++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ + SHELXE - PHASING AND DENSITY MODIFICATION - Version 2019/1 + + Copyright (c) George M. Sheldrick and Isabel Uson 2001-19 + + Started at 15:13:52 on 14 Sep 2019 + ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful. Command line parameters: ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.phi -a -n -t20 Cell and symmetry only from ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.ins Phases from ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.phi Native data from ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.hkl Listing output to ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.lst Phases output to ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.phs Poly-Ala trace output to ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.pdb Summary of parameters to be employed: -a 30 global autotracing cycles, stop 3 cycles after CC>30 -b 5.0 extra B for revised heavy atom sites -c 0.400 fraction of pixels in crossover region -d 0.000 high resolution limit to be applied to input data -D unset do not fuse disulfides for NCS -e unset fill in missing data up to maximum resolution + 0.2 Ang. -f unset read intensity not F from native .hkl file -F 0.800 fractional weight for phases from previous global cycle -g 1.100 solvent gamma flipping factor -G 0.700 FOM threshold for initial tripeptides and chain building -i unset no structure inversion -k 4.5 minimum height/sigma for revised heavy atom sites -l 2 space for 2000000 reflections -L 6 minimum number of residues/chain (if more than 3 chains) -m 10 cycles of density modification -p unset no phosphate search -q unset no alpha-helix search -r 3.00 map resolution (multiplies maximum indices) -s 0.450 solvent fraction -S 2.42 radius of sphere of influence -t 10.00 time for initial searches (-t6 or more if difficult) -u 500 MB allocatable memory for fragment optimization -v unset density sharpening factor dependent on resolution -w 0.200 weight for experimental phases after cycle 1 -x unset no phase and trace diagnostics -z unset do not optimize heavy atoms Space group: P 21 21 21 Allowed origin shift code: 4 48424 Reflections read from file ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.phi 48424 Reflections read from file ./1vmf-1.7-parrot-hancs/1vmf-1.7-parrot-hancs.hkl 48424 Unique data, highest resolution = 1.730 Angstroms Anisotropic scaling: intensities multiplied by -0.000039h^2 +0.000084k^2 +0.000001l^2 +0.000000kl +0.000000hl +0.000000hk 20 Reflections with d > 1.930 and 0 in range 1.930 > d > 1.730 added Density sharpening factor set to 1.16 Fourier grid = 128 x 128 x 60 0.000 <= z <= 0.250 92 Point spherical net set up with radius 2.42A 32 Extra Fourier layers will be generated <|E^2-1|> = 0.672 = 0.300, Contrast = 0.468, Connect. = 0.755 for dens.mod. cycle 1 = 0.300, Contrast = 0.548, Connect. = 0.768 for dens.mod. cycle 2 = 0.300, Contrast = 0.642, Connect. = 0.786 for dens.mod. cycle 3 = 0.300, Contrast = 0.663, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.674, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.681, Connect. = 0.796 for dens.mod. cycle 6 = 0.300, Contrast = 0.685, Connect. = 0.798 for dens.mod. cycle 7 = 0.300, Contrast = 0.688, Connect. = 0.799 for dens.mod. cycle 8 = 0.300, Contrast = 0.690, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.692, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2144 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 505 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 11 31.993 2.411 0.834 0.917 1.000 1.000 CB 1.614 B: 13 30.548 2.303 0.964 0.849 1.000 0.750 CB 1.446 11 residues pruned to eliminate duplicates C: 11 38.250 2.433 1.086 0.931 1.000 0.900 CB 1.665 11 residues pruned to eliminate duplicates D: 14 30.198 2.107 1.061 0.879 1.000 0.923 CB 1.399 E: 15 36.189 2.304 0.839 0.939 1.000 0.857 CB 1.586 F: 13 31.662 2.132 0.942 0.873 1.000 0.917 CB 1.608 14 residues pruned to eliminate duplicates G: 12 30.114 2.168 1.010 0.892 1.000 0.727 CB 1.497 12 residues pruned to eliminate duplicates H: 14 30.546 2.151 1.134 0.856 0.923 0.846 CB 1.475 I: 14 34.704 2.216 1.107 0.862 1.000 0.923 CB 1.514 13 residues pruned to eliminate duplicates J: 12 32.880 2.295 0.875 0.851 0.909 0.909 CA 1.876 13 residues pruned to eliminate duplicates K: 12 36.406 2.339 1.191 0.915 0.909 0.909 CA 1.666 12 residues pruned to eliminate duplicates L: 14 42.920 2.201 1.251 0.881 1.000 0.846 CA 1.740 13 residues pruned to eliminate duplicates M: 13 35.654 2.309 0.869 0.866 1.000 0.917 CB 1.745 14 residues pruned to eliminate duplicates N: 12 31.664 2.178 0.869 0.928 1.000 0.909 CB 1.642 14 residues pruned to eliminate duplicates O: 13 31.271 2.294 0.933 0.813 0.917 0.833 CB 1.692 13 residues pruned to eliminate duplicates P: 13 25.089 2.191 0.845 0.920 0.833 0.833 CB 1.514 13 residues pruned to eliminate duplicates Q: 36 37.468 2.153 0.982 0.568 0.886 0.771 CB 1.569 R: 15 33.837 2.303 0.770 0.937 1.000 0.857 CB 1.543 15 residues pruned to eliminate duplicates S: 17 27.264 2.200 0.738 0.851 0.875 0.750 CB 1.508 T: 16 28.875 2.101 0.892 0.920 0.933 0.800 CB 1.415 U: 15 34.499 2.014 1.284 0.866 1.000 0.786 CB 1.468 15 residues pruned to eliminate duplicates V: 13 25.592 2.093 0.785 0.821 1.000 0.833 CA 1.496 13 residues pruned to eliminate duplicates W: 11 16.518 1.930 0.965 0.693 0.800 0.600 CB 1.444 X: 16 30.610 2.113 0.931 0.921 0.933 0.800 CB 1.461 16 residues pruned to eliminate duplicates Y: 15 35.772 2.006 1.293 0.836 1.000 0.786 CA 1.556 15 residues pruned to eliminate duplicates Z: 14 28.818 2.090 1.020 0.823 0.923 0.846 CB 1.550 14 residues pruned to eliminate duplicates Z: 13 30.075 2.216 0.782 0.939 1.000 0.750 CB 1.528 14 residues pruned to eliminate duplicates Z: 21 19.619 1.938 0.806 0.483 0.900 0.650 CB 1.416 21 residues pruned to eliminate duplicates Z: 15 29.367 2.205 0.678 0.936 1.000 0.929 CB 1.477 14 residues pruned to eliminate duplicates Z: 13 36.729 2.220 1.342 0.869 0.917 0.750 CA 1.626 13 residues pruned to eliminate duplicates Z: 93 56.771 2.179 0.933 0.541 0.935 0.696 CB 1.444 28 residues pruned to eliminate duplicates Z: 16 33.654 2.218 0.797 0.944 1.000 0.867 CB 1.509 16 residues pruned to eliminate duplicates Z: 36 43.880 2.183 1.118 0.572 0.943 0.800 CB 1.588 36 residues pruned to eliminate duplicates Z: 12 22.173 2.213 0.661 0.804 0.909 0.818 CB 1.533 12 residues pruned to eliminate duplicates Z: 95 57.461 2.158 0.989 0.554 0.904 0.649 CB 1.448 31 residues pruned to eliminate duplicates Z: 12 33.612 2.381 1.020 0.852 1.000 0.818 CB 1.559 12 residues pruned to eliminate duplicates Z: 17 28.057 2.006 0.858 0.900 0.938 0.750 CA 1.435 17 residues pruned to eliminate duplicates Z: 64 42.601 2.195 0.832 0.492 0.921 0.667 CB 1.462 64 residues pruned to eliminate duplicates Z: 69 53.062 2.195 1.049 0.534 0.941 0.691 CB 1.471 29 residues pruned to eliminate duplicates Z: 11 42.615 2.382 1.377 0.928 1.000 1.000 CB 1.667 11 residues pruned to eliminate duplicates Z: 27 27.284 2.086 1.298 0.495 0.885 0.692 CB 1.268 Z: 13 27.706 2.148 0.587 0.920 1.000 0.917 CA 1.651 13 residues pruned to eliminate duplicates Z: 16 32.174 2.247 0.888 0.882 0.933 0.933 CB 1.518 16 residues pruned to eliminate duplicates Z: 95 72.460 2.230 1.149 0.536 0.968 0.670 CB 1.555 105 residues pruned to eliminate duplicates Z: 13 20.617 1.877 0.667 0.849 1.000 1.000 CB 1.410 13 residues pruned to eliminate duplicates Z: 14 37.732 2.076 1.244 0.859 1.000 0.769 CA 1.654 14 residues pruned to eliminate duplicates Z: 51 52.107 2.221 1.143 0.541 0.960 0.680 CB 1.550 51 residues pruned to eliminate duplicates Z: 85 48.285 2.132 0.913 0.500 0.917 0.702 CB 1.410 85 residues pruned to eliminate duplicates Z: 14 34.939 2.182 1.216 0.845 0.923 0.846 CA 1.614 14 residues pruned to eliminate duplicates Z: 16 37.498 2.161 0.968 0.945 1.000 0.733 CB 1.576 16 residues pruned to eliminate duplicates Z: 111 60.417 2.157 0.857 0.553 0.936 0.655 CB 1.458 94 residues pruned to eliminate duplicates Z: 18 19.857 2.035 1.091 0.516 0.941 0.588 CB 1.183 18 residues pruned to eliminate duplicates Z: 13 26.018 1.956 1.035 0.861 1.000 0.917 CA 1.386 13 residues pruned to eliminate duplicates Z: 17 26.918 2.040 0.758 0.919 0.938 0.750 CB 1.411 17 residues pruned to eliminate duplicates Z: 23 29.031 2.168 1.243 0.489 0.955 0.682 CB 1.349 24 residues pruned to eliminate duplicates Z: 16 35.646 2.232 0.796 0.937 1.000 0.933 CA 1.598 16 residues pruned to eliminate duplicates Z: 17 32.226 2.176 0.817 0.900 0.938 0.812 CB 1.552 17 residues pruned to eliminate duplicates Z: 64 43.160 2.198 0.825 0.495 0.905 0.603 CB 1.506 64 residues pruned to eliminate duplicates Z: 16 33.836 2.227 0.843 0.942 0.933 0.867 CB 1.581 16 residues pruned to eliminate duplicates Z: 62 48.147 2.216 0.862 0.541 0.951 0.623 CB 1.510 62 residues pruned to eliminate duplicates Z: 15 32.256 2.052 1.346 0.821 0.929 0.786 CB 1.460 15 residues pruned to eliminate duplicates Z: 15 31.485 2.069 1.197 0.841 0.929 0.857 CB 1.487 15 residues pruned to eliminate duplicates Z: 64 45.191 2.200 0.910 0.522 0.937 0.698 CB 1.415 64 residues pruned to eliminate duplicates Z: 15 25.568 2.019 0.879 0.831 0.929 0.857 CB 1.457 15 residues pruned to eliminate duplicates Z: 9 24.474 2.227 1.263 0.745 1.000 0.875 CB 1.379 Z: 16 27.559 2.193 0.438 0.942 1.000 0.933 CB 1.565 16 residues pruned to eliminate duplicates Z: 13 30.414 2.247 0.962 0.876 0.917 0.917 CA 1.579 13 residues pruned to eliminate duplicates Z: 17 34.747 2.168 0.932 0.883 0.938 0.750 CB 1.599 17 residues pruned to eliminate duplicates Z: 48 34.469 2.131 0.830 0.482 0.894 0.660 CB 1.468 48 residues pruned to eliminate duplicates Z: 16 28.369 2.121 0.768 0.941 0.933 0.933 CB 1.452 16 residues pruned to eliminate duplicates Z: 17 27.028 1.980 1.005 0.931 0.938 0.750 CB 1.269 17 residues pruned to eliminate duplicates Z: 18 24.151 2.098 0.786 0.789 0.824 0.824 CA 1.473 18 residues pruned to eliminate duplicates Z: 36 42.374 2.162 0.983 0.564 0.971 0.714 CB 1.616 36 residues pruned to eliminate duplicates Z: 15 30.756 2.288 0.590 0.936 1.000 0.857 CB 1.573 15 residues pruned to eliminate duplicates Z: 95 67.201 2.209 1.071 0.543 0.947 0.702 CB 1.534 95 