 2.355 0.384 0.921 1.000 0.929 CB 1.637 15 residues pruned to eliminate duplicates Z: 11 28.865 2.170 0.718 0.932 1.000 0.900 C 1.710 11 residues pruned to eliminate duplicates Z: 12 16.653 1.847 0.396 0.895 1.000 0.727 CA 1.395 Z: 27 67.255 2.451 1.142 0.915 0.962 0.846 CB 1.848 27 residues pruned to eliminate duplicates Z: 17 36.339 2.483 0.484 0.934 0.938 0.812 CB 1.834 17 residues pruned to eliminate duplicates Z: 16 33.064 2.381 0.431 0.914 1.000 1.000 CB 1.773 16 residues pruned to eliminate duplicates Z: 16 55.938 2.364 1.305 0.941 1.000 0.667 CB 1.840 16 residues pruned to eliminate duplicates Z: 27 67.023 2.443 1.117 0.934 0.962 0.654 CB 1.843 27 residues pruned to eliminate duplicates Z: 18 29.960 2.369 0.349 0.883 1.000 0.824 CB 1.644 18 residues pruned to eliminate duplicates Z: 17 33.884 2.292 0.453 0.943 1.000 1.000 C 1.761 17 residues pruned to eliminate duplicates Z: 10 19.310 2.143 0.306 0.915 1.000 0.889 CA 1.626 12 residues pruned to eliminate duplicates Z: 14 19.045 2.145 0.192 0.910 0.923 0.769 CB 1.588 14 residues pruned to eliminate duplicates Z: 27 78.313 2.465 1.235 0.929 1.000 0.885 CB 1.951 27 residues pruned to eliminate duplicates Z: 15 20.131 2.042 0.256 0.888 1.000 0.857 CB 1.512 14 residues pruned to eliminate duplicates Z: 6 9.167 2.012 0.347 0.687 1.000 0.800 CB 1.274 Z: 18 37.402 2.364 0.530 0.913 0.941 0.824 CA 1.885 18 residues pruned to eliminate duplicates Z: 18 36.977 2.355 0.627 0.886 1.000 0.941 CB 1.689 18 residues pruned to eliminate duplicates Z: 27 61.172 2.364 1.088 0.893 0.962 0.923 CB 1.815 27 residues pruned to eliminate duplicates Z: 14 25.113 2.061 0.607 0.824 1.000 0.692 CB 1.588 12 residues pruned to eliminate duplicates Z: 10 16.077 2.090 0.287 0.909 0.889 0.889 CA 1.592 10 residues pruned to eliminate duplicates Z: 12 14.712 2.082 0.261 0.731 0.909 0.636 C 1.509 12 residues pruned to eliminate duplicates Z: 15 14.992 2.046 -0.023 0.899 1.000 0.857 CB 1.433 15 residues pruned to eliminate duplicates Z: 15 24.944 2.137 0.409 0.889 1.000 0.786 CB 1.594 15 residues pruned to eliminate duplicates Z: 10 24.500 2.178 0.695 0.920 1.000 0.778 C 1.558 10 residues pruned to eliminate duplicates Z: 28 61.249 2.395 1.051 0.875 1.000 0.815 CB 1.745 28 residues pruned to eliminate duplicates Z: 11 13.768 2.110 0.110 0.808 0.900 0.400 C 1.579 11 residues pruned to eliminate duplicates Z: 10 23.796 2.340 0.329 0.901 1.000 0.333 C 1.821 10 residues pruned to eliminate duplicates Z: 17 52.396 2.408 0.993 0.940 1.000 0.875 CB 1.895 17 residues pruned to eliminate duplicates Z: 17 47.417 2.404 0.922 0.932 1.000 1.000 CB 1.792 17 residues pruned to eliminate duplicates Z: 26 67.824 2.530 1.018 0.939 0.960 0.920 CB 1.924 26 residues pruned to eliminate duplicates Z: 12 30.781 2.360 0.667 0.868 1.000 0.818 CB 1.724 13 residues pruned to eliminate duplicates Z: 17 32.632 2.445 0.541 0.868 0.938 0.875 CB 1.689 17 residues pruned to eliminate duplicates Z: 13 26.550 2.201 0.623 0.825 1.000 0.667 CB 1.619 13 residues pruned to eliminate duplicates Z: 26 72.140 2.520 1.187 0.938 0.960 0.880 CB 1.896 26 residues pruned to eliminate duplicates Z: 8 4.712 2.058 0.244 0.555 0.429 0.429 CA 1.538 8 residues pruned to eliminate duplicates Z: 10 11.863 1.897 0.360 0.689 0.889 0.444 C 1.450 10 residues pruned to eliminate duplicates Z: 12 21.970 2.092 0.350 0.908 1.000 0.818 C 1.666 12 residues pruned to eliminate duplicates Z: 25 78.337 2.505 1.331 0.905 0.958 0.875 CB 2.033 25 residues pruned to eliminate duplicates Z: 7 7.497 2.075 -0.103 0.802 0.833 0.667 CA 1.515 7 residues pruned to eliminate duplicates Z: 15 39.417 2.358 0.743 0.944 1.000 0.786 CB 1.775 15 residues pruned to eliminate duplicates Z: 15 38.006 2.350 0.648 0.956 1.000 0.929 CB 1.802 15 residues pruned to eliminate duplicates Z: 18 42.035 2.383 0.535 0.931 1.000 0.941 CB 1.948 17 residues pruned to eliminate duplicates Z: 12 21.939 2.114 0.335 0.900 1.000 0.727 C 1.675 12 residues pruned to eliminate duplicates Z: 94 75.322 2.367 0.639 0.689 0.935 0.785 CB 1.809 82 residues pruned to eliminate duplicates Z: 18 31.320 2.340 0.361 0.888 1.000 0.941 CB 1.717 18 residues pruned to eliminate duplicates Z: 92 82.196 2.361 0.755 0.706 0.956 0.791 CB 1.803 88 residues pruned to eliminate duplicates Z: 16 35.502 2.388 0.461 0.920 1.000 1.000 CB 1.849 16 residues pruned to eliminate duplicates Z: 144 113.418 2.456 0.753 0.744 0.965 0.776 CB 1.836 128 residues pruned to eliminate duplicates Z: 52 61.856 2.387 0.762 0.696 0.941 0.725 CB 1.830 49 residues pruned to eliminate duplicates Z: 13 24.777 2.161 0.603 0.864 1.000 0.667 CB 1.513 13 residues pruned to eliminate duplicates Z: 18 47.189 2.371 0.775 0.933 1.000 1.000 CB 1.899 18 residues pruned to eliminate duplicates Z: 11 17.696 2.237 0.271 0.898 1.000 0.900 CB 1.409 11 residues pruned to eliminate duplicates Z: 18 52.855 2.367 0.974 0.942 1.000 0.824 CB 1.902 18 residues pruned to eliminate duplicates Z: 12 15.920 1.864 0.192 0.908 1.000 0.818 CA 1.535 12 residues pruned to eliminate duplicates Z: 185 108.790 2.380 0.609 0.700 0.962 0.712 CB 1.814 167 residues pruned to eliminate duplicates Z: 16 40.421 2.409 0.550 0.915 1.000 0.800 CA 1.976 16 residues pruned to eliminate duplicates Z: 13 13.792 2.022 0.183 0.712 0.833 0.667 CA 1.648 13 residues pruned to eliminate duplicates Z: 11 20.209 2.176 0.342 0.900 1.000 0.800 C 1.563 11 residues pruned to eliminate duplicates Z: 184 116.128 2.437 0.675 0.709 0.945 0.667 CB 1.840 168 residues pruned to eliminate duplicates Z: 11 24.307 2.222 0.340 0.930 1.000 0.900 CB 1.806 11 residues pruned to eliminate duplicates Z: 13 25.523 2.162 0.593 0.856 1.000 0.833 CB 1.578 13 residues pruned to eliminate duplicates Z: 6 5.755 1.903 -0.027 0.683 1.000 0.600 CB 1.176 Z: 8 6.910 1.704 -0.138 0.849 1.000 0.857 CB 1.318 8 residues pruned to eliminate duplicates Z: 7 10.293 1.877 0.104 0.851 1.000 0.667 CA 1.500 8 residues pruned to eliminate duplicates Z: 16 36.722 2.372 0.503 0.885 1.000 1.000 CA 1.921 16 residues pruned to eliminate duplicates Z: 92 76.323 2.359 0.738 0.695 0.923 0.736 CB 1.769 69 residues pruned to eliminate duplicates Z: 11 23.532 2.134 0.438 0.899 1.000 0.800 CA 1.734 11 residues pruned to eliminate duplicates Z: 13 21.790 2.173 0.382 0.832 1.000 0.750 CB 1.571 13 residues pruned to eliminate duplicates Z: 18 41.626 2.324 0.908 0.924 0.941 0.882 CB 1.699 18 residues pruned to eliminate duplicates Z: 14 19.701 2.016 0.375 0.839 1.000 0.769 CB 1.473 14 residues pruned to eliminate duplicates Z: 6 14.846 2.103 0.430 0.868 1.000 0.800 CB 1.614 6 residues pruned to eliminate duplicates Z: 11 17.393 2.233 0.305 0.892 1.000 0.800 CB 1.356 11 residues pruned to eliminate duplicates Z: 12 29.007 2.361 0.582 0.866 1.000 0.909 CB 1.713 12 residues pruned to eliminate duplicates Z: 26 78.491 2.559 1.200 0.930 0.960 0.920 CB 2.031 26 residues pruned to eliminate duplicates Z: 11 16.334 2.097 0.365 0.770 0.900 0.600 CA 1.579 11 residues pruned to eliminate duplicates Z: 16 47.091 2.423 0.835 0.905 1.000 1.000 CA 1.947 16 residues pruned to eliminate duplicates Z: 93 92.982 2.414 0.811 0.736 0.978 0.685 CB 1.833 93 residues pruned to eliminate duplicates Z: 16 46.612 2.403 0.884 0.935 1.000 0.867 CB 1.852 16 residues pruned to eliminate duplicates Z: 26 61.312 2.527 0.688 0.942 1.000 0.920 CB 1.994 26 residues pruned to eliminate duplicates Z: 17 47.538 2.451 1.150 0.934 0.938 0.812 CB 1.678 17 residues pruned to eliminate duplicates Z: 19 46.838 2.272 0.895 0.929 1.000 0.944 CA 1.795 19 residues pruned to eliminate duplicates Z: 7 11.559 1.983 0.067 0.868 1.000 0.833 C 1.631 7 residues pruned to eliminate duplicates Z: 8 11.273 1.975 0.071 0.770 1.000 0.571 CA 1.586 8 residues pruned to eliminate duplicates Z: 87 90.769 2.443 0.817 0.744 0.965 0.744 CB 1.836 87 residues pruned to eliminate duplicates Z: 16 43.411 2.372 0.826 0.944 1.000 1.000 CA 1.791 16 residues pruned to eliminate duplicates Z: 7 9.711 1.778 0.624 0.796 0.833 0.667 CA 1.272 7 residues pruned to eliminate duplicates Z: 38 41.066 2.355 0.639 0.573 0.946 0.649 CB 1.722 44 residues pruned to eliminate duplicates Z: 18 35.397 2.408 0.492 0.905 1.000 1.000 CB 1.701 18 residues pruned to eliminate duplicates Z: 16 23.637 1.963 0.601 0.895 0.933 0.600 CB 1.491 16 residues pruned to eliminate duplicates Z: 11 32.823 2.449 0.664 0.859 1.000 0.900 CB 1.875 11 residues pruned to eliminate duplicates Z: 30 44.040 2.261 0.819 0.701 0.897 0.655 CB 1.847 30 residues pruned to eliminate duplicates Z: 10 24.211 2.277 0.548 0.789 1.000 