residues pruned to eliminate duplicates Z: 15 32.972 2.294 0.735 0.946 1.000 1.000 CB 1.531 15 residues pruned to eliminate duplicates Z: 60 45.775 2.219 0.751 0.563 0.949 0.695 CB 1.520 60 residues pruned to eliminate duplicates Z: 13 37.670 2.262 1.266 0.874 1.000 0.917 CB 1.544 13 residues pruned to eliminate duplicates Z: 28 20.574 1.951 0.968 0.421 0.889 0.556 CB 1.259 21 residues pruned to eliminate duplicates Z: 60 49.637 2.190 1.034 0.557 0.949 0.695 CB 1.446 60 residues pruned to eliminate duplicates Z: 24 22.174 2.178 0.945 0.378 0.913 0.565 CB 1.362 24 residues pruned to eliminate duplicates Z: 44 36.747 2.087 0.779 0.550 0.953 0.744 CB 1.507 44 residues pruned to eliminate duplicates Z: 16 30.579 2.192 0.728 0.935 0.933 0.867 CB 1.556 16 residues pruned to eliminate duplicates Z: 30 24.347 2.024 1.130 0.483 0.931 0.690 CB 1.146 Z: 15 36.714 2.303 0.887 0.949 1.000 0.929 CB 1.558 15 residues pruned to eliminate duplicates Z: 17 31.585 2.116 0.794 0.919 1.000 0.625 CB 1.467 17 residues pruned to eliminate duplicates Z: 60 47.706 2.170 1.006 0.542 0.915 0.576 CB 1.496 60 residues pruned to eliminate duplicates Z: 94 54.253 2.163 0.847 0.549 0.957 0.677 CB 1.403 94 residues pruned to eliminate duplicates Z: 18 18.649 2.088 1.057 0.503 0.882 0.588 CB 1.190 18 residues pruned to eliminate duplicates Z: 53 35.168 2.092 0.805 0.483 0.923 0.673 CB 1.424 53 residues pruned to eliminate duplicates Z: 13 29.464 2.262 1.171 0.876 0.917 0.750 CB 1.373 13 residues pruned to eliminate duplicates Z: 10 22.055 2.187 1.081 0.597 0.889 0.889 CB 1.656 10 residues pruned to eliminate duplicates Z: 77 48.849 2.182 0.984 0.534 0.895 0.605 CB 1.399 77 residues pruned to eliminate duplicates Z: 12 30.082 2.221 1.014 0.932 1.000 0.909 CB 1.416 12 residues pruned to eliminate duplicates Z: 23 20.757 1.965 1.154 0.423 0.818 0.636 CB 1.384 23 residues pruned to eliminate duplicates Z: 12 18.524 2.076 1.326 0.576 0.818 0.636 CB 1.313 12 residues pruned to eliminate duplicates Z: 94 61.184 2.163 1.012 0.569 0.935 0.645 CB 1.459 94 residues pruned to eliminate duplicates Z: 43 29.267 1.994 1.020 0.468 0.929 0.690 CB 1.247 41 residues pruned to eliminate duplicates Z: 35 33.372 2.007 0.897 0.579 0.971 0.706 CB 1.436 35 residues pruned to eliminate duplicates Z: 12 38.559 2.403 1.186 0.844 1.000 0.727 CB 1.647 12 residues pruned to eliminate duplicates Z: 14 29.500 2.150 0.920 0.944 1.000 0.692 CB 1.373 14 residues pruned to eliminate duplicates Z: 16 27.016 1.933 0.948 0.855 1.000 0.867 CB 1.367 16 residues pruned to eliminate duplicates Z: 17 15.069 1.819 0.785 0.586 0.875 0.750 CB 1.221 17 residues pruned to eliminate duplicates Z: 14 34.379 2.126 1.380 0.868 1.000 0.923 CB 1.378 14 residues pruned to eliminate duplicates Z: 24 20.005 2.118 1.145 0.310 0.826 0.478 CB 1.372 24 residues pruned to eliminate duplicates Z: 46 42.861 2.160 0.994 0.522 0.956 0.578 CB 1.518 46 residues pruned to eliminate duplicates Z: 120 67.158 2.174 1.113 0.522 0.899 0.630 CB 1.458 121 residues pruned to eliminate duplicates Z: 16 31.077 2.223 0.766 0.898 0.933 0.733 CA 1.567 16 residues pruned to eliminate duplicates Z: 9 22.367 2.168 1.317 0.831 0.875 0.875 CB 1.352 9 residues pruned to eliminate duplicates Z: 16 31.147 2.169 0.728 0.910 1.000 0.933 CB 1.522 16 residues pruned to eliminate duplicates Z: 14 41.326 2.158 1.365 0.872 1.000 0.923 CA 1.636 14 residues pruned to eliminate duplicates Z: 15 35.114 2.268 0.882 0.930 1.000 0.857 CB 1.537 15 residues pruned to eliminate duplicates Z: 13 29.408 2.127 1.164 0.798 0.917 0.583 CB 1.550 13 residues pruned to eliminate duplicates Z: 49 37.461 2.141 0.852 0.522 0.938 0.604 CB 1.423 49 residues pruned to eliminate duplicates Z: 49 38.771 2.070 0.943 0.517 0.958 0.646 CB 1.427 49 residues pruned to eliminate duplicates Z: 16 30.371 2.196 0.629 0.894 1.000 0.933 CB 1.572 16 residues pruned to eliminate duplicates Z: 15 29.887 2.021 0.957 0.875 1.000 0.786 CB 1.469 15 residues pruned to eliminate duplicates Z: 27 16.579 2.060 1.001 0.400 0.808 0.615 CB 1.085 27 residues pruned to eliminate duplicates Z: 13 30.561 2.136 0.860 0.927 1.000 0.917 CB 1.556 13 residues pruned to eliminate duplicates Z: 16 23.595 2.187 0.271 0.936 1.000 0.933 CB 1.526 16 residues pruned to eliminate duplicates Z: 94 54.902 2.158 0.960 0.533 0.935 0.645 CB 1.394 94 residues pruned to eliminate duplicates Z: 30 23.921 2.027 1.155 0.483 0.897 0.621 CB 1.154 30 residues pruned to eliminate duplicates Z: 11 11.628 1.860 1.167 0.323 0.900 0.600 CB 1.231 8 residues pruned to eliminate duplicates Z: 17 29.344 2.087 0.832 0.899 0.938 0.750 CB 1.462 17 residues pruned to eliminate duplicates Z: 11 15.713 2.041 1.039 0.561 0.900 0.700 CB 1.251 11 residues pruned to eliminate duplicates Z: 44 45.886 2.176 1.154 0.583 0.907 0.767 CB 1.519 44 residues pruned to eliminate duplicates Z: 83 52.159 2.141 0.905 0.520 0.939 0.671 CB 1.474 83 residues pruned to eliminate duplicates Z: 23 26.098 2.152 1.085 0.512 0.955 0.773 CB 1.284 23 residues pruned to eliminate duplicates Z: 94 60.043 2.155 0.932 0.579 0.914 0.677 CB 1.516 94 residues pruned to eliminate duplicates Z: 43 36.185 2.206 0.943 0.493 0.881 0.738 CB 1.490 43 residues pruned to eliminate duplicates Z: 16 14.270 1.806 0.797 0.495 0.867 0.600 CB 1.317 16 residues pruned to eliminate duplicates Z: 15 32.044 2.267 0.760 0.938 1.000 0.929 CB 1.493 15 residues pruned to eliminate duplicates Z: 15 29.734 2.195 0.821 0.933 1.000 0.643 CB 1.387 15 residues pruned to eliminate duplicates Z: 18 20.629 1.955 0.702 0.530 1.000 0.765 CB 1.460 18 residues pruned to eliminate duplicates Z: 65 39.064 2.078 1.049 0.483 0.875 0.641 CB 1.333 65 residues pruned to eliminate duplicates Z: 16 30.027 2.225 0.689 0.924 0.933 0.933 CB 1.552 16 residues pruned to eliminate duplicates Z: 24 25.398 2.124 0.978 0.460 0.957 0.826 CB 1.373 24 residues pruned to eliminate duplicates Z: 16 29.350 2.082 0.767 0.907 1.000 0.933 CB 1.464 16 residues pruned to eliminate duplicates Z: 16 23.893 2.161 0.289 0.910 1.000 1.000 CB 1.571 16 residues pruned to eliminate duplicates Z: 14 35.223 2.236 1.199 0.828 0.923 0.923 CB 1.621 14 residues pruned to eliminate duplicates Z: 10 16.751 2.011 0.810 0.720 0.889 0.889 CB 1.415 Z: 46 32.153 2.042 1.073 0.435 0.889 0.622 CB 1.363 46 residues pruned to eliminate duplicates Z: 9 13.535 2.012 1.076 0.684 0.875 0.875 CB 1.105 9 residues pruned to eliminate duplicates Z: 9 9.391 1.752 1.074 0.340 0.750 0.375 CB 1.450 Z: 16 39.475 2.189 1.076 0.946 1.000 0.933 CB 1.551 16 residues pruned to eliminate duplicates Z: 16 26.961 1.914 1.158 0.889 1.000 0.733 CB 1.213 16 residues pruned to eliminate duplicates Z: 66 35.971 2.106 0.886 0.496 0.877 0.646 CB 1.286 71 residues pruned to eliminate duplicates Z: 25 16.141 2.031 0.970 0.313 0.833 0.583 CB 1.215 25 residues pruned to eliminate duplicates Z: 61 49.762 2.199 0.936 0.555 0.933 0.700 CB 1.533 61 residues pruned to eliminate duplicates Z: 30 20.655 1.999 0.804 0.429 0.862 0.621 CB 1.328 34 residues pruned to eliminate duplicates Z: 36 37.363 2.189 0.863 0.574 0.943 0.800 CB 1.529 36 residues pruned to eliminate duplicates Z: 92 56.446 2.172 0.951 0.545 0.934 0.648 CB 1.430 92 residues pruned to eliminate duplicates Z: 16 28.740 2.141 0.674 0.921 1.000 1.000 CB 1.456 16 residues pruned to eliminate duplicates Z: 95 65.821 2.221 1.072 0.549 0.936 0.681 CB 1.503 95 residues pruned to eliminate duplicates Z: 13 19.446 1.869 0.707 0.891 1.000 0.917 CB 1.265 13 residues pruned to eliminate duplicates Z: 14 31.022 2.174 1.261 0.822 0.923 0.923 CB 1.435 14 residues pruned to eliminate duplicates Z: 15 16.085 1.911 0.692 0.549 0.929 0.786 CB 1.365 15 residues pruned to eliminate duplicates Z: 13 17.561 1.861 0.645 0.819 1.000 0.750 CB 1.255 13 residues pruned to eliminate duplicates Z: 41 29.958 2.017 1.005 0.563 0.900 0.725 CB 1.225 41 residues pruned to eliminate duplicates Z: 10 17.352 1.852 0.934 0.796 1.000 0.778 CB 1.245 9 residues pruned to eliminate duplicates Z: 10 17.221 1.924 0.945 0.630 0.889 0.778 CB 1.528 10 residues pruned to eliminate duplicates Z: 42 38.800 2.056 1.008 0.583 0.951 0.707 CB 1.425 42 residues pruned to eliminate duplicates Z: 17 37.133 2.109 0.844 0.944 1.000 0.812 CA 1.653 17 residues pruned to eliminate duplicates Z: 35 28.471 2.011 0.884 0.591 0.912 0.794 CB 1.296 35 residues pruned to eliminate duplicates Z: 16 31.593 2.173 0.674 0.943 1.000 0.867 CB 1.554 16 residues pruned to eliminate duplicates Z: 22 19.164 1.998 0.946 0.466 0.857 0.619 CB 1.299 19 residues pruned to eliminate duplicates Z: 16 29.931 2.182 0.586 0.943 1.000 1.000 CB 1.547 16 residues pruned to eliminate duplicates Z: 56 38.635 2.119 0.955 0.503 0.891 0.618 CB 1.407 56 residues pruned to eliminate duplicates Z: 6 14.038 1.884 1.324 0.755 1.000 0.600 CB 1.142 6 residues pruned to eliminate duplicates Z: 90 51.374 2.167 0.954 0.500 0.933 0.652 CB 1.379 102 residues pruned to eliminate duplicates Z: 24 17.434 2.040 0.861 0.451 0.870 0.696 CB 1.158 24 residues pruned to eliminate duplicates Z: 16 31.524 2.167 1.016 0.931 0.933 0.733 CB 1.395 16 residues pruned to eliminate duplicates Z: 81 58.451 2.230 1.039 0.550 0.900 0.713 CB 1.521 81 residues pruned to eliminate duplicates Z: 93 57.333 2.174 0.889 0.556 0.924 0.696 CB 1.492 93 residues pruned to eliminate duplicates Z: 11 12.532 1.783 0.991 0.721 0.900 0.800 CB 1.015 11 residues pruned to eliminate duplicates Z: 37 37.587 2.119 0.965 0.602 0.917 0.472 CB 1.489 37 residues pruned to eliminate duplicates Z: 13 11.714 1.827 0.672 0.579 0.917 0.500 CB 1.119 13 residues pruned to eliminate duplicates Z: 24 23.736 2.129 1.164 0.481 0.913 0.652 CB 1.199 24 residues pruned to eliminate duplicates Z: 15 24.883 1.978 0.885 0.847 1.000 0.500 CB 1.324 15 residues pruned to eliminate duplicates Z: 96 53.972 2.124 0.910 0.536 0.958 0.621 CB 1.375 96 residues pruned to eliminate duplicates Z: 14 17.402 1.853 0.861 0.838 0.923 0.692 CB 1.133 14 residues pruned to eliminate duplicates Z: 43 34.028 2.014 1.092 0.576 0.881 0.548 CB 1.315 43 residues pruned to eliminate duplicates Z: 18 17.759 2.064 1.172 0.508 0.824 0.647 CB 1.158 18 residues pruned to eliminate duplicates Z: 43 33.196 2.127 0.901 0.577 0.881 0.571 CB 1.335 43 residues pruned to eliminate duplicates Z: 9 25.441 2.223 1.270 0.828 1.000 0.875 CB 1.342 9 residues pruned to eliminate duplicates Z: 8 7.346 1.721 0.342 0.463 1.000 0.571 CB 1.249 4 residues pruned to eliminate duplicates Z: 15 40.027 2.279 1.108 0.952 1.000 0.857 CB 1.533 15 residues pruned to eliminate duplicates Z: 15 34.789 2.292 0.836 0.947 1.000 0.929 CB 1.528 15 residues pruned to eliminate duplicates Z: 14 20.321 1.873 0.747 0.840 1.000 0.615 CB 1.285 14 residues pruned to eliminate duplicates Z: 21 21.282 1.997 0.718 0.514 0.950 0.700 CB 1.440 21 residues pruned to eliminate duplicates Z: 10 21.144 2.056 1.423 0.655 0.889 0.778 CB 1.379 10 residues pruned to eliminate duplicates Z: 10 14.007 1.887 0.828 0.687 0.889 0.778 CB 1.282 10 residues pruned to eliminate duplicates Z: 7 5.501 1.698 0.144 0.358 1.000 0.667 CA 1.347 7 residues pruned to eliminate duplicates Z: 11 20.999 1.934 1.032 0.663 1.000 1.000 CB 1.452 Z: 12 13.555 1.886 0.886 0.685 0.818 0.818 CB 1.185 12 residues pruned to eliminate duplicates Z: 16 30.439 2.104 0.819 0.930 1.000 0.800 CB 1.437 16 residues pruned to eliminate duplicates Z: 14 22.806 1.898 0.908 0.840 1.000 0.846 CB 1.303 14 residues pruned to eliminate duplicates Z: 16 15.523 1.956 1.194 0.344 0.800 0.600 CB 1.384 16 residues pruned to eliminate duplicates Z: 10 18.997 2.197 0.998 0.682 0.889 0.889 CB 1.373 10 residues pruned to eliminate duplicates Z: 11 18.663 1.973 0.687 0.699 1.000 0.900 CB 1.478 11 residues pruned to eliminate duplicates Z: 9 7.846 2.035 0.916 0.144 0.750 0.250 CB 1.472 9 residues pruned to eliminate duplicates Z: 14 22.512 1.917 0.920 0.649 1.000 0.692 CB 1.476 14 residues pruned to eliminate duplicates Z: 26 19.246 1.972 1.116 0.479 0.800 0.680 CB 1.178 26 residues pruned to eliminate duplicates Z: 16 37.200 2.202 0.994 0.950 1.000 0.933 CB 1.508 16 residues pruned to eliminate duplicates Z: 10 17.150 2.044 0.721 0.715 1.000 0.778 CB 1.338 10 residues pruned to eliminate duplicates Z: 13 13.363 1.825 0.272 0.864 0.917 0.833 CB 1.329 13 residues pruned to eliminate duplicates Z: 48 35.321 2.117 0.963 0.521 0.872 0.468 CB 1.392 48 residues pruned to eliminate duplicates Z: 66 44.630 2.131 0.994 0.521 0.923 0.646 CB 1.382 66 residues pruned to eliminate duplicates Z: 13 10.641 1.796 0.730 0.631 0.750 0.583 CB 1.165 13 residues pruned to eliminate duplicates Z: 104 58.139 2.169 0.927 0.558 0.922 0.689 CB 1.404 104 residues pruned to eliminate duplicates Z: 35 28.449 2.009 0.871 0.581 0.941 0.676 CB 1.276 35 residues pruned to eliminate duplicates Z: 25 26.814 2.085 0.913 0.505 0.958 0.542 CB 1.425 25 residues pruned to eliminate duplicates Z: 9 11.473 1.908 1.162 0.366 1.000 0.375 CB 1.135 9 residues pruned to eliminate duplicates Z: 31 18.329 1.968 0.985 0.368 0.833 0.600 CB 1.185 31 residues pruned to eliminate duplicates Z: 13 18.557 1.849 0.732 0.843 1.000 0.750 CB 1.246 13 residues pruned to eliminate duplicates Z: 14 18.713 1.908 0.720 0.812 0.923 0.769 CB 1.306 14 residues pruned to eliminate duplicates Z: 12 14.859 1.914 1.082 0.536 0.818 0.818 CB 1.326 12 residues pruned to eliminate duplicates Z: 16 24.163 2.026 0.703 0.911 0.933 0.600 CB 1.373 16 residues pruned to eliminate duplicates Z: 11 15.916 2.009 1.236 0.583 0.800 0.700 CB 1.293 11 residues pruned to eliminate duplicates Z: 16 26.824 2.227 0.497 0.934 0.933 0.933 CA 1.552 16 residues pruned to eliminate duplicates Z: 26 29.404 2.100 0.942 0.624 0.920 0.720 CB 1.394 26 residues pruned to eliminate duplicates Z: 12 11.268 1.802 0.590 0.551 0.909 0.727 CB 1.242 12 residues pruned to eliminate duplicates Z: 16 26.601 2.085 0.823 0.902 0.933 0.867 CB 1.381 16 residues pruned to eliminate duplicates Z: 26 19.371 2.015 0.962 0.450 0.840 0.640 CB 1.229 26 residues pruned to eliminate duplicates Z: 8 7.273 1.713 0.837 0.673 0.857 0.714 CB 0.869 Z: 11 15.340 2.010 0.965 0.577 0.900 0.700 CB 1.267 11 residues pruned to eliminate duplicates Z: 6 7.188 1.593 0.916 0.650 0.800 0.800 CA 1.145 6 residues pruned to eliminate duplicates Z: 16 26.539 2.136 0.936 0.482 1.000 0.667 CA 1.688 16 residues pruned to eliminate duplicates Z: 8 5.586 1.773 0.409 0.331 0.857 0.286 CB 1.186 8 residues pruned to eliminate duplicates Z: 15 31.262 2.190 0.940 0.929 1.000 0.500 CB 1.376 15 residues pruned to eliminate duplicates Z: 15 27.625 2.136 0.823 0.941 1.000 0.500 CB 1.315 15 residues pruned to eliminate duplicates Z: 12 20.362 2.018 0.805 0.723 1.000 0.727 CB 1.379 12 residues pruned to eliminate duplicates Z: 36 41.212 2.148 1.040 0.570 0.971 0.686 CB 1.530 36 residues pruned to eliminate duplicates Z: 20 22.038 1.902 0.838 0.550 1.000 0.737 CB 1.377 20 residues pruned to eliminate duplicates Z: 6 19.119 2.134 1.164 0.700 1.000 0.800 CA 1.543 6 residues pruned to eliminate duplicates Z: 30 25.241 2.060 0.969 0.485 0.931 0.655 CB 1.259 28 residues pruned to eliminate duplicates Z: 10 16.940 1.936 1.127 0.757 1.000 0.778 CB 1.091 10 residues pruned to eliminate duplicates Z: 15 16.439 1.988 0.749 0.546 0.929 0.714 CB 1.301 14 residues pruned to eliminate duplicates Z: 13 21.630 1.867 0.970 0.821 1.000 0.750 CB 1.285 13 residues pruned to eliminate duplicates Z: 17 31.400 2.096 0.683 0.931 1.000 0.812 CB 1.555 17 residues pruned to eliminate duplicates Z: 10 12.272 1.906 0.693 0.603 0.889 0.778 CB 1.294 10 residues pruned to eliminate duplicates Z: 14 21.448 2.028 0.477 0.924 1.000 0.846 CB 1.394 14 residues pruned to eliminate duplicates Z: 95 55.702 2.111 0.934 0.543 0.926 0.660 CB 1.458 95 residues pruned to eliminate duplicates Z: 12 28.420 2.249 1.037 0.914 1.000 0.909 CB 1.323 12 residues pruned to eliminate duplicates Z: 48 32.982 1.996 0.892 0.532 0.936 0.660 CB 1.320 48 residues pruned to eliminate duplicates Z: 39 29.150 1.963 0.781 0.548 0.974 0.763 CB 1.325 39 residues pruned to eliminate duplicates Z: 11 5.466 1.879 0.534 0.213 0.700 0.500 CB 1.202 11 residues pruned to eliminate duplicates Z: 26 15.515 1.879 0.836 0.420 0.880 0.640 CB 1.112 26 residues pruned to eliminate duplicates Z: 14 18.877 1.815 0.680 0.867 1.000 0.923 CB 1.256 14 residues pruned to eliminate duplicates Z: 10 19.273 2.089 1.170 0.638 0.889 0.778 CB 1.401 10 residues pruned to eliminate duplicates Z: 16 24.634 2.107 0.458 0.930 1.000 0.933 CB 1.448 16 residues pruned to eliminate duplicates Z: 24 16.492 1.874 0.522 0.500 0.913 0.739 CB 1.321 24 residues pruned to eliminate duplicates Z: 14 27.752 2.161 1.206 0.613 1.000 0.846 CB 1.450 14 residues pruned to eliminate duplicates Z: 16 35.766 2.216 0.912 0.948 0.933 0.933 CB 1.613 16 residues pruned to eliminate duplicates Z: 15 31.953 2.196 0.868 0.932 1.000 0.571 CB 1.453 15 residues pruned to eliminate duplicates Z: 20 29.797 2.081 0.957 0.527 1.000 0.842 CA 1.635 20 residues pruned to eliminate duplicates Z: 24 25.512 2.142 0.812 0.497 0.957 0.565 CB 1.437 24 residues pruned to eliminate duplicates Z: 46 37.770 2.062 0.916 0.545 0.933 0.711 CB 1.460 46 residues pruned to eliminate duplicates 7 1.996 1.525 0.328 0.248 0.500 0.333 CB 1.077 ? Z: 47 32.668 2.113 0.967 0.508 0.935 0.674 CB 1.230 47 residues pruned to eliminate duplicates Z: 29 25.659 2.054 1.140 0.525 0.893 0.714 CB 1.205 29 residues pruned to eliminate duplicates Z: 15 11.072 1.715 0.878 0.431 0.786 0.571 CB 1.255 15 residues pruned to eliminate duplicates Z: 61 47.715 2.206 1.012 0.547 0.900 0.667 CB 1.473 61 residues pruned to eliminate duplicates Z: 23 33.454 2.154 0.925 0.664 0.955 0.864 CB 1.548 23 residues pruned to eliminate duplicates Z: 6 2.062 1.384 0.184 0.406 0.600 0.400 C 1.034 6 residues pruned to eliminate duplicates Z: 19 17.395 2.062 1.092 0.371 0.833 0.667 CB 1.310 19 residues pruned to eliminate duplicates Z: 36 40.962 2.175 1.104 0.551 0.943 0.686 CB 1.527 36 residues pruned to eliminate duplicates Z: 26 17.631 2.046 0.772 0.337 0.880 0.480 CB 1.320 26 residues pruned to eliminate duplicates Z: 92 52.650 2.131 0.913 0.543 0.912 0.670 CB 1.423 83 residues pruned to eliminate duplicates Z: 15 12.800 1.793 0.646 0.538 0.857 0.714 CB 1.303 11 residues pruned to eliminate duplicates Z: 14 16.291 1.742 0.732 0.850 1.000 0.923 CB 1.109 14 residues pruned to eliminate duplicates Z: 18 21.535 2.042 0.936 0.581 0.824 0.588 CB 1.484 18 residues pruned to eliminate duplicates Z: 42 34.643 2.044 0.905 0.556 0.927 0.683 CB 1.419 42 residues pruned to eliminate duplicates Z: 51 31.835 2.076 0.869 0.461 0.880 0.580 CB 1.372 51 residues pruned to eliminate duplicates Z: 7 6.645 1.978 0.554 0.487 1.000 0.333 CB 0.895 7 residues pruned to eliminate duplicates Z: 26 31.899 2.153 0.957 0.625 0.880 0.680 CB 1.529 26 residues pruned to eliminate duplicates Z: 7 3.434 1.700 0.263 0.404 0.833 0.667 CB 0.867 7 residues pruned to eliminate duplicates Z: 34 30.875 2.034 0.756 0.584 0.970 0.848 CB 1.431 34 residues pruned to eliminate duplicates Z: 6 2.190 1.618 0.119 0.417 0.600 0.400 C 0.982 5 residues pruned to eliminate duplicates Z: 26 22.491 2.035 1.054 0.457 0.880 0.800 CB 1.278 26 residues pruned to eliminate duplicates Z: 6 4.157 1.992 0.531 0.453 0.600 0.400 CB 1.066 6 residues pruned to eliminate duplicates Z: 19 17.983 1.991 0.950 0.508 0.889 0.444 CB 1.218 19 residues pruned to eliminate duplicates Z: 15 37.958 2.186 1.088 0.939 1.000 0.929 CB 1.544 15 residues pruned to eliminate duplicates Z: 30 16.548 1.964 0.633 0.467 0.862 0.759 CB 1.149 31 residues pruned to eliminate duplicates Z: 14 17.386 1.846 0.777 0.875 0.923 0.538 CB 1.158 14 residues pruned to eliminate duplicates Z: 26 23.997 2.171 1.020 0.407 0.840 0.720 CB 1.437 26 residues pruned to eliminate duplicates Z: 11 24.762 2.016 0.961 0.798 1.000 1.000 CB 1.527 12 residues pruned to eliminate duplicates Z: 17 14.376 2.080 0.783 0.458 0.812 0.500 CB 1.245 17 residues pruned to eliminate duplicates Z: 7 3.525 1.518 -0.049 0.797 1.000 0.667 CB 0.769 Z: 11 20.324 2.026 1.048 0.812 0.900 0.300 CA 1.312 11 residues pruned to eliminate duplicates Z: 14 22.589 2.172 1.065 0.478 0.923 0.692 CB 1.547 14 residues pruned to eliminate duplicates Z: 11 22.580 2.015 0.872 0.706 1.000 0.900 CB 1.570 11 residues pruned to eliminate duplicates Z: 29 23.322 2.063 1.032 0.459 0.929 0.714 CB 1.181 29 residues pruned to eliminate duplicates Z: 38 23.192 