0.556 C 1.775 10 residues pruned to eliminate duplicates Z: 14 39.930 2.394 0.730 0.946 1.000 1.000 CB 1.849 14 residues pruned to eliminate duplicates Z: 18 54.634 2.371 1.067 0.922 1.000 0.706 CB 1.901 18 residues pruned to eliminate duplicates Z: 15 53.376 2.377 1.241 0.929 1.000 0.857 CA 1.874 15 residues pruned to eliminate duplicates Z: 9 21.184 2.228 0.328 0.912 1.000 0.625 CB 1.793 9 residues pruned to eliminate duplicates Z: 11 15.119 2.076 0.397 0.777 0.800 0.500 C 1.614 11 residues pruned to eliminate duplicates Z: 6 9.791 2.183 -0.093 0.886 1.000 0.800 CA 1.595 6 residues pruned to eliminate duplicates Z: 17 38.229 2.252 0.608 0.898 1.000 0.875 CB 1.888 17 residues pruned to eliminate duplicates Z: 12 17.056 2.026 0.477 0.750 0.909 0.545 C 1.513 12 residues pruned to eliminate duplicates Z: 10 15.405 2.096 0.192 0.915 0.889 0.889 CB 1.635 10 residues pruned to eliminate duplicates Z: 12 24.724 2.333 0.414 0.841 1.000 0.727 CB 1.686 12 residues pruned to eliminate duplicates Z: 16 39.226 2.412 0.563 0.905 1.000 0.867 CB 1.912 16 residues pruned to eliminate duplicates Z: 11 20.096 2.130 0.581 0.747 0.900 0.500 CA 1.682 11 residues pruned to eliminate duplicates Z: 7 12.895 2.102 0.139 0.909 1.000 0.833 CB 1.560 7 residues pruned to eliminate duplicates Z: 10 12.704 2.123 0.130 0.767 0.889 0.333 C 1.566 10 residues pruned to eliminate duplicates Z: 19 38.771 2.242 0.841 0.874 0.944 0.722 CA 1.706 19 residues pruned to eliminate duplicates Z: 10 12.297 2.192 -0.092 0.704 1.000 0.556 C 1.711 10 residues pruned to eliminate duplicates Z: 17 38.161 2.261 0.883 0.878 0.938 0.812 C 1.735 17 residues pruned to eliminate duplicates Z: 17 42.707 2.356 0.703 0.920 1.000 0.875 CA 1.874 17 residues pruned to eliminate duplicates Z: 31 37.668 2.224 0.769 0.609 0.933 0.700 CB 1.689 31 residues pruned to eliminate duplicates Z: 42 28.255 2.209 0.291 0.623 0.902 0.659 CB 1.526 42 residues pruned to eliminate duplicates Z: 56 70.223 2.428 0.708 0.754 0.964 0.764 CB 1.890 56 residues pruned to eliminate duplicates Z: 6 4.181 2.030 -0.182 0.544 0.800 0.800 CB 1.349 6 residues pruned to eliminate duplicates Z: 17 30.779 2.293 0.362 0.884 1.000 0.938 CA 1.781 17 residues pruned to eliminate duplicates Z: 17 33.769 2.427 0.488 0.917 1.000 1.000 CB 1.649 17 residues pruned to eliminate duplicates Z: 17 34.962 2.427 0.522 0.921 1.000 1.000 CB 1.666 17 residues pruned to eliminate duplicates Z: 18 37.956 2.407 0.735 0.918 0.941 0.882 CB 1.652 18 residues pruned to eliminate duplicates Z: 13 22.168 2.156 0.436 0.919 0.917 0.750 CB 1.589 13 residues pruned to eliminate duplicates Z: 12 20.637 2.053 0.429 0.846 0.909 0.818 CA 1.734 12 residues pruned to eliminate duplicates Z: 12 14.632 2.059 0.436 0.773 0.909 0.727 CB 1.289 12 residues pruned to eliminate duplicates Z: 16 43.679 2.544 0.680 0.932 1.000 0.933 CB 1.842 16 residues pruned to eliminate duplicates Z: 18 49.274 2.380 0.994 0.934 1.000 0.941 CB 1.756 18 residues pruned to eliminate duplicates Z: 26 74.199 2.538 1.233 0.941 0.960 0.800 CB 1.893 26 residues pruned to eliminate duplicates Z: 17 20.589 1.913 0.422 0.875 0.938 0.750 CB 1.469 17 residues pruned to eliminate duplicates Z: 38 39.435 2.348 0.604 0.568 0.946 0.568 CB 1.704 38 residues pruned to eliminate duplicates Z: 147 103.250 2.435 0.654 0.695 0.959 0.692 CB 1.851 147 residues pruned to eliminate duplicates Z: 166 110.501 2.437 0.708 0.703 0.933 0.721 CB 1.841 166 residues pruned to eliminate duplicates Z: 16 37.924 2.261 0.722 0.899 1.000 0.800 C 1.798 16 residues pruned to eliminate duplicates Z: 7 9.989 1.914 -0.004 0.805 1.000 1.000 CA 1.640 7 residues pruned to eliminate duplicates Z: 107 82.903 2.410 0.616 0.739 0.925 0.726 CB 1.805 107 residues pruned to eliminate duplicates Z: 15 21.577 1.986 0.383 0.903 1.000 0.714 CB 1.497 15 residues pruned to eliminate duplicates Z: 11 20.084 2.047 0.536 0.917 0.900 0.700 C 1.584 11 residues pruned to eliminate duplicates Z: 29 41.600 2.315 0.689 0.645 0.964 0.679 CB 1.820 29 residues pruned to eliminate duplicates Z: 14 21.974 2.164 0.322 0.931 0.923 0.846 CB 1.613 14 residues pruned to eliminate duplicates Z: 12 31.298 2.322 0.759 0.863 1.000 0.818 CB 1.695 12 residues pruned to eliminate duplicates Z: 16 41.210 2.387 0.653 0.933 1.000 0.867 CB 1.882 16 residues pruned to eliminate duplicates Z: 7 7.454 1.858 -0.167 0.789 1.000 0.667 CA 1.526 7 residues pruned to eliminate duplicates Z: 16 40.710 2.409 0.609 0.927 1.000 0.933 CB 1.901 16 residues pruned to eliminate duplicates Z: 41 33.642 2.215 0.361 0.640 0.975 0.600 CB 1.587 41 residues pruned to eliminate duplicates Z: 10 25.335 2.221 0.709 0.748 1.000 0.778 CA 1.784 10 residues pruned to eliminate duplicates Z: 10 16.888 2.151 0.142 0.914 1.000 0.778 CA 1.621 10 residues pruned to eliminate duplicates Z: 16 46.592 2.403 0.901 0.931 1.000 0.800 CB 1.841 16 residues pruned to eliminate duplicates Z: 10 13.297 1.989 0.309 0.796 0.889 0.667 CA 1.477 10 residues pruned to eliminate duplicates Z: 12 16.932 2.151 0.345 0.841 1.000 0.727 CB 1.316 12 residues pruned to eliminate duplicates Z: 29 45.740 2.292 0.941 0.669 0.929 0.679 CB 1.789 29 residues pruned to eliminate duplicates Z: 8 10.828 1.717 0.217 0.891 1.000 0.857 C 1.408 8 residues pruned to eliminate duplicates Z: 11 21.928 2.167 0.387 0.858 1.000 0.600 CB 1.699 11 residues pruned to eliminate duplicates Z: 38 44.756 2.358 0.677 0.591 0.973 0.703 CB 1.753 38 residues pruned to eliminate duplicates Z: 17 35.069 2.269 0.610 0.912 1.000 0.875 CB 1.700 17 residues pruned to eliminate duplicates Z: 16 21.085 1.909 0.470 0.898 1.000 0.800 CB 1.388 16 residues pruned to eliminate duplicates Z: 7 8.779 1.797 0.302 0.728 1.000 0.667 CB 1.247 7 residues pruned to eliminate duplicates Z: 18 41.246 2.371 0.670 0.908 1.000 0.882 CB 1.795 18 residues pruned to eliminate duplicates Z: 17 35.729 2.332 0.594 0.916 1.000 0.938 CB 1.697 17 residues pruned to eliminate duplicates Z: 26 80.838 2.528 1.333 0.943 1.000 0.840 CB 1.899 26 residues pruned to eliminate duplicates Z: 11 22.804 2.227 0.278 0.900 1.000 1.000 CB 1.810 11 residues pruned to eliminate duplicates Z: 12 13.833 2.069 0.304 0.829 1.000 0.909 CB 1.164 12 residues pruned to eliminate duplicates Z: 19 57.881 2.346 1.121 0.918 1.000 0.722 C 1.935 19 residues pruned to eliminate duplicates Z: 41 39.477 2.338 0.517 0.588 0.900 0.675 CB 1.796 41 residues pruned to eliminate duplicates Z: 34 41.393 2.345 0.601 0.617 0.970 0.727 CB 1.772 34 residues pruned to eliminate duplicates Z: 26 57.093 2.444 0.832 0.921 1.000 0.920 CB 1.795 26 residues pruned to eliminate duplicates Z: 18 36.962 2.235 0.720 0.822 1.000 0.941 CB 1.765 18 residues pruned to eliminate duplicates Z: 16 43.689 2.381 0.777 0.936 1.000 0.933 CB 1.857 16 residues pruned to eliminate duplicates Z: 15 32.534 2.254 0.896 0.803 0.929 0.929 CB 1.682 15 residues pruned to eliminate duplicates Z: 95 84.693 2.410 0.644 0.736 0.968 0.766 CB 1.843 95 residues pruned to eliminate duplicates Z: 35 27.475 2.130 0.394 0.619 0.941 0.588 CB 1.507 35 residues pruned to eliminate duplicates Z: 17 44.983 2.380 0.769 0.921 1.000 0.875 CA 1.881 17 residues pruned to eliminate duplicates Z: 27 69.644 2.399 1.045 0.926 1.000 0.769 CB 1.953 27 residues pruned to eliminate duplicates Z: 18 51.473 2.449 0.924 0.928 1.000 0.824 CB 1.855 18 residues pruned to eliminate duplicates Z: 27 62.274 2.460 0.859 0.908 1.000 0.923 CB 1.897 27 residues pruned to eliminate duplicates Z: 11 17.325 2.173 0.250 0.808 0.900 0.700 C 1.715 11 residues pruned to eliminate duplicates Z: 11 11.936 1.998 0.546 0.386 0.900 0.300 CA 1.533 11 residues pruned to eliminate duplicates Z: 17 55.370 2.380 1.131 0.924 1.000 0.688 CB 1.917 17 residues pruned to eliminate duplicates Z: 27 57.244 2.466 0.882 0.906 0.962 0.769 CB 1.789 27 residues pruned to eliminate duplicates Z: 26 52.738 2.437 0.626 0.929 1.000 0.880 CB 1.863 26 residues pruned to eliminate duplicates Z: 17 39.780 2.298 0.718 0.920 1.000 0.688 CB 1.773 17 residues pruned to eliminate duplicates Z: 28 28.705 2.177 0.529 0.658 0.926 0.704 CB 1.548 28 residues pruned to eliminate duplicates Z: 8 15.184 1.909 0.743 0.854 1.000 0.714 C 1.274 8 residues pruned to eliminate duplicates Z: 12 18.353 2.067 0.560 0.843 1.000 0.636 CB 1.278 12 residues pruned to eliminate duplicates Z: 13 12.085 2.088 0.092 0.649 0.833 0.833 CA 1.598 13 residues pruned to eliminate duplicates Z: 17 26.358 2.260 0.187 0.881 1.000 0.750 CB 1.779 17 residues pruned to eliminate duplicates Z: 7 3.656 1.657 -0.191 