1.955 0.659 0.511 0.919 0.757 CB 1.265 38 residues pruned to eliminate duplicates Z: 61 47.538 2.215 0.947 0.549 0.900 0.600 CB 1.508 61 residues pruned to eliminate duplicates Z: 6 6.950 1.550 0.430 0.618 1.000 0.800 O 1.254 6 residues pruned to eliminate duplicates Z: 15 13.706 1.918 0.879 0.523 0.857 0.571 CB 1.159 15 residues pruned to eliminate duplicates Z: 14 23.383 1.885 0.820 0.887 1.000 0.923 CB 1.362 14 residues pruned to eliminate duplicates Z: 14 23.151 1.871 0.844 0.866 1.000 0.769 CB 1.363 14 residues pruned to eliminate duplicates Z: 12 32.595 2.315 1.178 0.860 0.909 0.455 CA 1.577 12 residues pruned to eliminate duplicates Z: 6 2.586 1.312 0.302 0.622 1.000 0.800 CB 0.603 Z: 7 4.015 1.326 0.803 0.485 0.833 0.500 N 0.835 Z: 11 20.564 1.950 0.886 0.718 1.000 0.900 CB 1.451 11 residues pruned to eliminate duplicates Z: 41 39.577 2.138 0.922 0.585 0.925 0.650 CB 1.518 41 residues pruned to eliminate duplicates Z: 13 17.844 1.849 0.665 0.815 1.000 0.833 CB 1.273 13 residues pruned to eliminate duplicates Z: 12 35.301 2.254 1.104 0.892 1.000 0.909 CB 1.612 12 residues pruned to eliminate duplicates Z: 50 49.640 2.160 1.102 0.528 0.959 0.653 CB 1.585 50 residues pruned to eliminate duplicates Z: 13 26.015 1.961 1.089 0.891 1.000 0.750 CB 1.318 13 residues pruned to eliminate duplicates Z: 14 24.404 1.878 1.196 0.825 0.923 0.846 CB 1.341 14 residues pruned to eliminate duplicates Z: 45 33.436 2.096 0.864 0.552 0.886 0.545 CB 1.384 45 residues pruned to eliminate duplicates Z: 6 4.621 1.464 0.551 0.841 1.000 1.000 CB 0.679 6 residues pruned to eliminate duplicates Z: 26 22.474 2.073 1.120 0.470 0.880 0.600 CB 1.199 26 residues pruned to eliminate duplicates Z: 18 20.947 2.004 0.948 0.577 0.882 0.765 CB 1.369 18 residues pruned to eliminate duplicates Z: 35 31.616 2.057 0.951 0.498 0.941 0.676 CB 1.439 34 residues pruned to eliminate duplicates Z: 14 11.651 1.966 1.017 0.433 0.923 0.615 CB 0.947 14 residues pruned to eliminate duplicates Z: 47 37.901 2.208 1.023 0.508 0.870 0.696 CB 1.428 47 residues pruned to eliminate duplicates Z: 11 22.217 1.924 1.087 0.712 1.000 0.900 CB 1.444 11 residues pruned to eliminate duplicates Z: 45 39.791 2.098 1.010 0.566 0.932 0.705 CB 1.432 46 residues pruned to eliminate duplicates Z: 12 16.971 1.789 0.506 0.919 1.000 1.000 CB 1.338 12 residues pruned to eliminate duplicates Z: 13 19.145 1.852 0.614 0.924 1.000 0.833 CB 1.298 13 residues pruned to eliminate duplicates Z: 11 33.650 2.300 1.113 0.889 1.000 0.900 CA 1.577 11 residues pruned to eliminate duplicates Z: 11 14.468 1.993 0.921 0.641 0.900 0.900 CB 1.164 Z: 63 35.535 2.120 0.797 0.467 0.871 0.516 CB 1.407 63 residues pruned to eliminate duplicates Z: 7 6.613 1.779 0.369 0.539 0.833 0.667 CB 1.281 7 residues pruned to eliminate duplicates Z: 15 18.732 1.954 1.000 0.573 0.929 0.643 CB 1.285 11 residues pruned to eliminate duplicates Z: 12 9.953 1.699 0.628 0.586 0.909 0.818 CB 1.099 Z: 95 57.054 2.115 0.951 0.544 0.947 0.702 CB 1.442 94 residues pruned to eliminate duplicates Z: 47 39.146 2.092 1.007 0.531 0.957 0.696 CB 1.394 46 residues pruned to eliminate duplicates Z: 48 37.016 2.051 0.966 0.532 0.915 0.638 CB 1.418 48 residues pruned to eliminate duplicates Z: 18 21.061 2.079 0.782 0.484 0.882 0.706 CA 1.588 18 residues pruned to eliminate duplicates Z: 81 48.565 2.128 0.788 0.528 0.950 0.663 CB 1.462 81 residues pruned to eliminate duplicates Z: 9 21.921 2.208 1.193 0.857 1.000 0.875 CB 1.180 9 residues pruned to eliminate duplicates Z: 16 30.097 2.069 0.793 0.931 1.000 0.933 CB 1.464 16 residues pruned to eliminate duplicates Z: 6 7.330 1.542 0.645 0.686 1.000 0.800 C 1.089 10 residues pruned to eliminate duplicates Z: 36 26.583 1.976 0.799 0.552 0.914 0.571 CB 1.314 36 residues pruned to eliminate duplicates Z: 9 12.660 2.053 0.682 0.747 0.875 0.875 CB 1.188 9 residues pruned to eliminate duplicates Z: 7 4.283 1.778 0.362 0.457 0.833 0.500 CB 0.905 7 residues pruned to eliminate duplicates 6 0.641 1.099 0.101 0.458 0.600 0.600 CB 0.412 ? Z: 8 3.029 1.567 -0.073 0.356 0.857 0.286 CB 1.074 Z: 51 41.702 2.194 0.918 0.568 0.900 0.600 CB 1.458 51 residues pruned to eliminate duplicates Z: 6 8.699 1.861 0.782 0.671 0.800 0.600 CB 1.252 6 residues pruned to eliminate duplicates Z: 43 40.046 2.146 0.873 0.617 0.976 0.667 CB 1.410 43 residues pruned to eliminate duplicates Z: 94 55.086 2.132 0.865 0.544 0.935 0.688 CB 1.470 94 residues pruned to eliminate duplicates Z: 14 20.701 2.031 1.046 0.628 0.923 0.769 CB 1.327 14 residues pruned to eliminate duplicates Z: 7 5.368 1.417 0.506 0.409 1.000 0.667 O 1.130 Z: 8 18.195 2.214 0.657 0.605 1.000 0.857 CA 1.698 8 residues pruned to eliminate duplicates Z: 40 38.886 2.068 1.034 0.556 0.949 0.615 CA 1.478 40 residues pruned to eliminate duplicates Z: 10 12.415 1.922 0.392 0.653 0.889 0.667 CA 1.510 10 residues pruned to eliminate duplicates Z: 13 8.514 1.905 0.760 0.407 0.917 0.667 CB 0.882 13 residues pruned to eliminate duplicates Z: 41 16.340 1.762 0.722 0.429 0.850 0.575 CB 1.078 41 residues pruned to eliminate duplicates Z: 31 33.980 2.006 0.970 0.688 0.967 0.833 CB 1.367 31 residues pruned to eliminate duplicates Z: 6 4.065 1.445 0.290 0.630 1.000 1.000 CB 0.864 Z: 13 18.725 1.823 0.826 0.862 1.000 0.833 CB 1.192 13 residues pruned to eliminate duplicates Z: 64 42.391 2.150 1.008 0.510 0.841 0.683 CB 1.456 64 residues pruned to eliminate duplicates Z: 16 25.968 2.054 0.975 0.504 1.000 0.733 CA 1.645 16 residues pruned to eliminate duplicates Z: 17 28.905 2.160 0.982 0.705 1.000 0.812 CB 1.401 17 residues pruned to eliminate duplicates Z: 20 18.554 2.181 0.855 0.391 0.842 0.737 CB 1.403 20 residues pruned to eliminate duplicates Z: 19 28.878 2.065 1.163 0.531 0.944 0.667 CB 1.565 19 residues pruned to eliminate duplicates Z: 12 15.312 1.951 0.772 0.573 0.909 0.636 CB 1.369 12 residues pruned to eliminate duplicates Z: 37 32.098 2.006 0.986 0.571 0.944 0.694 CB 1.328 37 residues pruned to eliminate duplicates Z: 11 9.112 2.122 0.180 0.338 1.000 0.700 CB 1.373 11 residues pruned to eliminate duplicates Z: 6 3.782 1.558 -0.182 0.662 1.000 1.000 N 1.142 Z: 9 12.033 1.976 0.405 0.890 1.000 0.375 CB 1.103 9 residues pruned to eliminate duplicates Z: 52 39.641 2.075 0.933 0.565 0.941 0.765 CB 1.381 52 residues pruned to eliminate duplicates Z: 70 49.655 2.128 1.033 0.567 0.942 0.725 CB 1.374 70 residues pruned to eliminate duplicates Z: 14 19.725 2.077 1.041 0.843 0.846 0.692 CB 1.135 14 residues pruned to eliminate duplicates Z: 9 19.732 2.060 1.066 0.648 0.875 0.750 CB 1.631 9 residues pruned to eliminate duplicates Z: 9 6.619 1.793 0.743 0.744 0.875 0.875 CB 0.688 Z: 14 25.028 1.877 0.976 0.884 1.000 0.923 CB 1.352 14 residues pruned to eliminate duplicates Z: 63 50.106 2.143 1.121 0.560 0.919 0.677 CB 1.437 63 residues pruned to eliminate duplicates Z: 7 10.547 1.964 0.596 0.749 1.000 0.833 CB 1.100 7 residues pruned to eliminate duplicates Z: 81 63.044 2.210 1.090 0.537 0.963 0.688 CB 1.529 82 residues pruned to eliminate duplicates Z: 6 7.307 1.941 0.181 0.467 1.000 0.600 CA 1.475 6 residues pruned to eliminate duplicates Z: 15 32.012 2.148 0.772 0.929 1.000 0.929 CB 1.574 15 residues pruned to eliminate duplicates Z: 72 45.570 2.123 0.792 0.522 0.930 0.690 CB 1.496 72 residues pruned to eliminate duplicates Z: 15 20.858 1.976 0.998 0.621 0.929 0.786 CB 1.357 15 residues pruned to eliminate duplicates Z: 23 17.529 1.975 0.754 0.396 0.909 0.636 CB 1.325 23 residues pruned to eliminate duplicates Z: 6 2.280 1.441 0.437 0.298 0.800 0.800 N 0.771 Z: 6 4.134 1.300 0.313 0.778 1.000 0.600 CB 0.847 Z: 15 27.054 2.164 0.621 0.931 1.000 1.000 CB 1.441 15 residues pruned to eliminate duplicates Z: 10 22.918 2.047 0.755 0.900 1.000 0.778 CA 1.518 10 residues pruned to eliminate duplicates Z: 21 14.176 1.820 0.805 0.412 0.950 0.650 CB 1.114 21 residues pruned to eliminate duplicates Z: 42 46.370 2.151 1.008 0.611 1.000 0.683 CB 1.509 42 residues pruned to eliminate duplicates Z: 7 4.098 1.546 0.046 0.475 1.000 0.333 CB 1.061 Z: 26 26.782 1.985 1.128 0.571 0.920 0.640 CB 1.287 26 residues pruned to eliminate duplicates Z: 34 35.177 2.058 0.928 0.567 0.970 0.636 CB 1.491 34 residues pruned to eliminate duplicates 395 residues left after pruning, divided into chains as follows: A: 122 B: 12 C: 11 D: 121 E: 11 F: 108 G: 10 CC for partial structure against native data = 42.69 % ------------------------------------------------------------------------------ Global autotracing cycle 2 = 0.300, Contrast = 0.455, Connect. = 0.739 for dens.mod. cycle 1 = 0.300, Contrast = 0.527, Connect. = 0.767 for dens.mod. cycle 2 = 0.300, Contrast = 0.632, Connect. = 0.791 for dens.mod. cycle 3 = 0.300, Contrast = 0.644, Connect. = 0.794 for dens.mod. cycle 4 = 0.300, Contrast = 0.657, Connect. = 0.796 for dens.mod. cycle 5 = 0.300, Contrast = 0.663, Connect. = 0.797 for dens.mod. cycle 6 = 0.300, Contrast = 0.670, Connect. = 0.799 for dens.mod. cycle 7 = 0.300, Contrast = 0.674, Connect. = 0.800 for dens.mod. cycle 8 = 0.300, Contrast = 0.678, Connect. = 0.800 for dens.mod. cycle 9 = 0.300, Contrast = 0.680, Connect. = 0.801 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2283 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 541 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 30.489 2.355 0.585 0.801 1.000 0.750 CA 1.812 B: 10 37.597 2.573 0.811 0.926 1.000 0.778 CB 1.886 13 residues pruned to eliminate duplicates C: 11 39.402 2.490 0.965 0.905 1.000 0.800 CB 1.812 10 residues pruned to eliminate duplicates D: 10 27.546 2.515 0.436 0.921 1.000 0.889 CB 1.789 10 residues pruned to eliminate duplicates E: 11 38.527 2.519 0.747 0.922 1.000 1.000 CA 1.947 F: 15 32.235 2.172 0.756 0.891 0.929 0.929 CB 1.748 12 residues pruned to eliminate duplicates G: 13 44.130 2.331 1.284 0.848 1.000 0.833 CA 1.776 14 residues pruned to eliminate duplicates H: 14 42.771 2.248 1.303 0.872 1.000 0.923 CB 1.670 14 residues pruned to eliminate duplicates I: 16 35.104 2.370 0.704 0.910 0.933 0.933 CB 1.705 J: 13 38.168 2.368 0.916 0.856 1.000 0.833 CB 1.791 13 residues pruned to eliminate duplicates K: 12 23.545 2.267 0.441 0.933 1.000 1.000 CA 1.516 L: 17 16.947 1.861 0.783 0.616 0.875 0.750 CB 1.307 M: 11 40.243 2.482 0.949 0.916 1.000 0.800 CA 1.858 11 residues pruned to eliminate duplicates N: 16 26.997 2.264 0.340 0.913 1.000 0.800 CB 1.626 16 residues pruned to eliminate duplicates O: 11 20.831 2.209 0.380 0.847 0.900 0.800 CB 1.783 11 residues pruned to eliminate duplicates P: 105 60.625 2.249 0.870 0.491 0.904 0.606 CB 1.578 12 residues pruned to eliminate duplicates Q: 15 27.962 2.101 0.975 0.857 0.857 0.786 CA 1.548 15 residues pruned to eliminate duplicates R: 14 33.654 2.230 0.770 0.876 1.000 0.846 CB 1.719 14 residues pruned to eliminate duplicates S: 15 18.197 1.981 0.610 0.665 0.929 0.857 CB 1.409 16 residues pruned to eliminate duplicates T: 49 47.945 2.266 0.882 0.540 0.958 0.729 CB 1.628 32 residues pruned to eliminate duplicates U: 13 17.772 2.097 0.844 0.556 0.917 0.583 CB 1.371 V: 16 30.134 2.027 1.163 0.843 0.933 0.867 CB 1.415 16 residues pruned to eliminate duplicates W: 13 25.850 2.302 0.622 0.825 0.917 0.750 CB 1.646 13 residues pruned to eliminate duplicates X: 62 53.608 2.259 0.768 0.566 0.934 0.639 CB 1.726 15 residues pruned to eliminate duplicates Y: 35 35.907 2.081 0.858 0.596 0.941 0.676 CB 1.544 Z: 10 18.127 1.982 1.106 0.609 0.778 0.667 CB 1.677 10 residues pruned to eliminate duplicates Z: 13 29.309 2.208 0.848 0.867 0.917 0.917 CA 1.655 13 residues pruned to eliminate duplicates Z: 17 24.017 2.172 0.834 0.503 0.938 0.750 CA 1.603 17 residues pruned to eliminate duplicates Z: 95 66.063 2.282 0.796 0.554 0.936 0.628 CB 1.684 95 residues pruned to eliminate duplicates Z: 18 25.171 2.087 0.530 0.870 0.941 0.765 CB 1.482 18 residues pruned to eliminate duplicates Z: 94 64.239 2.235 0.812 0.572 0.935 0.731 CB 1.639 95 residues pruned to eliminate duplicates Z: 15 19.696 2.095 0.380 0.810 0.857 0.857 CB 1.622 15 residues pruned to eliminate duplicates Z: 15 28.515 2.274 0.568 0.927 1.000 0.857 CB 1.498 15 residues pruned to eliminate duplicates Z: 13 45.004 2.377 1.152 0.877 1.000 0.833 CA 1.844 13 residues pruned to eliminate duplicates Z: 15 35.156 2.136 1.044 0.804 1.000 0.714 CA 1.650 15 residues pruned to eliminate duplicates Z: 16 28.094 2.269 0.700 0.861 0.933 0.800 CB 1.480 16 residues pruned to eliminate duplicates Z: 14 22.090 1.828 0.798 0.858 1.000 0.692 CB 1.373 14 residues pruned to eliminate duplicates Z: 35 38.424 2.230 0.754 0.584 0.971 0.735 CB 1.602 35 residues pruned to eliminate duplicates Z: 81 56.240 2.205 0.807 0.536 0.950 0.688 CB 1.604 81 residues pruned to eliminate duplicates Z: 13 37.887 2.282 0.897 0.932 1.000 0.750 CB 1.764 13 residues pruned to eliminate duplicates Z: 15 29.496 2.119 1.045 0.831 0.929 0.714 CB 1.471 15 residues pruned to eliminate duplicates Z: 22 20.150 2.145 0.856 0.399 0.810 0.714 CB 1.518 22 residues pruned to eliminate duplicates Z: 15 35.073 2.380 0.622 0.939 1.000 1.000 CB 1.687 15 residues pruned to eliminate duplicates Z: 58 48.612 2.317 0.763 0.527 0.947 0.684 CB 1.620 28 residues pruned to eliminate duplicates Z: 9 17.884 2.007 1.170 0.753 0.875 0.750 CB 1.324 10 residues pruned to eliminate duplicates Z: 94 61.424 2.221 0.779 0.564 0.935 0.667 CB 1.619 95 residues pruned to eliminate duplicates Z: 14 29.016 2.235 0.724 0.856 0.923 0.846 CA 1.669 14 residues pruned to eliminate duplicates Z: 17 25.626 2.133 0.529 0.928 0.938 0.812 CB 1.467 17 residues pruned to eliminate duplicates Z: 39 36.766 2.131 0.875 0.551 0.921 0.605 CB 1.542 39 residues pruned to eliminate duplicates Z: 17 10.588 1.838 0.514 0.455 0.812 0.500 CB 1.225 17 residues pruned to eliminate duplicates Z: 47 38.541 2.094 0.894 0.536 0.957 0.674 CB 1.446 11 residues pruned to eliminate duplicates Z: 61 49.595 2.253 0.807 0.556 0.900 0.683 CB 1.655 61 residues pruned to eliminate duplicates Z: 13 12.960 1.850 0.573 0.493 1.000 0.750 CA 1.294 13 residues pruned to eliminate duplicates Z: 15 29.255 2.281 0.588 0.931 1.000 0.857 CB 1.509 15 residues pruned to eliminate duplicates Z: 50 37.279 2.123 0.802 0.548 0.939 0.633 CB 1.416 50 residues pruned to eliminate duplicates Z: 51 36.043 2.100 0.913 0.508 0.880 0.640 CB 1.431 51 residues pruned to eliminate duplicates Z: 85 52.379 2.227 0.765 0.517 0.917 0.619 CB 1.559 60 residues pruned to eliminate duplicates Z: 17 30.171 2.134 0.607 0.919 1.000 0.812 CB 1.550 17 residues pruned to eliminate duplicates Z: 21 26.932 2.000 0.689 0.799 0.950 0.600 CA 1.445 21 residues pruned to eliminate duplicates Z: 14 36.821 2.242 0.897 0.872 1.000 1.000 CB 1.750 14 residues pruned to eliminate duplicates Z: 18 27.847 2.151 0.601 0.871 0.941 0.706 CA 1.521 18 residues pruned to eliminate duplicates Z: 13 32.521 2.290 0.843 0.923 1.000 0.750 CA 1.564 13 residues pruned to eliminate duplicates Z: 15 32.758 2.272 0.776 0.915 1.000 0.786 CA 1.533 15 residues pruned to eliminate duplicates Z: 93 57.981 2.243 0.766 0.565 0.946 0.728 CB 1.515 93 residues pruned to eliminate duplicates Z: 16 26.540 2.221 0.401 0.926 1.000 0.867 CB 1.545 16 residues pruned to eliminate duplicates Z: 9 15.663 2.032 1.034 0.609 0.750 0.750 N 1.610 9 residues pruned to eliminate duplicates Z: 48 35.101 2.193 0.673 0.498 0.894 0.596 CB 1.565 48 residues pruned to eliminate duplicates Z: 94 61.078 2.215 0.791 0.550 0.925 0.624 CB 1.643 94 residues pruned to eliminate duplicates Z: 15 29.547 2.124 1.129 0.808 0.857 0.857 CA 1.558 15 residues pruned to eliminate duplicates Z: 12 38.258 2.481 1.051 0.840 1.000 0.545 CB 1.693 12 residues pruned to eliminate duplicates Z: 15 32.643 2.155 1.049 0.835 0.929 0.857 CB 1.595 15 residues pruned to eliminate duplicates Z: 51 39.215 2.122 0.865 0.542 0.940 0.600 CB 1.430 51 residues pruned to eliminate duplicates Z: 11 16.629 2.151 0.792 0.504 0.900 0.700 CA 1.510 11 residues pruned to eliminate duplicates Z: 16 30.334 2.275 0.429 0.939 1.000 1.000 CB 1.674 16 residues pruned to eliminate duplicates Z: 13 36.622 2.254 1.239 0.918 0.917 0.750 CA 1.612 13 residues pruned to eliminate duplicates Z: 18 18.203 2.101 0.793 0.497 0.882 0.588 CB 1.333 18 residues pruned to eliminate duplicates Z: 12 34.429 2.337 0.948 0.896 1.000 0.818 CA 1.634 12 residues pruned to eliminate duplicates Z: 16 15.577 1.888 0.727 0.519 0.933 0.733 CB 1.297 17 residues pruned to eliminate duplicates Z: 13 31.884 2.311 0.823 0.836 1.000 0.917 CA 1.634 13 residues pruned to eliminate duplicates Z: 35 40.191 2.270 0.811 0.576 0.971 0.676 CB 1.606 35 residues pruned to eliminate duplicates Z: 65 47.244 2.295 0.813 0.519 0.859 0.594 CB 1.622 65 residues pruned to eliminate duplicates Z: 59 49.069 2.294 0.756 0.540 0.914 0.638 CB 1.683 59 residues pruned to eliminate duplicates Z: 16 33.023 2.305 0.471 0.933 1.000 0.933 CB 1.754 16 residues pruned to eliminate duplicates Z: 17 26.405 2.211 0.576 0.891 0.938 0.750 CA 1.452 17 residues pruned to eliminate duplicates Z: 13 31.180 2.351 0.812 0.802 0.917 0.833 CB 1.770 13 residues pruned to eliminate duplicates Z: 13 25.940 2.219 0.600 0.844 1.000 0.833 CB 1.570 13 residues pruned to eliminate duplicates Z: 14 32.048 2.185 1.040 0.867 0.923 0.923 CA 1.580 14 residues pruned to eliminate duplicates Z: 16 27.966 2.237 0.839 0.916 0.867 0.867 CB 1.431 16 residues pruned to eliminate duplicates Z: 11 13.358 2.079 0.561 0.500 0.900 0.800 CB 1.446 11 residues pruned to eliminate duplicates Z: 94 64.138 2.215 0.854 0.564 0.946 0.656 CB 1.608 94 residues pruned to eliminate duplicates Z: 14 35.566 2.254 1.059 0.828 0.923 0.692 CB 1.734 14 residues pruned to eliminate duplicates Z: 16 12.391 1.911 0.508 0.552 0.867 0.733 CB 1.218 16 residues pruned to eliminate duplicates Z: 15 36.176 2.395 0.694 0.941 1.000 1.000 CB 1.654 15 residues pruned to eliminate duplicates Z: 15 31.225 2.375 0.419 0.924 1.000 0.857 CB 1.740 15 residues pruned to eliminate duplicates Z: 13 20.832 2.123 0.955 0.530 1.000 0.583 CB 1.407 Z: 12 33.884 2.342 0.986 0.917 1.000 0.909 CB 1.550 12 residues pruned to eliminate duplicates Z: 15 38.580 2.103 1.261 0.850 1.000 0.786 CB 1.606 15 residues pruned to eliminate duplicates Z: 22 15.274 2.053 0.658 0.369 0.810 0.476 CB 1.392 22 residues pruned to eliminate duplicates Z: 14 35.457 2.243 1.186 0.824 0.923 0.769 CB 1.642 14 residues pruned to eliminate duplicates Z: 94 62.749 2.208 0.919 0.562 0.914 0.624 CB 1.583 94 residues pruned to eliminate duplicates Z: 15 31.761 2.277 0.760 0.942 1.000 0.786 CB 1.469 15 residues pruned to eliminate duplicates Z: 95 62.134 2.257 0.838 0.508 0.926 0.606 CB 1.657 95 residues pruned to eliminate duplicates Z: 49 46.139 2.214 0.994 0.513 0.917 0.562 CB 1.625 49 residues pruned to eliminate duplicates Z: 16 31.314 2.279 0.485 0.921 1.000 0.933 CB 1.682 16 residues pruned to eliminate duplicates Z: 94 64.039 2.234 0.815 0.560 0.946 0.656 CB 1.633 94 residues pruned to eliminate duplicates Z: 14 38.459 2.389 0.744 0.947 1.000 0.923 CB 1.769 14 residues pruned to eliminate duplicates Z: 46 39.816 2.263 0.669 0.507 0.978 0.644 CB 1.596 46 residues pruned to eliminate duplicates Z: 8 21.554 2.347 0.836 0.887 0.857 0.857 CA 1.590 8 residues pruned to eliminate duplicates Z: 10 10.476 1.692 0.751 0.495 1.000 0.667 CB 1.184 9 residues pruned to eliminate duplicates Z: 25 22.747 2.094 0.767 0.456 0.917 0.667 CB 1.432 25 residues pruned to eliminate duplicates Z: 15 20.348 2.062 0.792 0.484 0.929 0.714 CB 1.611 15 residues pruned to eliminate duplicates Z: 17 22.344 2.142 0.159 0.923 1.000 0.875 CB 1.581 17 residues pruned to eliminate duplicates Z: 17 19.802 1.958 0.939 0.586 0.875 0.625 CB 1.372 28 residues pruned to eliminate duplicates Z: 18 19.488 2.134 0.897 0.484 0.941 0.647 CB 1.260 18 residues pruned to eliminate duplicates Z: 94 61.892 2.227 0.799 0.555 0.935 0.742 CB 1.623 94 residues pruned to eliminate duplicates Z: 66 46.325 2.232 0.793 0.501 0.923 0.631 CB 1.554 66 residues pruned to eliminate duplicates Z: 14 30.787 2.227 0.811 0.861 1.000 0.846 CB 1.555 14 residues pruned to eliminate duplicates Z: 14 26.819 2.269 0.714 0.927 0.923 0.769 CB 1.452 14 residues pruned to eliminate duplicates Z: 15 13.156 1.931 0.361 0.563 0.929 0.714 CB 1.355 15 residues pruned to eliminate duplicates Z: 54 34.992 2.002 0.692 0.503 0.925 0.642 CB 1.530 54 residues pruned to eliminate duplicates Z: 35 32.146 2.104 0.684 0.581 0.941 0.676 CB 1.529 35 residues pruned to eliminate duplicates