0.679 0.833 0.333 C 1.133 7 residues pruned to eliminate duplicates Z: 18 45.450 2.389 0.765 0.914 0.941 0.882 CA 1.965 18 residues pruned to eliminate duplicates Z: 14 38.368 2.261 0.762 0.942 1.000 0.923 C 1.853 14 residues pruned to eliminate duplicates Z: 7 8.259 2.017 0.121 0.749 0.833 0.667 C 1.434 7 residues pruned to eliminate duplicates Z: 15 42.079 2.376 0.785 0.928 1.000 0.786 CB 1.856 15 residues pruned to eliminate duplicates Z: 38 22.605 2.134 0.138 0.576 0.973 0.595 CB 1.462 38 residues pruned to eliminate duplicates Z: 131 99.546 2.411 0.720 0.706 0.954 0.762 CB 1.831 131 residues pruned to eliminate duplicates Z: 11 20.371 2.227 0.509 0.892 1.000 0.900 CB 1.377 11 residues pruned to eliminate duplicates Z: 17 34.425 2.186 0.576 0.938 1.000 0.938 CB 1.737 17 residues pruned to eliminate duplicates Z: 17 44.068 2.379 0.752 0.913 1.000 0.938 CA 1.871 17 residues pruned to eliminate duplicates Z: 16 31.144 2.278 0.397 0.915 1.000 0.800 C 1.786 16 residues pruned to eliminate duplicates Z: 11 22.542 2.098 0.526 0.911 1.000 0.700 C 1.578 11 residues pruned to eliminate duplicates Z: 12 15.459 2.052 0.368 0.818 1.000 0.818 CB 1.260 12 residues pruned to eliminate duplicates Z: 43 32.712 2.217 0.421 0.593 0.952 0.619 CB 1.538 43 residues pruned to eliminate duplicates Z: 145 107.294 2.411 0.703 0.745 0.965 0.757 CB 1.812 145 residues pruned to eliminate duplicates Z: 9 13.966 2.227 0.542 0.555 0.750 0.500 CA 1.817 9 residues pruned to eliminate duplicates Z: 89 79.911 2.344 0.833 0.701 0.943 0.648 CB 1.750 89 residues pruned to eliminate duplicates Z: 26 72.407 2.512 0.988 0.942 1.000 0.880 CB 2.011 26 residues pruned to eliminate duplicates Z: 11 9.856 2.147 -0.134 0.639 0.900 0.700 CB 1.634 11 residues pruned to eliminate duplicates Z: 19 30.134 2.221 0.531 0.875 1.000 0.833 CB 1.519 19 residues pruned to eliminate duplicates Z: 18 41.933 2.372 0.708 0.905 1.000 0.941 CA 1.787 18 residues pruned to eliminate duplicates Z: 14 34.982 2.340 0.634 0.930 1.000 0.846 CB 1.774 14 residues pruned to eliminate duplicates Z: 90 88.012 2.426 0.770 0.715 0.966 0.697 CB 1.851 90 residues pruned to eliminate duplicates Z: 17 37.833 2.458 0.535 0.926 1.000 0.938 CB 1.757 17 residues pruned to eliminate duplicates Z: 6 2.793 1.603 0.456 0.291 0.600 0.400 CB 1.128 Z: 17 40.194 2.322 0.908 0.878 0.875 0.688 CA 1.880 17 residues pruned to eliminate duplicates Z: 17 43.792 2.399 0.812 0.913 0.938 0.875 CB 1.901 17 residues pruned to eliminate duplicates Z: 18 33.972 2.079 1.108 0.890 0.824 0.706 CB 1.642 18 residues pruned to eliminate duplicates Z: 6 7.738 2.082 -0.042 0.735 1.000 0.400 CA 1.405 6 residues pruned to eliminate duplicates Z: 19 38.529 2.237 0.648 0.926 1.000 0.944 CB 1.727 19 residues pruned to eliminate duplicates Z: 10 22.924 2.228 0.650 0.794 0.889 0.444 C 1.807 10 residues pruned to eliminate duplicates Z: 12 15.525 2.055 0.186 0.787 0.909 0.818 C 1.640 12 residues pruned to eliminate duplicates Z: 38 37.429 2.287 0.499 0.569 0.973 0.730 CB 1.725 38 residues pruned to eliminate duplicates Z: 17 39.437 2.297 0.786 0.902 1.000 0.812 CB 1.714 17 residues pruned to eliminate duplicates Z: 16 33.755 2.385 0.460 0.926 1.000 0.867 CB 1.755 16 residues pruned to eliminate duplicates Z: 18 44.388 2.349 0.726 0.913 1.000 0.941 CA 1.879 18 residues pruned to eliminate duplicates Z: 12 17.459 2.123 0.391 0.880 1.000 0.636 CB 1.292 12 residues pruned to eliminate duplicates Z: 16 31.340 2.225 0.619 0.897 0.933 0.867 CA 1.723 16 residues pruned to eliminate duplicates Z: 26 74.857 2.507 1.108 0.934 1.000 0.880 CB 1.976 26 residues pruned to eliminate duplicates Z: 95 92.559 2.404 0.811 0.729 0.968 0.723 CB 1.843 95 residues pruned to eliminate duplicates Z: 15 25.513 2.057 0.569 0.925 1.000 0.714 CB 1.483 15 residues pruned to eliminate duplicates Z: 42 60.513 2.405 0.822 0.772 0.951 0.732 CB 1.783 42 residues pruned to eliminate duplicates Z: 65 69.833 2.359 0.699 0.743 0.969 0.812 CB 1.808 65 residues pruned to eliminate duplicates Z: 19 33.135 2.319 0.432 0.897 0.944 0.833 CB 1.783 19 residues pruned to eliminate duplicates Z: 13 29.221 2.180 0.651 0.939 1.000 0.833 CB 1.629 13 residues pruned to eliminate duplicates Z: 11 12.477 1.965 0.810 0.524 0.800 0.700 CA 1.354 11 residues pruned to eliminate duplicates Z: 10 19.969 2.130 0.385 0.892 1.000 0.889 C 1.620 10 residues pruned to eliminate duplicates Z: 119 95.539 2.403 0.742 0.704 0.966 0.703 CB 1.807 119 residues pruned to eliminate duplicates Z: 43 46.370 2.379 0.627 0.574 0.952 0.571 CB 1.808 43 residues pruned to eliminate duplicates Z: 7 8.477 1.961 0.087 0.873 1.000 0.667 CB 1.182 7 residues pruned to eliminate duplicates Z: 25 85.188 2.557 1.300 0.933 1.000 0.750 CB 2.064 25 residues pruned to eliminate duplicates Z: 129 99.712 2.414 0.681 0.728 0.961 0.766 CB 1.840 129 residues pruned to eliminate duplicates Z: 96 89.982 2.396 0.771 0.721 0.968 0.705 CB 1.841 36 residues pruned to eliminate duplicates Z: 11 19.346 2.231 0.437 0.885 1.000 0.900 CB 1.378 11 residues pruned to eliminate duplicates Z: 41 54.561 2.330 0.726 0.759 0.925 0.825 CB 1.842 41 residues pruned to eliminate duplicates Z: 19 38.374 2.258 0.666 0.885 0.944 0.889 CB 1.839 19 residues pruned to eliminate duplicates Z: 41 59.246 2.408 0.819 0.759 0.950 0.750 CB 1.788 41 residues pruned to eliminate duplicates Z: 11 21.633 2.156 0.535 0.781 1.000 0.600 C 1.614 11 residues pruned to eliminate duplicates Z: 17 36.307 2.437 0.395 0.919 1.000 0.938 CB 1.881 17 residues pruned to eliminate duplicates Z: 16 50.609 2.362 1.081 0.931 1.000 0.933 CA 1.857 16 residues pruned to eliminate duplicates Z: 13 29.334 2.127 0.799 0.838 1.000 0.833 CB 1.654 13 residues pruned to eliminate duplicates Z: 17 19.325 2.164 0.565 0.426 0.938 0.562 CB 1.643 17 residues pruned to eliminate duplicates Z: 121 102.124 2.447 0.741 0.741 0.967 0.725 CB 1.825 121 residues pruned to eliminate duplicates Z: 15 32.692 2.288 0.553 0.912 1.000 0.714 CB 1.742 15 residues pruned to eliminate duplicates Z: 42 36.307 2.240 0.481 0.605 0.951 0.585 CB 1.626 42 residues pruned to eliminate duplicates Z: 15 35.000 2.263 0.657 0.891 1.000 0.643 C 1.793 15 residues pruned to eliminate duplicates Z: 17 49.016 2.419 0.783 0.915 1.000 0.875 CB 2.008 17 residues pruned to eliminate duplicates Z: 15 35.395 2.274 0.691 0.904 1.000 0.643 CB 1.753 15 residues pruned to eliminate duplicates Z: 11 8.727 1.702 0.205 0.608 0.900 0.500 CA 1.350 11 residues pruned to eliminate duplicates Z: 17 37.351 2.424 0.582 0.925 1.000 1.000 CB 1.709 17 residues pruned to eliminate duplicates Z: 17 35.023 2.437 0.356 0.934 1.000 0.938 CB 1.847 17 residues pruned to eliminate duplicates Z: 58 66.478 2.413 0.699 0.691 0.965 0.667 CB 1.870 58 residues pruned to eliminate duplicates Z: 154 112.783 2.448 0.770 0.716 0.948 0.719 CB 1.826 122 residues pruned to eliminate duplicates Z: 26 43.307 2.311 0.710 0.699 0.960 0.760 CB 1.904 26 residues pruned to eliminate duplicates Z: 91 88.309 2.422 0.792 0.724 0.978 0.678 CB 1.793 97 residues pruned to eliminate duplicates Z: 16 41.229 2.450 0.499 0.944 1.000 0.933 CB 2.007 16 residues pruned to eliminate duplicates Z: 90 76.724 2.421 0.604 0.699 0.966 0.719 CB 1.808 90 residues pruned to eliminate duplicates Z: 182 120.447 2.449 0.720 0.705 0.950 0.724 CB 1.856 179 residues pruned to eliminate duplicates Z: 16 36.799 2.397 0.502 0.921 1.000 0.933 CB 1.858 16 residues pruned to eliminate duplicates Z: 35 58.171 2.430 0.865 0.757 0.971 0.794 CB 1.806 35 residues pruned to eliminate duplicates Z: 8 11.549 1.800 0.429 0.895 1.000 0.857 CB 1.217 8 residues pruned to eliminate duplicates Z: 89 93.710 2.445 0.882 0.729 0.966 0.693 CB 1.829 89 residues pruned to eliminate duplicates Z: 31 34.803 2.229 0.503 0.669 0.900 0.700 CA 1.802 31 residues pruned to eliminate duplicates Z: 13 41.614 2.368 0.996 0.914 1.000 0.917 C 1.798 13 residues pruned to eliminate duplicates Z: 7 6.069 1.768 -0.032 0.765 1.000 0.667 CA 1.145 7 residues pruned to eliminate duplicates Z: 17 14.482 2.076 0.388 0.445 0.938 0.500 CB 1.419 17 residues pruned to eliminate duplicates Z: 143 117.170 2.450 0.849 0.745 0.958 0.761 CB 1.821 143 residues pruned to eliminate duplicates Z: 16 25.726 1.959 0.780 0.896 0.933 0.733 CB 1.461 16 residues pruned to eliminate duplicates Z: 9 4.614 1.834 0.151 0.447 0.750 0.625 CB 1.088 9 residues pruned to eliminate duplicates Z: 12 22.712 2.038 0.599 0.831 0.909 0.818 C 1.737 12 residues pruned to eliminate duplicates Z: 65 67.842 2.391 0.596 0.750 0.969 0.844 CB 1.836 65 residues pruned to eliminate duplicates Z: 34 57.697 2.380 0.798 0.751 0.970 0.788 CB 1.935 34 residues pruned to eliminate duplicates Z: 110 97.583 2.425 0.778 0.708 0.991 0.725 CB 1.812 110 residues pruned to eliminate duplicates Z: 17 39.673 2.382 0.666 0.925 0.938 0.938 CB 1.870 17 residues pruned to eliminate duplicates Z: 84 91.776 2.434 0.861 0.736 0.964 0.723 CB 1.867 84 residues pruned to eliminate duplicates Z: 65 71.316 2.469 0.671 0.706 0.969 0.734 CB 1.849 65 residues pruned to eliminate duplicates Z: 16 30.951 2.366 0.358 0.919 1.000 0.933 CB 1.754 16 residues pruned to eliminate duplicates Z: 19 36.053 2.358 0.640 0.817 0.944 0.889 CB 1.767 19 residues pruned to eliminate duplicates Z: 11 18.508 2.162 0.286 0.780 1.000 0.500 C 1.644 11 residues pruned to eliminate duplicates Z: 146 117.493 2.438 0.815 0.729 0.959 0.738 CB 1.872 146 residues pruned to eliminate duplicates Z: 18 45.182 2.380 0.911 0.931 1.000 0.882 CB 1.683 18 residues pruned to eliminate duplicates Z: 17 13.611 1.960 0.513 0.495 0.875 0.500 CB 1.317 17 residues pruned to eliminate duplicates Z: 18 38.905 2.322 0.609 0.919 1.000 0.765 CB 1.779 18 residues pruned to eliminate duplicates Z: 17 35.747 2.168 0.673 0.900 1.000 0.938 CA 1.760 17 residues pruned to eliminate duplicates Z: 18 42.732 2.305 0.754 0.923 1.000 0.824 CA 1.802 18 residues pruned to eliminate duplicates Z: 112 85.825 2.393 0.633 0.711 0.964 0.730 CB 1.786 112 residues pruned to eliminate duplicates Z: 58 69.026 2.423 0.750 0.769 0.965 0.807 CB 1.760 58 residues pruned to eliminate duplicates Z: 11 25.206 2.172 0.442 0.928 1.000 0.800 CB 1.783 Z: 9 9.705 2.113 0.309 0.437 0.875 0.500 CB 1.513 9 residues pruned to eliminate duplicates Z: 129 112.526 2.429 0.824 0.744 0.977 0.758 CB 1.847 129 residues pruned to eliminate duplicates Z: 41 46.626 2.358 0.627 0.598 0.950 0.550 CB 1.841 41 residues pruned to eliminate duplicates Z: 9 16.035 2.023 0.286 0.855 1.000 0.750 C 1.608 9 residues pruned to eliminate duplicates Z: 12 18.803 1.994 0.507 0.868 1.000 0.818 CB 1.379 12 residues pruned to eliminate duplicates Z: 32 46.656 2.281 0.666 0.734 0.968 0.839 CB 1.846 32 residues pruned to eliminate duplicates Z: 9 11.999 1.942 0.414 0.741 0.875 0.500 CA 1.423 9 residues pruned to eliminate duplicates Z: 16 54.245 2.556 1.001 0.937 1.000 0.867 CB 1.906 16 residues pruned to eliminate duplicates Z: 6 14.591 2.078 0.636 0.762 1.000 0.800 CA 1.521 19 residues pruned to eliminate duplicates Z: 77 88.496 2.430 0.874 0.723 0.987 0.671 CB 1.847 23 residues pruned to eliminate duplicates Z: 97 69.203 2.328 0.650 0.660 0.917 0.698 CB 1.729 97 residues pruned to eliminate duplicates Z: 156 111.459 2.442 0.713 0.690 0.974 0.716 CB 1.847 156 residues pruned to eliminate duplicates Z: 59 52.485 2.309 0.485 0.702 0.966 0.672 CB 1.732 59 residues pruned to eliminate duplicates Z: 6 6.370 1.808 0.218 0.612 0.800 0.600 C 1.455 6 residues pruned to eliminate duplicates Z: 8 13.750 1.787 0.339 0.904 1.000 0.857 N 1.548 8 residues pruned to eliminate duplicates Z: 26 44.476 2.410 0.677 0.695 0.960 0.680 CB 1.918 26 residues pruned to eliminate duplicates Z: 16 39.983 2.483 0.715 0.808 1.000 0.933 CA 1.853 16 residues pruned to eliminate duplicates Z: 21 28.813 2.099 0.639 0.682 1.000 0.700 CB 1.585 21 residues pruned to eliminate duplicates Z: 33 41.634 2.290 0.615 0.641 1.000 0.625 CB 1.745 33 residues pruned to eliminate duplicates Z: 71 65.799 2.359 0.737 0.667 0.943 0.657 CB 1.744 71 residues pruned to eliminate duplicates Z: 16 17.604 2.163 0.491 0.455 1.000 0.600 CB 1.476 16 residues pruned to eliminate duplicates Z: 17 39.198 2.473 0.475 0.889 1.000 0.750 CB 1.935 17 residues pruned to eliminate duplicates Z: 19 31.316 2.222 0.440 0.907 1.000 0.889 CB 1.640 19 residues pruned to eliminate duplicates Z: 66 77.879 2.377 0.827 0.755 0.985 0.785 CB 1.800 66 residues pruned to eliminate duplicates Z: 14 19.493 2.108 0.093 0.928 1.000 0.923 CB 1.643 14 residues pruned to eliminate duplicates Z: 8 10.167 1.904 0.421 0.627 1.000 1.000 CA 1.260 8 residues pruned to eliminate duplicates Z: 22 28.755 2.195 0.560 0.645 0.952 0.714 CB 1.680 22 residues pruned to eliminate duplicates Z: 132 115.829 2.472 0.812 0.750 0.969 0.771 CB 1.864 132 residues pruned to eliminate duplicates Z: 34 50.278 2.369 0.601 0.748 0.970 0.818 CB 1.908 34 residues pruned to eliminate duplicates Z: 60 73.898 2.476 0.803 0.694 0.966 0.712 CB 1.869 60 residues pruned to eliminate duplicates Z: 19 17.158 2.097 0.513 0.451 1.000 0.611 CB 1.341 19 residues pruned to eliminate duplicates Z: 114 97.597 2.454 0.731 0.720 0.965 0.726 CB 1.836 114 residues pruned to eliminate duplicates Z: 59 54.660 2.371 0.645 0.623 0.948 0.552 CB 1.727 59 residues pruned to eliminate duplicates Z: 43 64.070 2.455 0.829 0.724 0.976 0.810 CB 1.843 43 residues pruned to eliminate duplicates Z: 20 42.310 2.393 0.694 0.770 1.000 0.789 CB 1.886 20 residues pruned to eliminate duplicates Z: 22 58.228 2.472 1.125 0.890 0.952 0.667 CB 1.827 19 residues pruned to eliminate duplicates Z: 12 32.028 2.484 0.511 0.848 1.000 1.000 CA 1.908 12 residues pruned to eliminate duplicates Z: 21 34.045 2.378 0.705 0.593 0.900 0.750 C 1.910 21 residues pruned to eliminate duplicates Z: 80 84.649 2.408 0.801 0.722 0.975 0.747 CB 1.844 80 residues pruned to eliminate duplicates Z: 6 11.924 2.123 0.215 0.866 1.000 0.800 CB 1.512 6 residues pruned to eliminate duplicates Z: 157 110.034 2.433 0.713 0.681 0.962 0.724 CB 1.862 157 residues pruned to eliminate duplicates 7 0.647 1.023 -0.122 0.329 0.500 0.333 C 0.709 ? Z: 35 40.510 2.316 0.544 0.659 0.941 0.676 CB 1.781 35 residues pruned to eliminate duplicates Z: 62 83.683 2.434 0.944 0.761 0.967 0.721 CB 1.856 62 residues pruned to eliminate duplicates Z: 10 19.655 2.126 0.359 0.914 1.000 0.889 CA 1.604 10 residues pruned to eliminate duplicates Z: 12 22.534 2.192 0.416 0.872 1.000 0.636 CB 1.595 12 residues pruned to eliminate duplicates Z: 36 51.232 2.277 0.887 0.703 0.943 0.629 CB 1.776 36 residues pruned to eliminate duplicates Z: 92 82.019 2.398 0.723 0.699 0.956 0.714 CB 1.815 92 residues pruned to eliminate duplicates Z: 100 94.947 2.449 0.784 0.721 0.980 0.727 CB 1.825 100 residues pruned to eliminate duplicates Z: 17 31.733 2.331 0.302 0.904 1.000 0.875 CB 1.862 17 residues pruned to eliminate duplicates Z: 119 88.710 2.391 0.703 0.670 0.966 0.695 CB 1.775 119 residues pruned to eliminate duplicates Z: 143 112.066 2.440 0.748 0.752 0.965 0.711 CB 1.825 143 residues pruned to eliminate duplicates Z: 12 17.522 2.058 0.115 0.914 1.000 1.000 CB 1.628 12 residues pruned to eliminate duplicates Z: 118 84.785 2.375 0.688 0.658 0.957 0.675 CB 1.764 118 residues pruned to eliminate duplicates Z: 20 18.667 2.197 0.402 0.449 0.895 0.632 CB 1.637 20 residues pruned to eliminate duplicates Z: 17 14.773 2.058 0.457 0.472 0.812 0.500 CB 1.560 17 residues pruned to eliminate duplicates Z: 9 9.449 1.978 0.302 0.698 0.750 0.500 CA 1.444 9 residues pruned to eliminate duplicates Z: 48 71.225 2.408 1.042 0.723 0.957 0.766 CB 1.804 48 residues pruned to eliminate duplicates Z: 19 30.136 2.257 0.381 0.907 1.000 0.944 CA 1.620 19 residues pruned to eliminate duplicates Z: 136 91.789 2.362 0.680 0.682 0.941 0.696 CB 1.790 136 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 58 46.787 2.276 0.475 0.621 0.947 0.667 CB 1.739 59 residues pruned to eliminate duplicates Z: 6 5.997 1.979 0.610 0.309 0.800 0.400 CA 1.301 6 residues pruned to eliminate duplicates Z: 29 25.733 2.173 0.318 0.607 1.000 0.679 CB 1.535 29 residues pruned to eliminate duplicates Z: 57 53.215 2.277 0.640 0.667 0.946 0.625 CB 1.724 57 residues pruned to eliminate duplicates Z: 29 27.509 2.178 0.320 0.659 1.000 0.643 CB 1.560 28 residues pruned to eliminate duplicates Z: 7 11.342 2.009 0.467 0.512 1.000 0.667 CB 1.553 7 residues pruned to eliminate duplicates Z: 44 30.530 2.137 0.389 0.583 0.930 0.605 CB 1.557 44 residues pruned to eliminate duplicates Z: 42 32.938 2.231 0.404 0.609 0.927 0.634 CB 1.599 42 residues pruned to eliminate duplicates Z: 55 47.139 2.205 0.654 0.614 0.944 0.593 CB 1.671 55 residues pruned to eliminate duplicates Z: 7 10.442 2.031 0.288 0.521 1.000 0.667 CA 1.596 7 residues pruned to eliminate duplicates Z: 28 29.800 2.202 0.460 0.639 1.000 0.556 CB 1.566 28 residues pruned to eliminate duplicates Z: 31 27.761 2.178 0.471 0.607 0.967 0.667 CB 1.478 31 residues pruned to eliminate duplicates Z: 44 33.987 2.188 0.457 0.582 0.930 0.512 CB 1.615 44 residues pruned to eliminate