Z: 17 29.528 2.192 0.502 0.950 1.000 0.875 CA 1.546 17 residues pruned to eliminate duplicates Z: 86 49.662 2.203 0.746 0.514 0.882 0.671 CB 1.565 85 residues pruned to eliminate duplicates Z: 14 41.083 2.241 1.167 0.856 1.000 0.769 CB 1.729 14 residues pruned to eliminate duplicates Z: 94 61.540 2.241 0.728 0.561 0.946 0.720 CB 1.642 94 residues pruned to eliminate duplicates Z: 94 56.761 2.249 0.722 0.540 0.946 0.688 CB 1.545 94 residues pruned to eliminate duplicates Z: 114 56.723 2.238 0.712 0.534 0.920 0.655 CB 1.463 105 residues pruned to eliminate duplicates Z: 11 11.578 1.943 0.527 0.574 0.800 0.800 CB 1.437 11 residues pruned to eliminate duplicates Z: 70 51.581 2.228 0.853 0.536 0.942 0.652 CB 1.541 72 residues pruned to eliminate duplicates Z: 16 23.961 2.226 0.429 0.898 0.933 0.800 CA 1.490 16 residues pruned to eliminate duplicates Z: 49 42.624 2.172 1.030 0.568 0.917 0.729 CB 1.425 50 residues pruned to eliminate duplicates Z: 10 14.946 1.957 0.830 0.709 0.889 0.778 CB 1.294 Z: 95 68.402 2.303 0.847 0.546 0.936 0.670 CB 1.694 96 residues pruned to eliminate duplicates Z: 14 35.461 2.262 0.969 0.866 0.923 0.846 CB 1.751 14 residues pruned to eliminate duplicates Z: 18 15.285 2.106 0.708 0.488 0.824 0.529 CB 1.266 18 residues pruned to eliminate duplicates Z: 14 31.521 2.273 0.908 0.831 0.923 0.846 CB 1.641 14 residues pruned to eliminate duplicates Z: 43 42.011 2.269 0.731 0.579 0.952 0.667 CB 1.607 43 residues pruned to eliminate duplicates Z: 14 10.801 1.991 0.848 0.382 0.846 0.538 CB 1.091 14 residues pruned to eliminate duplicates Z: 15 35.938 2.388 0.649 0.943 1.000 0.643 CB 1.690 15 residues pruned to eliminate duplicates Z: 95 61.859 2.257 0.818 0.536 0.894 0.628 CB 1.680 95 residues pruned to eliminate duplicates Z: 94 58.612 2.223 0.744 0.561 0.968 0.667 CB 1.527 94 residues pruned to eliminate duplicates Z: 30 33.065 2.202 0.719 0.527 0.966 0.655 CB 1.637 30 residues pruned to eliminate duplicates Z: 14 23.552 2.257 0.522 0.925 0.923 0.846 CB 1.446 14 residues pruned to eliminate duplicates Z: 17 32.209 2.237 0.740 0.905 0.938 0.875 CA 1.570 17 residues pruned to eliminate duplicates Z: 42 44.727 2.270 0.936 0.576 0.927 0.756 CB 1.593 42 residues pruned to eliminate duplicates Z: 15 21.438 1.817 0.773 0.884 1.000 0.929 CB 1.286 15 residues pruned to eliminate duplicates Z: 24 18.950 2.073 0.806 0.468 0.913 0.696 CB 1.195 24 residues pruned to eliminate duplicates Z: 44 38.574 2.223 0.717 0.597 0.907 0.581 CB 1.548 44 residues pruned to eliminate duplicates Z: 31 23.584 2.075 0.648 0.516 0.833 0.533 CA 1.486 31 residues pruned to eliminate duplicates Z: 11 20.654 2.170 1.042 0.555 0.900 0.800 CA 1.553 11 residues pruned to eliminate duplicates Z: 35 40.966 2.268 0.788 0.590 0.971 0.735 CB 1.637 35 residues pruned to eliminate duplicates Z: 16 36.082 2.345 0.746 0.911 1.000 0.800 CB 1.612 16 residues pruned to eliminate duplicates Z: 11 17.359 2.117 0.914 0.574 0.900 0.700 CB 1.401 11 residues pruned to eliminate duplicates Z: 12 16.997 1.919 0.831 0.629 1.000 0.818 CB 1.291 10 residues pruned to eliminate duplicates Z: 10 17.277 2.000 0.870 0.629 0.889 0.778 CA 1.535 10 residues pruned to eliminate duplicates Z: 10 25.853 2.372 0.557 0.889 1.000 0.889 CB 1.680 10 residues pruned to eliminate duplicates Z: 16 38.066 2.265 0.762 0.935 1.000 0.800 CB 1.716 16 residues pruned to eliminate duplicates Z: 17 17.555 2.073 0.715 0.449 1.000 0.562 CB 1.300 12 residues pruned to eliminate duplicates Z: 18 15.241 2.105 0.640 0.487 0.882 0.647 CB 1.229 18 residues pruned to eliminate duplicates Z: 16 25.695 2.285 0.297 0.919 1.000 0.800 CB 1.577 16 residues pruned to eliminate duplicates Z: 23 16.203 1.939 0.803 0.357 0.864 0.591 CB 1.335 23 residues pruned to eliminate duplicates Z: 16 38.450 2.285 0.822 0.947 1.000 0.733 CB 1.648 16 residues pruned to eliminate duplicates Z: 10 21.484 2.199 1.060 0.649 0.889 0.889 CB 1.548 10 residues pruned to eliminate duplicates Z: 10 19.347 2.057 1.087 0.738 0.889 0.889 CB 1.366 10 residues pruned to eliminate duplicates Z: 23 27.516 2.128 1.128 0.496 1.000 0.636 CB 1.301 23 residues pruned to eliminate duplicates Z: 81 48.948 2.168 0.747 0.537 0.887 0.675 CB 1.570 80 residues pruned to eliminate duplicates Z: 15 21.889 1.797 0.852 0.842 1.000 0.786 CB 1.310 15 residues pruned to eliminate duplicates Z: 106 58.791 2.212 0.739 0.550 0.933 0.695 CB 1.522 106 residues pruned to eliminate duplicates Z: 42 35.215 2.132 0.816 0.560 0.902 0.683 CB 1.484 42 residues pruned to eliminate duplicates Z: 12 16.087 2.071 0.715 0.593 0.909 0.818 CB 1.374 12 residues pruned to eliminate duplicates Z: 16 19.692 1.730 0.701 0.892 0.933 0.867 CB 1.330 16 residues pruned to eliminate duplicates Z: 34 35.767 2.101 0.871 0.582 0.970 0.788 CB 1.509 34 residues pruned to eliminate duplicates Z: 8 12.628 1.978 1.221 0.400 0.857 0.571 CB 1.409 9 residues pruned to eliminate duplicates Z: 7 4.085 1.666 0.564 0.390 0.667 0.500 CB 1.079 5 residues pruned to eliminate duplicates Z: 32 25.610 2.163 1.082 0.463 0.839 0.645 CB 1.265 31 residues pruned to eliminate duplicates Z: 28 31.705 2.175 0.705 0.577 0.926 0.741 CA 1.650 28 residues pruned to eliminate duplicates Z: 94 55.113 2.226 0.726 0.552 0.925 0.667 CB 1.529 94 residues pruned to eliminate duplicates Z: 10 13.883 2.019 0.848 0.607 0.778 0.778 CB 1.441 10 residues pruned to eliminate duplicates Z: 11 9.720 2.021 0.764 0.357 0.800 0.700 CB 1.257 11 residues pruned to eliminate duplicates Z: 15 10.990 1.841 0.937 0.356 0.857 0.500 CB 1.123 13 residues pruned to eliminate duplicates Z: 91 50.152 2.212 0.740 0.510 0.900 0.578 CB 1.511 91 residues pruned to eliminate duplicates Z: 13 15.666 1.835 0.839 0.619 1.000 0.917 CB 1.197 13 residues pruned to eliminate duplicates Z: 14 22.152 1.927 0.798 0.875 1.000 1.000 CB 1.289 14 residues pruned to eliminate duplicates Z: 25 22.858 2.117 0.855 0.471 0.917 0.667 CB 1.336 25 residues pruned to eliminate duplicates Z: 24 23.219 2.168 0.815 0.451 0.913 0.696 CB 1.418 24 residues pruned to eliminate duplicates Z: 6 2.889 1.433 -0.177 0.792 1.000 0.600 CA 0.848 6 residues pruned to eliminate duplicates Z: 11 18.281 2.110 0.883 0.505 0.900 0.800 C 1.608 11 residues pruned to eliminate duplicates Z: 22 15.473 2.112 0.426 0.334 0.857 0.571 CB 1.569 22 residues pruned to eliminate duplicates Z: 81 60.935 2.294 0.841 0.547 0.925 0.637 CB 1.665 81 residues pruned to eliminate duplicates Z: 80 50.889 2.216 0.787 0.549 0.937 0.671 CB 1.472 80 residues pruned to eliminate duplicates Z: 93 62.143 2.251 0.794 0.572 0.967 0.663 CB 1.548 93 residues pruned to eliminate duplicates Z: 64 47.488 2.298 0.740 0.502 0.937 0.667 CB 1.594 64 residues pruned to eliminate duplicates Z: 10 19.365 2.054 0.813 0.757 1.000 0.889 CB 1.378 14 residues pruned to eliminate duplicates Z: 61 48.259 2.217 0.867 0.551 0.900 0.550 CB 1.590 61 residues pruned to eliminate duplicates Z: 13 15.468 1.905 0.382 0.861 1.000 1.000 CB 1.246 13 residues pruned to eliminate duplicates Z: 22 21.651 2.006 0.611 0.566 0.952 0.667 CB 1.440 22 residues pruned to eliminate duplicates Z: 14 29.031 2.178 0.987 0.875 0.923 0.846 CA 1.466 14 residues pruned to eliminate duplicates Z: 110 65.917 2.258 0.938 0.507 0.927 0.578 CB 1.546 110 residues pruned to eliminate duplicates Z: 30 20.123 2.071 0.821 0.483 0.862 0.690 CB 1.169 30 residues pruned to eliminate duplicates Z: 13 14.588 2.066 0.710 0.540 0.833 0.667 CB 1.375 Z: 21 22.431 2.151 0.715 0.402 0.900 0.500 CB 1.675 21 residues pruned to eliminate duplicates Z: 25 24.464 2.136 1.040 0.454 0.917 0.625 CB 1.310 25 residues pruned to eliminate duplicates Z: 94 56.693 2.223 0.724 0.559 0.946 0.656 CB 1.530 94 residues pruned to eliminate duplicates Z: 15 30.642 2.243 0.710 0.936 1.000 0.929 CB 1.487 15 residues pruned to eliminate duplicates Z: 44 46.398 2.193 0.983 0.597 0.930 0.744 CB 1.594 44 residues pruned to eliminate duplicates Z: 39 42.725 2.292 0.794 0.598 0.947 0.526 CB 1.620 39 residues pruned to eliminate duplicates Z: 9 18.820 2.142 0.990 0.663 0.875 0.875 CB 1.534 9 residues pruned to eliminate duplicates Z: 11 23.493 2.071 0.888 0.723 1.000 0.800 CB 1.554 11 residues pruned to eliminate duplicates Z: 18 16.232 2.050 0.856 0.472 0.882 0.647 CB 1.206 18 residues pruned to eliminate duplicates Z: 53 38.179 2.144 0.757 0.537 0.942 0.654 CB 1.438 53 residues pruned to eliminate duplicates Z: 15 34.210 2.369 0.683 0.928 1.000 0.929 CB 1.606 15 residues pruned to eliminate duplicates Z: 13 17.034 1.855 0.740 0.771 1.000 0.667 CB 1.199 13 residues pruned to eliminate duplicates Z: 10 15.043 2.120 0.665 0.606 0.889 0.778 CA 1.445 10 residues pruned to eliminate duplicates Z: 93 57.719 2.247 0.784 0.553 0.946 0.652 CB 1.508 93 residues pruned to eliminate duplicates Z: 16 28.116 2.224 0.449 0.907 1.000 1.000 CB 1.602 16 residues pruned to eliminate duplicates Z: 94 54.726 2.231 0.678 0.546 0.946 0.634 CB 1.532 94 residues pruned to eliminate duplicates Z: 53 39.494 2.263 0.747 0.440 0.885 0.577 CB 1.667 53 residues pruned to eliminate duplicates Z: 29 17.267 1.930 0.710 0.395 0.857 0.536 CB 1.288 29 residues pruned to eliminate duplicates Z: 9 23.552 2.046 1.100 0.852 1.000 1.000 CB 1.433 9 residues pruned to eliminate duplicates Z: 16 14.812 1.931 0.507 0.588 0.933 0.800 CB 1.294 16 residues pruned to eliminate duplicates Z: 93 57.561 2.258 0.761 0.547 0.946 0.641 CB 1.525 93 residues pruned to eliminate duplicates Z: 17 30.243 2.085 0.831 0.915 0.938 0.812 CB 1.494 17 residues pruned to eliminate duplicates Z: 28 43.631 2.278 1.002 0.675 0.926 0.704 CB 1.693 28 residues pruned to eliminate duplicates Z: 15 21.595 1.804 1.171 0.837 0.929 0.500 CB 1.187 15 residues pruned to eliminate duplicates Z: 61 49.492 2.242 0.740 0.574 0.917 0.633 CB 1.664 61 residues pruned to eliminate duplicates Z: 31 19.855 2.037 0.715 0.388 0.900 0.633 CB 1.298 31 residues pruned to eliminate duplicates Z: 41 29.621 2.123 0.825 0.474 0.900 0.700 CB 1.379 45 residues pruned to eliminate duplicates Z: 49 35.661 2.123 0.850 0.529 0.896 0.667 CB 1.422 49 residues pruned to eliminate duplicates Z: 15 21.293 2.232 0.499 0.903 0.857 0.714 CB 1.415 15 residues pruned to eliminate duplicates Z: 14 29.027 2.176 0.685 0.936 1.000 