duplicates Z: 100 72.008 2.312 0.593 0.655 0.960 0.717 CB 1.772 100 residues pruned to eliminate duplicates Z: 29 30.205 2.163 0.427 0.681 1.000 0.643 CB 1.566 29 residues pruned to eliminate duplicates Z: 14 28.048 2.159 0.632 0.916 1.000 0.769 CB 1.559 14 residues pruned to eliminate duplicates Z: 57 50.824 2.275 0.611 0.679 0.929 0.607 CB 1.693 57 residues pruned to eliminate duplicates Z: 57 52.411 2.268 0.653 0.657 0.964 0.589 CB 1.674 57 residues pruned to eliminate duplicates Z: 58 52.423 2.264 0.597 0.685 0.947 0.596 CB 1.711 58 residues pruned to eliminate duplicates Z: 14 26.017 2.173 0.442 0.935 1.000 0.769 CB 1.605 14 residues pruned to eliminate duplicates Z: 107 81.935 2.342 0.640 0.696 0.981 0.708 CB 1.766 107 residues pruned to eliminate duplicates Z: 29 24.968 2.134 0.319 0.638 0.964 0.643 CB 1.527 29 residues pruned to eliminate duplicates Z: 43 35.503 2.219 0.486 0.586 0.952 0.500 CB 1.606 43 residues pruned to eliminate duplicates Z: 13 21.302 2.200 0.235 0.928 1.000 0.833 CB 1.586 13 residues pruned to eliminate duplicates Z: 42 34.830 2.244 0.362 0.619 0.976 0.585 CB 1.631 42 residues pruned to eliminate duplicates Z: 44 33.867 2.220 0.443 0.594 0.930 0.605 CB 1.583 44 residues pruned to eliminate duplicates Z: 20 18.981 1.954 0.548 0.716 0.842 0.474 CB 1.406 20 residues pruned to eliminate duplicates Z: 61 51.632 2.225 0.609 0.644 0.967 0.600 CB 1.683 61 residues pruned to eliminate duplicates Z: 7 12.100 2.152 0.308 0.647 1.000 0.667 CA 1.530 7 residues pruned to eliminate duplicates Z: 59 46.889 2.239 0.544 0.663 0.931 0.603 CB 1.646 59 residues pruned to eliminate duplicates Z: 57 53.320 2.274 0.636 0.664 0.964 0.643 CB 1.706 57 residues pruned to eliminate duplicates Z: 18 16.891 2.153 0.542 0.446 0.824 0.412 CB 1.584 18 residues pruned to eliminate duplicates Z: 43 31.267 2.203 0.375 0.593 0.929 0.595 CB 1.569 43 residues pruned to eliminate duplicates Z: 17 14.934 2.096 0.328 0.481 0.812 0.438 CB 1.683 17 residues pruned to eliminate duplicates Z: 58 50.820 2.289 0.571 0.662 0.965 0.614 CB 1.670 58 residues pruned to eliminate duplicates Z: 11 22.302 2.154 0.533 0.723 1.000 0.400 CA 1.746 11 residues pruned to eliminate duplicates Z: 14 20.138 2.331 0.449 0.548 0.846 0.231 CB 1.865 14 residues pruned to eliminate duplicates Z: 107 76.392 2.348 0.558 0.683 0.972 0.651 CB 1.765 107 residues pruned to eliminate duplicates Z: 30 48.869 2.337 0.868 0.696 0.931 0.655 CB 1.866 30 residues pruned to eliminate duplicates Z: 58 53.933 2.290 0.571 0.679 0.982 0.632 CB 1.715 58 residues pruned to eliminate duplicates Z: 16 45.820 2.429 0.888 0.869 1.000 0.933 CA 1.884 16 residues pruned to eliminate duplicates Z: 17 45.676 2.327 1.060 0.822 1.000 0.812 CA 1.802 17 residues pruned to eliminate duplicates Z: 17 46.882 2.343 0.956 0.887 1.000 1.000 CA 1.844 17 residues pruned to eliminate duplicates Z: 57 69.248 2.394 0.711 0.753 0.982 0.750 CB 1.836 57 residues pruned to eliminate duplicates Z: 16 45.683 2.416 0.922 0.880 0.933 0.933 CA 1.971 16 residues pruned to eliminate duplicates Z: 18 38.297 2.356 0.750 0.830 0.941 0.941 CA 1.799 18 residues pruned to eliminate duplicates Z: 142 113.120 2.445 0.704 0.753 0.965 0.738 CB 1.892 142 residues pruned to eliminate duplicates Z: 18 43.109 2.327 0.859 0.828 1.000 0.941 CA 1.819 18 residues pruned to eliminate duplicates Z: 17 40.174 2.322 0.906 0.814 0.938 0.875 CB 1.842 17 residues pruned to eliminate duplicates Z: 19 41.192 2.310 0.819 0.780 1.000 0.944 CA 1.804 19 residues pruned to eliminate duplicates Z: 144 110.513 2.430 0.693 0.746 0.972 0.748 CB 1.855 144 residues pruned to eliminate duplicates Z: 145 112.657 2.439 0.692 0.745 0.993 0.771 CB 1.840 129 residues pruned to eliminate duplicates Z: 18 45.664 2.352 0.792 0.916 1.000 0.824 CB 1.856 18 residues pruned to eliminate duplicates Z: 143 106.399 2.439 0.629 0.744 0.965 0.718 CB 1.872 143 residues pruned to eliminate duplicates Z: 40 57.631 2.445 0.701 0.721 0.949 0.769 CB 1.915 40 residues pruned to eliminate duplicates Z: 105 96.258 2.438 0.700 0.743 0.981 0.702 CB 1.868 105 residues pruned to eliminate duplicates Z: 66 78.631 2.426 0.749 0.763 1.000 0.769 CB 1.820 66 residues pruned to eliminate duplicates Z: 108 92.366 2.423 0.701 0.722 0.972 0.748 CB 1.824 108 residues pruned to eliminate duplicates Z: 142 108.367 2.448 0.634 0.749 0.979 0.766 CB 1.867 142 residues pruned to eliminate duplicates Z: 91 86.567 2.413 0.762 0.703 0.967 0.756 CB 1.846 91 residues pruned to eliminate duplicates Z: 135 110.410 2.439 0.778 0.740 0.970 0.754 CB 1.829 135 residues pruned to eliminate duplicates Z: 142 113.914 2.441 0.724 0.745 0.972 0.702 CB 1.885 142 residues pruned to eliminate duplicates Z: 155 111.177 2.442 0.660 0.730 0.955 0.740 CB 1.882 155 residues pruned to eliminate duplicates Z: 55 73.050 2.440 0.745 0.770 0.981 0.722 CB 1.873 55 residues pruned to eliminate duplicates Z: 127 106.395 2.452 0.727 0.727 0.976 0.738 CB 1.869 127 residues pruned to eliminate duplicates Z: 142 110.726 2.445 0.722 0.748 0.965 0.752 CB 1.841 142 residues pruned to eliminate duplicates Z: 129 101.809 2.430 0.708 0.717 0.961 0.742 CB 1.854 129 residues pruned to eliminate duplicates Z: 142 108.728 2.433 0.673 0.745 0.979 0.766 CB 1.846 142 residues pruned to eliminate duplicates Z: 183 110.788 2.388 0.639 0.710 0.962 0.698 CB 1.802 183 residues pruned to eliminate duplicates Z: 45 58.019 2.327 0.835 0.641 0.955 0.659 CB 1.881 45 residues pruned to eliminate duplicates Z: 94 80.058 2.350 0.722 0.712 0.957 0.710 CB 1.769 94 residues pruned to eliminate duplicates Z: 60 67.171 2.342 0.788 0.724 0.966 0.695 CB 1.766 60 residues pruned to eliminate duplicates Z: 60 73.115 2.359 0.936 0.701 0.915 0.661 CB 1.896 60 residues pruned to eliminate duplicates Z: 41 59.735 2.408 0.906 0.703 0.925 0.700 CB 1.850 41 residues pruned to eliminate duplicates Z: 129 99.717 2.424 0.686 0.706 0.969 0.734 CB 1.846 129 residues pruned to eliminate duplicates Z: 145 113.810 2.425 0.755 0.738 0.979 0.757 CB 1.838 145 residues pruned to eliminate duplicates Z: 142 115.431 2.446 0.740 0.753 0.979 0.745 CB 1.863 142 residues pruned to eliminate duplicates Z: 66 71.244 2.368 0.793 0.748 0.938 0.785 CB 1.776 66 residues pruned to eliminate duplicates Z: 142 110.209 2.439 0.665 0.749 0.979 0.766 CB 1.869 142 residues pruned to eliminate duplicates Z: 143 108.747 2.436 0.684 0.748 0.965 0.789 CB 1.847 143 residues pruned to eliminate duplicates Z: 55 62.023 2.345 0.817 0.675 0.944 0.722 CB 1.785 55 residues pruned to eliminate duplicates Z: 55 80.435 2.459 0.844 0.783 0.981 0.778 CB 1.917 55 residues pruned to eliminate duplicates Z: 67 80.296 2.439 0.767 0.763 0.985 0.712 CB 1.843 67 residues pruned to eliminate duplicates Z: 54 82.188 2.469 0.862 0.784 0.981 0.811 CB 1.950 54 residues pruned to eliminate duplicates Z: 107 96.591 2.416 0.793 0.730 0.962 0.726 CB 1.829 107 residues pruned to eliminate duplicates Z: 156 113.325 2.427 0.709 0.731 0.961 0.684 CB 1.855 156 residues pruned to eliminate duplicates Z: 96 89.983 2.446 0.702 0.745 0.958 0.747 CB 1.860 96 residues pruned to eliminate duplicates Z: 129 101.585 2.428 0.706 0.717 0.961 0.758 CB 1.853 129 residues pruned to eliminate duplicates Z: 72 82.856 2.382 0.885 0.732 0.986 0.676 CB 1.804 72 residues pruned to eliminate duplicates Z: 131 99.818 2.415 0.705 0.715 0.954 0.746 CB 1.835 131 residues pruned to eliminate duplicates Z: 144 105.706 2.419 0.653 0.750 0.972 0.769 CB 1.819 144 residues pruned to eliminate duplicates Z: 128 104.405 2.442 0.724 0.729 0.953 0.764 CB 1.879 128 residues pruned to eliminate duplicates Z: 95 77.955 2.357 0.681 0.691 0.957 0.681 CB 1.779 95 residues pruned to eliminate duplicates Z: 95 84.800 2.418 0.630 0.723 0.979 0.734 CB 1.854 95 residues pruned to eliminate duplicates Z: 139 106.250 2.438 0.675 0.740 0.949 0.768 CB 1.881 139 residues pruned to eliminate duplicates Z: 106 93.053 2.394 0.778 0.727 0.962 0.752 CB 1.808 106 residues pruned to eliminate duplicates Z: 94 86.371 2.429 0.653 0.739 0.957 0.753 CB 1.882 94 residues pruned to eliminate duplicates Z: 88 81.872 2.431 0.622 0.724 0.989 0.782 CB 1.841 88 residues pruned to eliminate duplicates Z: 144 115.541 2.424 0.786 0.742 0.965 0.706 CB 1.861 144 residues pruned to eliminate duplicates Z: 90 82.264 2.400 0.696 0.720 0.944 0.787 CB 1.861 90 residues pruned to eliminate duplicates Z: 95 86.168 2.385 0.725 0.718 0.968 0.745 CB 1.832 95 residues pruned to eliminate duplicates Z: 20 31.521 2.247 0.743 0.661 0.947 0.684 CB 1.680 20 residues