0.385 CB 1.530 14 residues pruned to eliminate duplicates Z: 15 23.569 2.204 0.876 0.460 0.929 0.643 CA 1.709 15 residues pruned to eliminate duplicates Z: 16 16.470 1.774 0.592 0.862 1.000 0.733 CB 1.105 16 residues pruned to eliminate duplicates Z: 51 33.226 2.189 0.816 0.444 0.880 0.640 CB 1.423 51 residues pruned to eliminate duplicates Z: 10 17.121 2.139 0.753 0.637 0.889 0.778 CA 1.506 10 residues pruned to eliminate duplicates Z: 12 12.162 1.791 0.739 0.602 0.818 0.818 CB 1.306 12 residues pruned to eliminate duplicates Z: 10 14.003 1.929 0.838 0.716 0.889 0.889 CB 1.218 10 residues pruned to eliminate duplicates Z: 14 24.167 1.908 0.980 0.856 1.000 0.846 CB 1.308 14 residues pruned to eliminate duplicates Z: 17 31.715 2.135 0.662 0.919 1.000 0.875 CB 1.574 17 residues pruned to eliminate duplicates Z: 40 44.192 2.257 0.851 0.590 0.949 0.641 CB 1.639 40 residues pruned to eliminate duplicates Z: 6 6.909 1.634 0.584 0.685 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 16 29.125 2.252 0.375 0.903 1.000 0.933 CB 1.732 16 residues pruned to eliminate duplicates Z: 6 8.337 1.645 0.590 0.670 1.000 1.000 CA 1.217 6 residues pruned to eliminate duplicates Z: 20 25.695 2.143 0.990 0.473 0.842 0.579 CB 1.686 20 residues pruned to eliminate duplicates Z: 6 8.707 1.999 0.746 0.607 0.800 0.600 CA 1.259 6 residues pruned to eliminate duplicates Z: 21 25.145 2.020 0.882 0.527 0.900 0.650 CA 1.600 21 residues pruned to eliminate duplicates Z: 15 35.546 2.277 0.689 0.928 1.000 0.857 CA 1.730 15 residues pruned to eliminate duplicates Z: 8 14.656 1.995 0.770 0.668 1.000 0.857 CB 1.344 8 residues pruned to eliminate duplicates Z: 13 20.801 1.913 0.843 0.848 1.000 0.917 CB 1.264 13 residues pruned to eliminate duplicates Z: 46 46.274 2.246 0.818 0.549 0.978 0.689 CB 1.648 46 residues pruned to eliminate duplicates Z: 16 14.359 1.923 0.486 0.588 0.933 0.733 CB 1.278 16 residues pruned to eliminate duplicates Z: 10 15.613 2.065 0.793 0.501 1.000 0.444 CB 1.404 6 residues pruned to eliminate duplicates Z: 8 5.552 1.857 0.313 0.402 1.000 0.571 CB 0.954 8 residues pruned to eliminate duplicates Z: 55 35.260 2.098 0.889 0.491 0.852 0.611 CB 1.435 55 residues pruned to eliminate duplicates Z: 51 38.024 2.157 0.857 0.544 0.940 0.620 CB 1.368 51 residues pruned to eliminate duplicates Z: 10 3.329 1.322 0.286 0.347 0.778 0.667 CB 0.991 Z: 14 10.105 1.804 0.749 0.496 0.846 0.615 CB 1.054 14 residues pruned to eliminate duplicates Z: 7 3.193 1.694 0.083 0.167 1.000 0.667 CB 1.066 10 residues pruned to eliminate duplicates Z: 31 28.022 2.052 0.695 0.660 0.933 0.800 CB 1.359 31 residues pruned to eliminate duplicates Z: 9 3.107 1.508 0.713 0.252 0.625 0.500 CB 0.905 9 residues pruned to eliminate duplicates Z: 13 4.988 1.674 0.168 0.374 0.833 0.417 CB 1.011 Z: 50 44.739 2.273 0.768 0.519 0.939 0.612 CB 1.663 50 residues pruned to eliminate duplicates Z: 94 67.689 2.293 0.905 0.542 0.925 0.656 CB 1.668 94 residues pruned to eliminate duplicates Z: 16 13.162 2.109 0.695 0.350 0.867 0.467 CB 1.290 16 residues pruned to eliminate duplicates Z: 10 21.902 2.198 0.995 0.665 0.889 0.778 CB 1.607 13 residues pruned to eliminate duplicates Z: 12 14.149 1.853 0.650 0.591 0.909 0.818 CA 1.407 12 residues pruned to eliminate duplicates Z: 30 28.657 2.294 0.676 0.563 0.828 0.586 CB 1.572 30 residues pruned to eliminate duplicates Z: 11 19.427 2.164 0.848 0.642 1.000 0.800 CB 1.345 10 residues pruned to eliminate duplicates Z: 14 25.351 1.893 0.961 0.878 1.000 0.769 CB 1.375 14 residues pruned to eliminate duplicates Z: 24 26.601 2.065 0.994 0.509 0.957 0.522 CA 1.396 24 residues pruned to eliminate duplicates Z: 15 21.616 1.800 1.047 0.783 0.929 0.786 CB 1.316 15 residues pruned to eliminate duplicates Z: 11 25.401 2.387 0.656 0.927 1.000 1.000 CA 1.423 11 residues pruned to eliminate duplicates Z: 43 33.656 2.213 0.611 0.463 0.952 0.524 CB 1.590 43 residues pruned to eliminate duplicates Z: 14 15.770 1.864 0.481 0.844 1.000 0.923 CA 1.178 14 residues pruned to eliminate duplicates Z: 15 19.519 1.843 0.756 0.851 1.000 0.571 CB 1.193 15 residues pruned to eliminate duplicates Z: 21 22.287 1.986 0.814 0.506 1.000 0.750 CB 1.375 21 residues pruned to eliminate duplicates Z: 52 35.062 2.167 0.756 0.459 0.902 0.725 CB 1.491 52 residues pruned to eliminate duplicates Z: 9 5.587 1.659 0.621 0.580 1.000 0.375 CB 0.680 Z: 52 27.957 2.042 0.735 0.469 0.882 0.627 CB 1.292 52 residues pruned to eliminate duplicates Z: 8 3.924 1.464 0.052 0.509 0.857 0.571 N 1.113 Z: 7 10.473 2.048 0.982 0.540 0.833 0.500 CB 1.216 20 residues pruned to eliminate duplicates Z: 17 21.800 1.722 0.991 0.818 0.938 0.562 CB 1.287 17 residues pruned to eliminate duplicates Z: 13 13.010 1.954 0.738 0.523 0.833 0.667 CB 1.297 13 residues pruned to eliminate duplicates Z: 15 14.491 2.271 0.854 0.380 0.714 0.714 CB 1.462 15 residues pruned to eliminate duplicates Z: 7 4.717 1.561 0.050 0.526 1.000 1.000 CB 1.145 Z: 7 7.813 1.832 0.569 0.831 0.667 0.167 CB 1.250 7 residues pruned to eliminate duplicates Z: 9 7.043 1.894 0.295 0.474 0.750 0.625 CA 1.390 9 residues pruned to eliminate duplicates Z: 17 6.714 1.653 0.235 0.606 0.938 0.812 CB 0.794 9 residues pruned to eliminate duplicates Z: 16 34.218 2.234 0.727 0.919 1.000 0.867 CB 1.614 16 residues pruned to eliminate duplicates Z: 10 8.996 1.920 0.631 0.365 0.889 0.556 CB 1.245 10 residues pruned to eliminate duplicates Z: 22 16.521 1.929 0.654 0.381 0.857 0.476 CB 1.497 22 residues pruned to eliminate duplicates Z: 14 22.631 1.905 0.827 0.855 1.000 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 16 16.762 2.192 0.548 0.466 1.000 0.600 CB 1.320 16 residues pruned to eliminate duplicates Z: 24 22.672 2.048 1.003 0.502 0.870 0.739 CB 1.323 24 residues pruned to eliminate duplicates Z: 14 16.440 2.022 0.553 0.551 1.000 0.615 CB 1.381 14 residues pruned to eliminate duplicates Z: 6 3.295 1.380 0.387 0.635 0.600 0.600 CA 1.130 4 residues pruned to eliminate duplicates Z: 48 40.253 2.271 0.705 0.491 0.957 0.638 CB 1.598 48 residues pruned to eliminate duplicates Z: 60 45.527 2.194 0.802 0.575 0.932 0.695 CB 1.497 60 residues pruned to eliminate duplicates Z: 61 43.138 2.294 0.655 0.510 0.917 0.700 CB 1.584 61 residues pruned to eliminate duplicates Z: 26 20.875 2.144 0.813 0.386 0.840 0.600 CB 1.444 26 residues pruned to eliminate duplicates 10 1.960 1.478 0.709 0.377 0.889 0.444 CB 0.332 ? Z: 14 21.964 1.877 0.911 0.858 1.000 0.538 CB 1.251 14 residues pruned to eliminate duplicates Z: 95 64.296 2.258 0.904 0.514 0.926 0.617 CB 1.643 95 residues pruned to eliminate duplicates Z: 80 54.076 2.186 0.837 0.537 0.937 0.633 CB 1.560 80 residues pruned to eliminate duplicates Z: 24 31.035 2.146 0.938 0.637 0.913 0.739 CB 1.499 24 residues pruned to eliminate duplicates Z: 13 10.893 1.855 0.644 0.496 1.000 0.667 CB 1.036 13 residues pruned to eliminate duplicates Z: 50 35.689 2.073 0.908 0.508 0.898 0.714 CB 1.424 50 residues pruned to eliminate duplicates Z: 16 30.809 2.185 0.893 0.921 1.000 0.867 CB 1.353 16 residues pruned to eliminate duplicates Z: 11 5.935 1.889 0.367 0.371 0.900 0.500 CB 0.927 8 residues pruned to eliminate duplicates Z: 6 7.535 1.808 1.211 0.598 0.800 0.800 CB 0.960 6 residues pruned to eliminate duplicates Z: 78 56.354 2.178 0.915 0.554 0.948 0.623 CB 1.541 78 residues pruned to eliminate duplicates Z: 35 36.961 2.036 0.895 0.617 1.000 0.676 CB 1.471 35 residues pruned to eliminate duplicates Z: 16 35.334 2.260 0.729 0.937 1.000 0.667 CB 1.624 16 residues pruned to eliminate duplicates Z: 13 28.038 2.118 1.047 0.882 1.000 0.917 CA 1.351 13 residues pruned to eliminate duplicates Z: 16 17.879 2.091 0.435 0.841 0.800 0.600 CB 1.434 16 residues pruned to eliminate duplicates Z: 15 34.575 2.124 0.999 0.861 1.000 0.786 CB 1.599 15 residues pruned to eliminate duplicates Z: 14 15.802 2.042 0.692 0.558 0.846 0.769 CB 1.417 14 residues pruned to eliminate duplicates Z: 15 18.922 1.850 0.575 0.869 1.000 0.714 CB 1.268 15 residues pruned to eliminate duplicates Z: 86 55.360 2.162 0.837 0.539 0.918 0.694 CB 1.585 86 residues pruned to eliminate duplicates Z: 46 39.974 2.154 0.821 0.569 0.911 0.600 CB 1.561 46 residues pruned to eliminate duplicates Z: 6 2.371 1.270 0.438 0.251 0.800 0.600 C 0.966 6 residues pruned to eliminate duplicates Z: 38 40.506 2.313 0.800 0.481 0.973 0.703 CB 1.676 38 residues pruned to eliminate duplicates Z: 14 23.343 2.150 0.841 0.670 1.000 0.769 CB 1.398 14 residues pruned to eliminate duplicates Z: 36 34.802 2.124 1.051 0.538 0.943 0.686 CB 1.379 36 residues pruned to eliminate duplicates Z: 105 66.294 2.232 0.879 0.536 0.923 0.635 CB 1.621 105 residues pruned to eliminate duplicates Z: 56 41.436 2.261 0.804 0.540 0.891 0.618 CB 1.479 56 residues pruned to eliminate duplicates Z: 69 50.098 2.213 0.778 0.606 0.926 0.706 CB 1.507 69 residues pruned to eliminate duplicates Z: 35 26.913 1.966 0.668 0.556 0.941 0.765 CB 1.415 35 residues pruned to eliminate duplicates Z: 83 52.802 2.218 0.747 0.555 0.939 0.659 CB 1.519 83 residues pruned to eliminate duplicates Z: 14 28.256 1.998 0.856 0.910 1.000 0.923 CB 1.499 14 residues pruned to eliminate duplicates Z: 11 25.032 2.174 1.153 0.792 0.900 0.800 CA 1.455 11 residues pruned to eliminate duplicates Z: 111 62.413 2.174 0.910 0.540 0.909 0.664 CB 1.515 111 residues pruned to eliminate duplicates Z: 35 37.616 2.043 0.898 0.611 0.971 0.559 CB 1.543 35 residues pruned to eliminate duplicates Z: 51 33.748 2.027 0.898 0.537 0.940 0.660 CB 1.272 51 residues pruned to eliminate duplicates Z: 55 39.023 2.178 0.772 0.479 0.926 0.481 CB 1.519 55 residues pruned to eliminate duplicates 6 1.922 1.552 -0.252 0.448 0.800 0.400 C 0.976 ? Z: 12 38.222 2.363 1.196 0.868 0.909 0.818 CA 1.786 12 residues pruned to eliminate duplicates Z: 10 7.572 1.918 0.588 0.341 0.778 0.444 CB 1.267 10 residues pruned to eliminate duplicates Z: 51 41.990 2.277 0.624 0.547 0.980 0.560 CB 1.565 51 residues pruned to eliminate duplicates Z: 9 19.570 2.192 0.733 0.609 1.000 0.875 CA 1.643 9 residues pruned to eliminate duplicates Z: 16 19.288 2.022 0.651 0.533 0.933 0.800 CA 1.547 16 residues pruned to eliminate duplicates Z: 9 14.876 2.109 0.610 0.575 1.000 0.750 CB 1.440 9 residues pruned to