pruned to eliminate duplicates Z: 50 59.284 2.392 0.656 0.709 0.959 0.694 CB 1.844 50 residues pruned to eliminate duplicates Z: 143 109.532 2.439 0.652 0.753 0.979 0.782 CB 1.860 143 residues pruned to eliminate duplicates Z: 129 107.812 2.431 0.778 0.722 0.961 0.719 CB 1.878 129 residues pruned to eliminate duplicates Z: 95 88.654 2.414 0.728 0.737 0.957 0.755 CB 1.851 95 residues pruned to eliminate duplicates Z: 129 98.506 2.411 0.708 0.712 0.945 0.688 CB 1.846 129 residues pruned to eliminate duplicates Z: 143 110.262 2.408 0.736 0.742 0.965 0.732 CB 1.847 143 residues pruned to eliminate duplicates Z: 95 88.597 2.415 0.723 0.712 0.989 0.681 CB 1.832 95 residues pruned to eliminate duplicates Z: 96 86.940 2.404 0.710 0.726 0.958 0.726 CB 1.847 96 residues pruned to eliminate duplicates Z: 89 75.147 2.387 0.599 0.704 0.966 0.670 CB 1.804 89 residues pruned to eliminate duplicates Z: 93 76.724 2.342 0.685 0.685 0.957 0.696 CB 1.788 93 residues pruned to eliminate duplicates Z: 77 80.830 2.410 0.863 0.705 0.947 0.711 CB 1.808 77 residues pruned to eliminate duplicates Z: 92 77.391 2.389 0.638 0.707 0.923 0.692 CB 1.862 89 residues pruned to eliminate duplicates Z: 18 53.032 2.407 0.964 0.928 1.000 0.824 CB 1.905 18 residues pruned to eliminate duplicates Z: 91 80.102 2.404 0.696 0.709 0.933 0.733 CB 1.835 94 residues pruned to eliminate duplicates Z: 18 39.524 2.395 0.516 0.930 1.000 0.882 CB 1.847 18 residues pruned to eliminate duplicates Z: 154 116.396 2.439 0.716 0.738 0.974 0.758 CB 1.865 154 residues pruned to eliminate duplicates Z: 95 81.832 2.416 0.580 0.727 0.979 0.745 CB 1.841 95 residues pruned to eliminate duplicates Z: 87 83.182 2.449 0.624 0.744 0.977 0.779 CB 1.857 87 residues pruned to eliminate duplicates Z: 93 74.831 2.345 0.693 0.669 0.935 0.609 CB 1.798 93 residues pruned to eliminate duplicates Z: 84 80.701 2.444 0.620 0.735 0.976 0.747 CB 1.855 84 residues pruned to eliminate duplicates Z: 90 85.458 2.381 0.761 0.725 0.955 0.798 CB 1.847 90 residues pruned to eliminate duplicates Z: 130 98.586 2.403 0.716 0.705 0.953 0.729 CB 1.831 130 residues pruned to eliminate duplicates Z: 77 76.218 2.422 0.672 0.712 0.974 0.737 CB 1.828 77 residues pruned to eliminate duplicates Z: 88 87.931 2.426 0.713 0.732 0.977 0.724 CB 1.884 88 residues pruned to eliminate duplicates Z: 95 88.453 2.410 0.725 0.732 0.968 0.713 CB 1.840 95 residues pruned to eliminate duplicates Z: 141 113.971 2.441 0.743 0.746 0.979 0.729 CB 1.857 143 residues pruned to eliminate duplicates Z: 6 10.284 2.060 0.349 0.710 1.000 0.600 CA 1.368 6 residues pruned to eliminate duplicates Z: 61 60.717 2.345 0.694 0.657 0.967 0.667 CB 1.765 61 residues pruned to eliminate duplicates Z: 183 112.557 2.385 0.687 0.693 0.962 0.720 CB 1.808 183 residues pruned to eliminate duplicates Z: 17 26.580 2.243 0.544 0.701 0.938 0.688 CB 1.705 17 residues pruned to eliminate duplicates Z: 92 87.960 2.404 0.803 0.703 0.978 0.648 CB 1.809 92 residues pruned to eliminate duplicates Z: 79 77.727 2.417 0.708 0.713 0.962 0.769 CB 1.828 79 residues pruned to eliminate duplicates Z: 88 88.539 2.440 0.721 0.733 0.977 0.782 CB 1.877 88 residues pruned to eliminate duplicates Z: 95 83.961 2.420 0.619 0.728 0.968 0.766 CB 1.860 95 residues pruned to eliminate duplicates Z: 89 83.293 2.422 0.689 0.710 0.966 0.693 CB 1.856 89 residues pruned to eliminate duplicates Z: 94 74.612 2.366 0.663 0.683 0.925 0.699 CB 1.797 43 residues pruned to eliminate duplicates Z: 11 21.367 2.265 0.532 0.879 1.000 0.700 CB 1.411 11 residues pruned to eliminate duplicates Z: 94 84.896 2.426 0.623 0.735 0.978 0.763 CB 1.851 94 residues pruned to eliminate duplicates Z: 127 105.127 2.438 0.720 0.728 0.968 0.762 CB 1.877 127 residues pruned to eliminate duplicates Z: 81 80.728 2.391 0.782 0.712 0.950 0.738 CB 1.839 37 residues pruned to eliminate duplicates Z: 14 17.039 2.070 0.489 0.734 0.923 0.769 CB 1.346 14 residues pruned to eliminate duplicates Z: 56 55.380 2.320 0.717 0.639 0.927 0.618 CB 1.775 56 residues pruned to eliminate duplicates Z: 143 114.784 2.431 0.746 0.744 0.986 0.768 CB 1.850 143 residues pruned to eliminate duplicates Z: 94 82.107 2.415 0.571 0.739 0.978 0.763 CB 1.851 94 residues pruned to eliminate duplicates Z: 39 61.781 2.401 0.766 0.785 0.974 0.789 CB 1.890 39 residues pruned to eliminate duplicates Z: 77 79.846 2.436 0.680 0.742 0.961 0.789 CB 1.876 77 residues pruned to eliminate duplicates Z: 88 84.173 2.435 0.677 0.730 0.954 0.655 CB 1.883 88 residues pruned to eliminate duplicates Z: 86 87.333 2.432 0.792 0.731 0.976 0.741 CB 1.808 86 residues pruned to eliminate duplicates Z: 96 80.868 2.389 0.636 0.706 0.979 0.758 CB 1.799 96 residues pruned to eliminate duplicates Z: 95 88.491 2.396 0.767 0.734 0.947 0.787 CB 1.845 95 residues pruned to eliminate duplicates Z: 92 88.898 2.389 0.793 0.714 0.967 0.714 CB 1.852 92 residues pruned to eliminate duplicates Z: 95 90.398 2.404 0.776 0.724 0.968 0.628 CB 1.843 95 residues pruned to eliminate duplicates Z: 37 72.237 2.497 0.833 0.824 1.000 0.694 CB 1.986 37 residues pruned to eliminate duplicates Z: 96 83.400 2.355 0.752 0.707 0.947 0.716 CB 1.812 93 residues pruned to eliminate duplicates Z: 27 61.046 2.458 1.087 0.913 0.923 0.808 CB 1.788 27 residues pruned to eliminate duplicates Z: 144 114.542 2.413 0.807 0.740 0.965 0.706 CB 1.836 148 residues pruned to eliminate duplicates Z: 27 68.154 2.433 1.138 0.929 1.000 0.808 CB 1.799 27 residues pruned to eliminate duplicates Z: 93 76.943 2.379 0.630 0.674 0.967 0.685 CB 1.821 93 residues pruned to eliminate duplicates Z: 90 88.489 2.402 0.806 0.718 0.955 0.742 CB 1.858 89 residues pruned to eliminate duplicates Z: 27 63.909 2.430 1.086 0.940 0.962 0.769 CB 1.786 27 residues pruned to eliminate duplicates Z: 94 93.082 2.430 0.805 0.736 0.968 0.763 CB 1.840 94 residues pruned to eliminate duplicates Z: 73 87.336 2.425 0.837 0.749 0.972 0.750 CB 1.903 73 residues pruned to eliminate duplicates Z: 95 95.619 2.421 0.826 0.739 0.989 0.745 CB 1.819 95 residues pruned to eliminate duplicates Z: 129 109.717 2.416 0.849 0.722 0.969 0.742 CB 1.834 130 residues pruned to eliminate duplicates Z: 27 69.232 2.475 1.081 0.937 1.000 0.769 CB 1.834 27 residues pruned to eliminate duplicates Z: 143 115.245 2.427 0.772 0.745 0.979 0.768 CB 1.846 143 residues pruned to eliminate duplicates Z: 89 89.840 2.424 0.772 0.729 0.977 0.659 CB 1.856 89 residues pruned to eliminate duplicates Z: 101 84.370 2.320 0.798 0.681 0.960 0.660 CB 1.784 101 residues pruned to eliminate duplicates Z: 129 107.485 2.424 0.823 0.720 0.953 0.672 CB 1.850 129 residues pruned to eliminate duplicates Z: 142 119.937 2.441 0.803 0.746 0.986 0.709 CB 1.869 142 residues pruned to eliminate duplicates Z: 95 90.435 2.415 0.746 0.723 0.979 0.787 CB 1.848 95 residues pruned to eliminate duplicates Z: 41 54.929 2.350 0.791 0.731 0.925 0.775 CB 1.813 41 residues pruned to eliminate duplicates Z: 72 86.088 2.440 0.820 0.765 0.972 0.775 CB 1.872 72 residues pruned to eliminate duplicates Z: 74 85.482 2.399 0.894 0.747 0.945 0.753 CB 1.868 74 residues pruned to eliminate duplicates Z: 73 84.356 2.433 0.819 0.754 0.958 0.750 CB 1.870 73 residues pruned to eliminate duplicates Z: 40 58.112 2.365 0.794 0.731 0.974 0.795 CB 1.829 40 residues pruned to eliminate duplicates Z: 95 94.218 2.417 0.813 0.729 0.979 0.734 CB 1.843 95 residues pruned to eliminate duplicates Z: 37 36.086 2.326 0.592 0.545 0.917 0.694 CB 1.695 37 residues pruned to eliminate duplicates Z: 29 39.076 2.353 0.609 0.612 0.964 0.714 CB 1.820 29 residues pruned to eliminate duplicates Z: 33 38.245 2.337 0.639 0.579 0.938 0.688 CB 1.745 33 residues pruned to eliminate duplicates Z: 30 44.012 2.362 0.788 0.638 0.966 0.655 CB 1.762 30 residues pruned to eliminate duplicates Z: 7 10.627 2.157 0.284 0.653 1.000 0.500 CA 1.358 7 residues pruned to eliminate duplicates Z: 58 69.988 2.438 0.779 0.677 0.965 0.614 CB 1.882 58 residues pruned to eliminate duplicates Z: 42 45.363 2.374 0.584 0.584 0.927 0.561 CB 1.875 42 residues pruned to eliminate duplicates Z: 44 44.626 2.388 0.606 0.560 0.930 0.581 CB 1.800 44 residues pruned to eliminate duplicates Z: 58 63.454 2.446 0.636 0.680 0.965 0.632 CB 1.845 58 residues pruned to eliminate duplicates Z: 28 42.281 2.373 0.695 0.641 0.963 0.704 CB 1.841 28 residues pruned to eliminate duplicates Z: 184 119.041 2.446 0.686 0.708 0.951 0.694 CB 1.857 184 residues pruned to eliminate duplicates Z: 33 37.388 2.345 0.560 0.589 0.938 0.688 CB 1.771 33 residues pruned to eliminate duplicates Z: 28 42.583 2.360 0.708 0.639 0.963 0.593 CB 1.855 28 residues pruned to eliminate duplicates Z: 58 64.180 2.433 0.606 0.664 0.982 0.632 CB 1.903 58 residues pruned to eliminate duplicates Z: 30 43.828 2.319 0.793 0.608 0.966 0.724 CB 1.830 30 residues pruned to eliminate duplicates Z: 42 51.253 2.408 0.658 0.614 0.951 0.634 CB 1.891 42 residues pruned to eliminate duplicates Z: 182 114.809 2.444 0.675 0.695 0.945 0.718 CB 1.846 182 residues pruned to eliminate duplicates Z: 29 42.170 2.307 0.717 0.640 0.964 0.786 CB 1.830 29 residues pruned to eliminate duplicates Z: 42 42.630 2.300 0.678 0.562 0.927 0.537 CB 1.753 42 residues pruned to eliminate duplicates Z: 38 42.928 2.396 0.636 0.586 0.946 0.622 CB 1.754 38 residues pruned to eliminate duplicates Z: 59 65.363 2.415 0.691 0.691 0.948 0.638 CB 1.861 59 residues pruned to eliminate duplicates Z: 28 46.868 2.371 0.891 0.644 0.963 0.704 CB 1.826 28 residues pruned to eliminate duplicates Z: 29 43.522 2.306 0.774 0.649 0.964 0.536 CB 1.814 29 residues pruned to eliminate duplicates Z: 43 49.696 2.383 0.676 0.607 0.952 0.548 CB 1.821 43 residues pruned to eliminate duplicates Z: 46 44.320 2.344 0.624 0.567 0.911 0.511 CB 1.785 46 residues pruned to eliminate duplicates Z: 58 64.120 2.427 0.648 0.670 0.965 0.561 CB 1.881 58 residues pruned to eliminate duplicates Z: 60 59.177 2.399 0.658 0.643 0.915 0.593 CB 1.852 60 residues pruned to eliminate duplicates Z: 32 32.176 2.296 0.641 0.441 0.968 0.484 CB 1.683 32 residues pruned to eliminate duplicates Z: 58 60.364 2.433 0.549 0.690 0.947 0.579 CB 1.882 58 residues pruned to eliminate duplicates Z: 31 48.106 2.455 0.768 0.687 0.900 0.667 CA 1.895 31 residues pruned to eliminate duplicates Z: 33 44.621 2.365 0.890 0.646 0.812 0.438 CB 1.894 33 residues pruned to eliminate duplicates Z: 31 44.069 2.433 0.759 0.669 0.833 0.500 CB 1.929 31 residues pruned to eliminate duplicates Z: 41 47.198 2.425 0.568 0.608 0.950 0.575 CB 1.865 41 residues pruned to eliminate duplicates Z: 42 50.315 2.408 0.630 0.590 0.976 0.561 CB 1.883 42 residues pruned to eliminate duplicates Z: 58 67.210 2.463 0.681 0.672 0.965 0.596 CB 1.901 58 residues pruned to eliminate duplicates Z: 18 19.967 2.215 0.621 0.385 0.882 0.235 CA 1.726 18 residues pruned to eliminate duplicates Z: 58 62.332 2.440 0.661 0.678 0.912 0.649 CB 1.896 58 residues pruned to eliminate duplicates Z: 58 64.054 2.421 0.650 0.672 0.965 0.649 CB 1.878 58 residues pruned to eliminate duplicates Z: 185 120.700 2.442 0.699 0.712 0.951 0.690 CB 1.861 185 residues pruned to eliminate duplicates Z: 157 112.027 2.450 0.677 0.720 0.955 0.737 CB 1.873 157 residues pruned to eliminate duplicates Z: 31 48.879 2.444 0.707 0.664 0.967 0.667 CA 1.901 31 residues pruned to eliminate duplicates Z: 17 43.273 2.460 0.730 0.873 1.000 0.750 CB 1.851 17 residues pruned to eliminate duplicates Z: 146 108.147 2.431 0.752 0.685 0.966 0.703 CB 1.843 146 residues pruned to eliminate duplicates Z: 125 98.076 2.429 0.724 0.704 0.944 0.726 CB 1.853 125 residues pruned to eliminate duplicates Z: 97 83.267 2.423 0.704 0.679 0.958 0.708 CB 1.822 97 residues pruned to eliminate duplicates Z: 17 49.405 2.503 0.865 0.887 1.000 0.812 CB 1.907 17 residues pruned to eliminate duplicates Z: 106 91.713 2.441 0.711 0.731 0.952 0.714 CB 1.828 106 residues pruned to eliminate duplicates Z: 67 78.107 2.404 0.777 0.757 0.985 0.773 CB 1.819 67 residues pruned to eliminate duplicates Z: 144 108.297 2.460 0.672 0.732 0.958 0.699 CB 1.866 144 residues pruned to eliminate duplicates Z: 180 115.708 2.426 0.700 0.692 0.961 0.698 CB 1.831 180 residues pruned to eliminate duplicates Z: 58 63.222 2.462 0.625 0.662 0.947 0.632 CB 1.902 58 residues pruned to eliminate duplicates Z: 168 111.870 2.412 0.700 0.680 0.970 0.635 CB 1.844 168 residues pruned to eliminate duplicates Z: 106 86.837 2.446 0.592 0.735 0.962 0.752 CB 1.832 106 residues pruned to eliminate duplicates Z: 131 94.700 2.446 0.616 0.716 0.946 0.708 CB 1.825 131 residues pruned to eliminate duplicates Z: 72 67.850 2.413 0.584 0.741 0.958 0.746 CB 1.773 72 residues pruned to eliminate duplicates Z: 143 108.958 2.466 0.664 0.746 0.979 0.746 CB 1.828 143 residues pruned to eliminate duplicates Z: 143 104.769 2.467 0.608 0.748 0.965 0.768 CB 1.841 143 residues pruned to eliminate duplicates Z: 108 86.862 2.408 0.642 0.718 0.972 0.729 CB 1.794 108 residues pruned to eliminate duplicates Z: 144 112.155 2.454 0.713 0.744 0.979 0.748 CB 1.831 144 residues pruned to eliminate duplicates Z: 147 106.031 2.444 0.705 0.694 0.952 0.692 CB 1.852 147 residues pruned to eliminate duplicates Z: 142 107.814 2.419 0.751 0.725 0.965 0.730 CB 1.814 142 residues pruned to eliminate duplicates Z: 143 113.738 2.466 0.717 0.746 0.972 0.775 CB 1.862 143 residues pruned to eliminate duplicates Z: 68 67.169 2.389 0.618 0.755 0.970 0.791 CB 1.743 68 residues pruned to eliminate duplicates Z: 114 89.318 2.404 0.683 0.675 0.982 0.726 CB 1.800 114 residues pruned to eliminate duplicates Z: 142 120.352 2.469 0.760 0.758 0.986 0.759 CB 1.882 142 residues pruned to eliminate duplicates Z: 67 70.475 2.379 0.745 0.760 0.955 0.758 CB 1.738 67 residues pruned to eliminate duplicates Z: 117 85.473 2.380 0.686 0.653 0.966 0.629 CB 1.777 117 residues pruned to eliminate duplicates Z: 167 121.061 2.438 0.769 0.701 0.982 0.735 CB 1.848 167 residues pruned to eliminate duplicates Z: 19 42.299 2.305 0.960 0.900 0.944 0.889 CB 1.670 19 residues pruned to eliminate duplicates Z: 112 88.903 2.421 0.694 0.687 0.964 0.694 CB 1.799 112 residues pruned to eliminate duplicates Z: 184 119.423 2.424 0.782 0.698 0.934 0.710 CB 1.827 184 residues pruned to eliminate duplicates Z: 143 114.810 2.456 0.766 0.742 0.972 0.768 CB 1.840 142 residues pruned to eliminate duplicates Z: 18 49.193 2.362 0.997 0.888 1.000 0.824 CB 1.821 18 residues pruned to eliminate duplicates Z: 158 116.501 2.453 0.765 0.707 0.955 0.739 CB 1.861 158 residues pruned to eliminate duplicates Z: 128 102.830 2.453 0.704 0.722 0.961 0.732 CB 1.860 128 residues pruned to eliminate duplicates Z: 128 104.664 2.447 0.738 0.725 0.969 0.724 CB 1.840 128 residues pruned to eliminate duplicates Z: 127 108.798 2.459 0.817 0.730 0.952 0.754 CB 1.852 127 residues pruned to eliminate duplicates Z: 41 58.573 2.426 0.864 0.717 0.950 0.800 CB 1.772 41 residues pruned to eliminate duplicates Z: 106 93.710 2.433 0.696 0.730 0.981 0.714 CB 1.836 106 residues pruned to eliminate duplicates Z: 67 76.246 2.412 0.740 0.763 0.985 0.788 CB 1.798 67 residues pruned to eliminate duplicates Z: 69 68.458 2.380 0.731 0.728 0.941 0.765 CB 1.743 69 residues pruned to eliminate duplicates Z: 92 81.975 2.405 0.734 0.702 0.945 0.736 CB 1.814 92 residues pruned to eliminate duplicates Z: 142 119.683 2.470 0.783 0.753 0.972 0.780 CB 1.879 142 residues pruned to eliminate duplicates Z: 182 115.063 2.427 0.696 0.673 0.961 0.691 CB 1.842 182 residues pruned to eliminate duplicates Z: 72 62.718 2.358 0.564 0.694 0.930 0.775 CB 1.817 72 residues pruned to eliminate duplicates Z: 66 79.653 2.396 0.889 0.739 0.969 0.769 CB 1.818 66 residues pruned to eliminate duplicates Z: 107 84.416 2.416 0.679 0.677 0.953 0.660 CB 1.803 107 residues pruned to eliminate duplicates Z: 106 93.008 2.445 0.710 0.740 0.962 0.743 CB 1.820 106 residues pruned to eliminate duplicates Z: 183 122.590 2.454 0.720 0.705 0.962 0.725 CB 1.859 183 residues pruned to eliminate duplicates Z: 70 59.122 2.337 0.531 0.679 0.942 0.696 CB 1.790 70 residues pruned to eliminate duplicates Z: 108 96.046 2.429 0.752 0.729 0.972 0.692 CB 1.826 108 residues pruned to eliminate duplicates Z: 106 93.541 2.441 0.724 0.729 0.971 0.724 CB 1.817 106 residues pruned to eliminate duplicates Z: 157 111.117 2.439 0.710 0.711 0.949 0.712 CB 1.856 157 residues pruned to eliminate duplicates Z: 148 102.383 2.431 0.701 0.691 0.939 0.694 CB 1.826 148 residues pruned to eliminate duplicates Z: 143 118.701 2.438 0.854 0.742 0.965 0.704 CB 1.839 143 residues pruned to eliminate duplicates Z: 96 84.328 2.406 0.698 0.707 0.947 0.705 CB 1.852 96 residues pruned to eliminate duplicates Z: 72 72.861 2.393 0.713 0.745 0.958 0.761 CB 1.769 72 residues pruned to eliminate duplicates Z: 107 96.193 2.440 0.782 0.726 0.962 0.774 CB 1.822 107 residues pruned to eliminate duplicates Z: 145 115.661 2.445 0.765 0.745 0.965 0.792 CB 1.858 145 residues pruned to eliminate duplicates Z: 103 85.797 2.450 0.585 0.744 0.951 0.775 CB 1.849 103 residues pruned to eliminate duplicates Z: 11 26.572 2.280 0.557 0.810 1.000 0.700 C 1.807 11 residues pruned to eliminate duplicates Z: 145 113.328 2.460 0.734 0.739 0.965 0.750 CB 1.852 145 residues pruned to eliminate duplicates Z: 129 100.581 2.428 0.733 0.722 0.938 0.734 CB 1.844 129 residues pruned to eliminate duplicates Z: 157 115.684 2.456 0.739 0.722 0.949 0.712 CB 1.871 157 residues pruned to eliminate duplicates Z: 147 102.499 2.428 0.702 0.684 0.952 0.705 CB 1.822 147 residues pruned to eliminate duplicates Z: 93 78.683 2.389 0.656 0.711 0.935 0.663 CB 1.832 93 residues pruned to eliminate duplicates Z: 106 89.366 2.434 0.661 0.739 0.971 0.724 CB 1.792 106 residues pruned to eliminate duplicates Z: 97 83.246 2.397 0.649 0.714 0.969 0.688 CB 1.828 97 residues pruned to eliminate duplicates Z: 96 85.145 2.410 0.691 0.719 0.958 0.758 CB 1.837 96 residues pruned to eliminate duplicates Z: 120 98.562 2.427 0.749 0.695 0.958 0.731 CB 1.859 120 residues pruned to eliminate duplicates Z: 37 51.780 2.389 0.648 0.705 0.972 0.694 CB 1.870 37 residues pruned to eliminate duplicates Z: 185 115.015 2.430 0.658 0.697 0.957 0.685 CB 1.838 185 residues pruned to eliminate duplicates Z: 106 99.542 2.434 0.804 0.732 0.981 0.733 CB 1.830 106 residues pruned to eliminate duplicates Z: 184 120.967 2.449 0.665 0.714 0.973 0.710 CB 1.858 184 residues pruned to eliminate duplicates Z: 183 124.581 2.465 0.712 0.709 0.967 0.725 CB 1.872 183 residues pruned to eliminate duplicates Z: 36 51.038 2.377 0.777 0.723 0.886 0.629 CB 1.885 36 residues pruned to eliminate duplicates Z: 96 85.761 2.419 0.668 0.710 0.968 0.758 CB 1.862 96 residues pruned to eliminate duplicates Z: 40 56.613 2.454 0.682 0.710 0.974 0.718 CB 1.863 40 residues pruned to eliminate duplicates Z: 96 85.676 2.416 0.671 0.719 0.958 0.716 CB 1.865 71 residues pruned to eliminate duplicates Z: 18 52.966 2.395 0.887 0.930 1.000 0.882 CB 1.988 18 residues pruned to eliminate duplicates Z: 96 80.620 2.399 0.675 0.702 0.947 0.716 CB 1.809 96 residues pruned to eliminate duplicates Z: 67 69.804 2.415 0.592 0.719 0.985 0.697 CB 1.861 67 residues pruned to eliminate duplicates Z: 72 60.149 2.341 0.569 0.680 0.930 0.662 CB 1.773 72 residues pruned to eliminate duplicates Z: 98 86.136 2.439 0.615 0.735 0.959 0.784 CB 1.876 98 residues pruned to eliminate duplicates Z: 144 107.107 2.438 0.698 0.744 0.958 0.755 CB 1.815 144 residues pruned to eliminate duplicates Z: 172 116.736 2.453 0.703 0.715 0.947 0.737 CB 1.857 172 residues pruned to eliminate duplicates Z: 107 94.853 2.433 0.759 0.728 0.972 0.660 CB 1.805 107 residues pruned to eliminate duplicates Z: 52 63.306 2.430 0.659 0.680 0.980 0.647 CB 1.899 52 residues pruned to eliminate duplicates Z: 46 45.395 2.346 0.595 0.637 0.911 0.689 CB 1.746 46 residues pruned to eliminate duplicates Z: 107 91.062 2.432 0.655 0.728 0.972 0.755 CB 1.842 107 residues pruned to eliminate duplicates Z: 89 86.598 2.457 0.740 0.722 0.955 0.773 CB 1.850 89 residues pruned to eliminate duplicates Z: 100 82.331 2.381 0.741 0.701 0.939 0.636 CB 1.769 100 residues pruned to eliminate duplicates Z: 69 71.277 2.390 0.689 0.706 0.956 0.706 CB 1.858 69 residues pruned to eliminate duplicates Z: 72 83.201 2.476 0.736 0.747 0.972 0.761 CB 1.896 72 residues pruned to eliminate duplicates Z: 142 111.362 2.471 0.696 0.754 0.972 0.766 CB 1.837 142 residues pruned to eliminate duplicates Z: 144 112.121 2.440 0.737 0.751 0.965 0.748 CB 1.833 144 residues pruned to eliminate duplicates Z: 186 120.348 2.425 0.724 0.712 0.951 0.730 CB 1.836 186 residues pruned to eliminate duplicates Z: 143 112.565 2.466 0.787 0.735 0.944 0.697 CB 1.839 143 residues pruned to eliminate duplicates Z: 142 115.130 2.462 0.744 0.753 0.965 0.745 CB 1.869 142 residues pruned to eliminate duplicates Z: 142 105.957 2.423 0.744 0.715 0.943 0.709 CB 1.844 142 residues pruned to eliminate duplicates Z: 184 126.295 2.451 0.756 0.709 0.962 0.694 CB 1.866 184 residues pruned to eliminate duplicates Z: 129 109.347 2.437 0.817 0.723 0.969 0.711 CB 1.842 129 residues pruned to eliminate duplicates Z: 142 115.682 2.463 0.784 0.754 0.965 0.766 CB 1.834 142 residues pruned to eliminate duplicates Z: 143 112.394 2.459 0.712 0.757 0.965 0.782 CB 1.847 143 residues pruned to eliminate duplicates Z: 160 107.828 2.429 0.669 0.706 0.962 0.717 CB 1.818 160 residues pruned to eliminate duplicates Z: 88 87.237 2.464 0.697 0.738 0.966 0.736 CB 1.872 88 residues pruned to eliminate duplicates Z: 143 113.985 2.463 0.752 0.753 0.972 0.761 CB 1.820 143 residues pruned to eliminate duplicates Z: 105 86.409 2.442 0.756 0.677 0.923 0.692 CB 1.819 103 residues pruned to eliminate duplicates Z: 19 52.646 2.399 0.996 0.909 0.944 0.889 CB 1.947 19 residues pruned to eliminate duplicates Z: 129 105.262 2.417 0.820 0.730 0.953 0.750 CB 1.804 129 residues pruned to eliminate duplicates Z: 71 91.635 2.512 0.844 0.772 0.957 0.786 CB 1.942 71 residues pruned to eliminate duplicates Z: 142 119.957 2.472 0.804 0.747 0.979 0.752 CB 1.855 142 residues pruned to eliminate duplicates Z: 185 127.222 2.442 0.798 0.710 0.957 0.685 CB 1.845 185 residues pruned to eliminate duplicates Z: 183 124.382 2.456 0.726 0.708 0.973 0.736 CB 1.851 183 residues pruned to eliminate duplicates Z: 142 121.447 2.467 0.860 0.749 0.972 0.773 CB 1.836 142 residues pruned to eliminate duplicates Z: 75 83.294 2.468 0.765 0.736 0.973 0.743 CB 1.848 75 residues pruned to eliminate duplicates Z: 130 106.439 2.434 0.796 0.721 0.953 0.744 CB 1.842 130 residues pruned to eliminate duplicates Z: 128 112.460 2.446 0.846 0.731 0.961 0.787 CB 1.870 128 residues pruned to eliminate duplicates Z: 184 126.519 2.464 0.735 0.716 0.967 0.727 CB 1.861 39 residues pruned to eliminate duplicates Z: 26 81.315 2.560 1.201 0.942 1.000 0.800 CB 2.002 26 residues pruned to eliminate duplicates Z: 142 117.889 2.459 0.812 0.749 0.972 0.780 CB 1.837 142 residues pruned to eliminate duplicates Z: 41 72.261 2.441 1.039 0.753 0.975 0.750 CB 1.878 42 residues pruned to eliminate duplicates Z: 27 76.126 2.454 1.215 0.917 1.000 0.885 CB 1.938 27 residues pruned to eliminate duplicates Z: 40 79.460 2.430 1.093 0.805 1.000 0.795 CB 1.918 38 residues pruned to eliminate duplicates Z: 27 73.070 2.455 1.381 0.898 0.923 0.846 CB 1.900 27 residues pruned to eliminate duplicates Z: 108 95.955 2.425 0.753 0.730 0.972 0.738 CB 1.825 108 residues pruned to eliminate duplicates Z: 144 116.449 2.439 0.790 0.745 0.972 0.734 CB 1.843 144 residues pruned to eliminate duplicates Z: 142 114.038 2.425 0.794 0.740 0.972 0.752 CB 1.832 142 residues pruned to eliminate duplicates Z: 185 123.825 2.439 0.749 0.705 0.962 0.739 CB 1.845 185 residues pruned to eliminate duplicates Z: 144 121.089 2.451 0.843 0.746 0.972 0.706 CB 1.851 144 residues pruned to eliminate duplicates Z: 99 79.666 2.369 0.739 0.699 0.908 0.663 CB 1.794 99 residues pruned to eliminate duplicates Z: 95 91.751 2.444 0.746 0.737 0.968 0.702 CB 1.852 95 residues pruned to eliminate duplicates Z: 143 118.075 2.452 0.829 0.742 0.965 0.761 CB 1.843 143 residues pruned to eliminate duplicates Z: 97 93.496 2.414 0.802 0.726 0.969 0.688 CB 1.847 97 residues pruned to eliminate duplicates Z: 184 123.380 2.453 0.735 0.709 0.967 0.716 CB 1.832 184 residues pruned to eliminate duplicates Z: 8 9.119 1.909 0.249 0.811 0.857 0.857 CB 1.287 8 residues pruned to eliminate duplicates Z: 129 110.841 2.446 0.812 0.720 0.977 0.711 CB 1.856 129 residues pruned to eliminate duplicates Z: 97 88.796 2.403 0.747 0.725 0.958 0.740 CB 1.839 97 residues pruned to eliminate duplicates Z: 185 126.900 2.443 0.765 0.714 0.967 0.739 CB 1.847 185 residues pruned to eliminate duplicates 363 residues left after pruning, divided into chains as follows: A: 91 B: 92 C: 180 CC for partial structure against native data = 41.34 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 3 used as input for final density modification = 0.300, Contrast = 0.502, Connect. = 0.810 for dens.mod. cycle 1 = 0.300, Contrast = 0.558, Connect. = 0.822 for dens.mod. cycle 2 = 0.300, Contrast = 0.687, Connect. = 0.846 for dens.mod. cycle 3 = 0.300, Contrast = 0.696, Connect. = 0.849 for dens.mod. cycle 4 = 0.300, Contrast = 0.708, Connect. = 0.850 for dens.mod. cycle 5 = 0.300, Contrast = 0.714, Connect. = 0.851 for dens.mod. cycle 6 = 0.300, Contrast = 0.720, Connect. = 0.852 for dens.mod. cycle 7 = 0.300, Contrast = 0.723, Connect. = 0.853 for dens.mod. cycle 8 = 0.300, Contrast = 0.727, Connect. = 0.853 for dens.mod. cycle 9 = 0.300, Contrast = 0.730, Connect. = 0.853 for dens.mod. cycle 10 TimeTaking 331.92