eliminate duplicates Z: 56 50.630 2.274 0.840 0.533 0.945 0.618 CB 1.671 56 residues pruned to eliminate duplicates Z: 35 39.822 2.245 0.714 0.589 1.000 0.735 CA 1.630 35 residues pruned to eliminate duplicates Z: 63 52.908 2.241 0.843 0.533 0.919 0.629 CA 1.713 63 residues pruned to eliminate duplicates Z: 55 38.977 2.180 0.768 0.545 0.889 0.630 CB 1.482 55 residues pruned to eliminate duplicates Z: 34 32.491 2.063 0.744 0.624 0.970 0.818 CB 1.442 34 residues pruned to eliminate duplicates 6 1.055 1.336 0.067 0.262 0.800 0.600 CA 0.543 ? Z: 8 7.210 1.721 0.880 0.765 1.000 0.857 CB 0.666 Z: 9 13.559 1.929 0.696 0.504 1.000 0.625 CA 1.460 9 residues pruned to eliminate duplicates Z: 6 4.539 1.158 0.495 0.830 1.000 0.800 CA 0.882 6 residues pruned to eliminate duplicates Z: 20 28.515 2.078 0.872 0.525 1.000 0.789 CB 1.641 20 residues pruned to eliminate duplicates Z: 50 40.485 2.320 0.579 0.554 0.980 0.633 CB 1.529 50 residues pruned to eliminate duplicates Z: 36 34.223 2.059 1.005 0.574 0.886 0.686 CB 1.473 36 residues pruned to eliminate duplicates Z: 10 13.785 1.961 0.615 0.569 0.889 0.667 CB 1.526 10 residues pruned to eliminate duplicates Z: 33 30.186 2.001 0.845 0.644 0.938 0.719 CB 1.348 33 residues pruned to eliminate duplicates Z: 6 4.283 1.588 0.202 0.490 0.800 0.600 CB 1.267 Z: 14 7.361 1.710 0.217 0.567 0.846 0.692 N 1.087 7 residues pruned to eliminate duplicates Z: 64 53.896 2.270 0.888 0.544 0.952 0.651 CB 1.594 64 residues pruned to eliminate duplicates Z: 11 21.632 2.084 0.549 0.858 1.000 1.000 CB 1.561 11 residues pruned to eliminate duplicates Z: 65 47.766 2.222 0.727 0.504 0.969 0.703 CA 1.599 65 residues pruned to eliminate duplicates Z: 13 22.992 2.263 0.643 0.804 1.000 0.500 CB 1.369 13 residues pruned to eliminate duplicates Z: 16 34.932 2.274 0.761 0.924 1.000 0.933 CB 1.582 16 residues pruned to eliminate duplicates Z: 19 15.791 2.044 0.671 0.403 0.944 0.611 CB 1.277 19 residues pruned to eliminate duplicates Z: 9 19.284 2.149 0.392 0.881 1.000 0.875 CA 1.650 9 residues pruned to eliminate duplicates Z: 43 39.187 2.194 0.717 0.607 0.905 0.690 CA 1.603 43 residues pruned to eliminate duplicates Z: 16 25.900 2.239 0.404 0.872 1.000 0.933 CB 1.551 16 residues pruned to eliminate duplicates Z: 56 46.702 2.264 0.814 0.529 0.891 0.636 CB 1.673 56 residues pruned to eliminate duplicates Z: 18 28.455 2.270 0.603 0.708 0.941 0.824 CB 1.669 18 residues pruned to eliminate duplicates Z: 62 42.865 2.199 0.654 0.555 0.869 0.639 CB 1.646 62 residues pruned to eliminate duplicates Z: 81 60.679 2.272 0.805 0.535 0.950 0.713 CB 1.682 81 residues pruned to eliminate duplicates Z: 28 33.239 2.217 0.756 0.500 1.000 0.630 CA 1.642 28 residues pruned to eliminate duplicates Z: 10 2.932 1.292 0.384 0.317 1.000 0.333 CB 0.669 Z: 56 36.721 2.235 0.626 0.448 0.909 0.582 CB 1.580 56 residues pruned to eliminate duplicates Z: 16 13.503 1.789 0.775 0.482 0.867 0.733 CB 1.289 16 residues pruned to eliminate duplicates Z: 11 20.123 2.094 0.683 0.691 1.000 0.900 CB 1.516 11 residues pruned to eliminate duplicates Z: 50 41.424 2.196 0.768 0.493 0.959 0.571 CB 1.600 50 residues pruned to eliminate duplicates Z: 13 8.743 1.921 0.508 0.327 0.833 0.583 CB 1.265 13 residues pruned to eliminate duplicates 6 1.967 1.619 -0.270 0.287 1.000 0.400 CB 0.946 ? Z: 23 36.656 2.250 0.865 0.674 0.955 0.727 CA 1.662 23 residues pruned to eliminate duplicates Z: 18 13.225 1.942 0.627 0.378 0.882 0.471 CB 1.310 18 residues pruned to eliminate duplicates Z: 13 19.993 1.920 0.706 0.837 1.000 0.917 CB 1.317 13 residues pruned to eliminate duplicates Z: 93 70.067 2.294 0.918 0.522 0.957 0.598 CB 1.699 93 residues pruned to eliminate duplicates Z: 27 22.669 2.072 1.010 0.434 0.923 0.654 CB 1.239 27 residues pruned to eliminate duplicates Z: 6 7.599 1.321 0.943 0.807 1.000 1.000 CB 1.013 Z: 10 16.684 2.015 0.615 0.765 1.000 0.889 CB 1.351 10 residues pruned to eliminate duplicates Z: 14 19.461 2.100 0.602 0.707 1.000 0.846 CB 1.329 14 residues pruned to eliminate duplicates Z: 23 28.401 2.156 0.865 0.475 1.000 0.682 CB 1.545 23 residues pruned to eliminate duplicates Z: 21 30.817 2.258 0.880 0.457 1.000 0.650 CA 1.697 21 residues pruned to eliminate duplicates Z: 86 44.859 2.057 0.820 0.491 0.894 0.635 CB 1.467 86 residues pruned to eliminate duplicates Z: 6 4.815 1.676 -0.053 0.781 1.000 0.800 CB 1.059 7 residues pruned to eliminate duplicates Z: 44 38.896 2.114 0.870 0.568 0.930 0.721 CB 1.510 44 residues pruned to eliminate duplicates Z: 25 26.961 2.133 1.060 0.405 0.917 0.625 CB 1.510 25 residues pruned to eliminate duplicates Z: 10 7.845 1.933 0.596 0.542 0.778 0.556 CA 1.046 10 residues pruned to eliminate duplicates Z: 61 47.955 2.284 0.791 0.469 0.950 0.617 CB 1.643 61 residues pruned to eliminate duplicates Z: 6 5.387 1.541 0.937 0.458 1.000 0.800 C 0.843 Z: 22 36.583 2.174 0.922 0.631 1.000 0.714 CB 1.690 22 residues pruned to eliminate duplicates Z: 37 12.957 1.887 0.592 0.292 0.722 0.472 CB 1.257 51 residues pruned to eliminate duplicates Z: 11 15.837 2.026 0.457 0.621 1.000 0.800 CA 1.514 11 residues pruned to eliminate duplicates Z: 17 17.277 1.908 0.995 0.559 0.875 0.562 CB 1.224 17 residues pruned to eliminate duplicates Z: 13 21.779 1.896 0.914 0.845 1.000 0.917 CB 1.288 13 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 55 46.642 2.159 0.798 0.543 0.944 0.741 CB 1.660 55 residues pruned to eliminate duplicates Z: 94 63.623 2.213 0.815 0.572 0.946 0.710 CB 1.619 94 residues pruned to eliminate duplicates Z: 11 20.769 2.138 0.787 0.679 0.900 0.800 CA 1.620 11 residues pruned to eliminate duplicates Z: 54 43.106 2.160 0.768 0.519 0.943 0.660 CB 1.613 54 residues pruned to eliminate duplicates Z: 94 60.685 2.231 0.825 0.563 0.903 0.710 CB 1.609 94 residues pruned to eliminate duplicates Z: 110 66.878 2.240 0.806 0.558 0.936 0.697 CB 1.600 110 residues pruned to eliminate duplicates Z: 34 34.055 2.101 0.722 0.590 0.970 0.727 CB 1.550 34 residues pruned to eliminate duplicates Z: 54 46.204 2.154 0.887 0.562 0.925 0.736 CB 1.591 54 residues pruned to eliminate duplicates Z: 35 32.381 2.080 0.710 0.590 0.941 0.765 CB 1.521 35 residues pruned to eliminate duplicates Z: 94 60.640 2.224 0.760 0.562 0.946 0.731 CB 1.597 94 residues pruned to eliminate duplicates Z: 52 41.135 2.173 0.781 0.499 0.902 0.706 CB 1.651 52 residues pruned to eliminate duplicates Z: 34 34.959 2.125 0.753 0.550 1.000 0.758 CB 1.556 34 residues pruned to eliminate duplicates Z: 33 35.493 2.119 0.759 0.604 0.969 0.688 CB 1.574 33 residues pruned to eliminate duplicates Z: 94 61.555 2.234 0.787 0.559 0.925 0.710 CB 1.633 94 residues pruned to eliminate duplicates Z: 34 38.214 2.117 0.846 0.583 1.000 0.667 CB 1.572 34 residues pruned to eliminate duplicates Z: 34 36.128 2.119 0.734 0.577 1.000 0.758 CB 1.590 34 residues pruned to eliminate duplicates Z: 35 37.040 2.123 0.909 0.555 0.971 0.676 CB 1.531 36 residues pruned to eliminate duplicates Z: 15 20.918 1.877 0.876 0.701 0.929 0.643 CB 1.423 15 residues pruned to eliminate duplicates Z: 94 60.367 2.233 0.792 0.548 0.914 0.710 CB 1.633 94 residues pruned to eliminate duplicates Z: 55 42.175 2.162 0.834 0.503 0.907 0.722 CB 1.590 55 residues pruned to eliminate duplicates Z: 16 21.734 1.779 0.917 0.839 1.000 0.867 CB 1.229 16 residues pruned to eliminate duplicates Z: 34 32.938 2.077 0.891 0.563 0.970 0.758 CB 1.416 34 residues pruned to eliminate duplicates Z: 94 64.388 2.231 0.794 0.562 0.946 0.667 CB 1.659 94 residues pruned to eliminate duplicates Z: 81 54.241 2.200 0.780 0.503 0.950 0.688 CB 1.626 81 residues pruned to eliminate duplicates Z: 34 36.936 2.088 0.860 0.598 0.970 0.576 CB 1.554 34 residues pruned to eliminate duplicates Z: 47 44.234 2.148 0.901 0.540 0.957 0.674 CB 1.606 47 residues pruned to eliminate duplicates Z: 94 62.308 2.232 0.812 0.561 0.925 0.688 CB 1.628 94 residues pruned to eliminate duplicates Z: 95 62.444 2.220 0.796 0.543 0.947 0.649 CB 1.636 95 residues pruned to eliminate duplicates Z: 35 36.330 2.111 0.968 0.560 0.941 0.471 CB 1.504 35 residues pruned to eliminate duplicates Z: 16 20.975 1.875 0.920 0.748 0.933 0.400 CB 1.292 16 residues pruned to eliminate duplicates Z: 33 40.071 2.116 0.980 0.599 0.969 0.750 CB 1.588 33 residues pruned to eliminate duplicates Z: 6 7.222 1.718 0.469 0.449 1.000 0.800 CA 1.348 6 residues pruned to eliminate duplicates Z: 94 63.080 2.210 0.818 0.568 0.925 0.559 CB 1.648 94 residues pruned to eliminate duplicates Z: 65 44.588 2.229 0.710 0.532 0.891 0.672 CB 1.591 65 residues pruned to eliminate duplicates Z: 61 49.674 2.298 0.750 0.556 0.917 0.650 CB 1.647 61 residues pruned to eliminate duplicates Z: 62 47.792 2.243 0.778 0.534 0.934 0.705 CB 1.587 62 residues pruned to eliminate duplicates Z: 60 49.139 2.309 0.773 0.531 0.881 0.644 CB 1.719 60 residues pruned to eliminate duplicates Z: 20 27.865 2.258 0.825 0.408 0.947 0.632 CB 1.804 20 residues pruned to eliminate duplicates Z: 60 49.780 2.293 0.709 0.564 0.932 0.661 CB 1.667 60 residues pruned to eliminate duplicates Z: 60 45.203 2.287 0.701 0.543 0.864 0.678 CB 1.677 60 residues pruned to eliminate duplicates Z: 61 51.574 2.247 0.795 0.553 0.917 0.633 CB 1.711 61 residues pruned to eliminate duplicates Z: 57 50.861 2.277 0.742 0.551 0.946 0.661 CB 1.723 57 residues pruned to eliminate duplicates Z: 58 54.535 2.320 0.797 0.576 0.930 0.667 CB 1.732 58 residues pruned to eliminate duplicates Z: 95 58.674 2.201 0.781 0.542 0.926 0.628 CB 1.601 95 residues pruned to eliminate duplicates Z: 49 42.664 2.240 0.789 0.544 0.917 0.583 CB 1.606 49 residues pruned to eliminate duplicates Z: 61 51.369 2.285 0.754 0.539 0.967 0.650 CB 1.648 61 residues pruned to eliminate duplicates Z: 20 24.955 2.201 0.687 0.432 0.947 0.632 CB 1.746 20 residues pruned to eliminate duplicates Z: 45 36.632 2.236 0.505 0.568 0.955 0.636 CB 1.610 45 residues pruned to eliminate duplicates Z: 51 35.884 2.171 0.639 0.514 0.900 0.640 CB 1.563 51 residues pruned to eliminate duplicates Z: 94 63.343 2.228 0.886 0.539 0.935 0.645 CB 1.608 94 residues pruned to eliminate duplicates Z: 41 41.135 2.315 0.693 0.611 0.900 0.725 CB 1.660 41 residues pruned to eliminate duplicates Z: 42 43.215 2.292 0.739 0.608 0.927 0.610 CB 1.650 42 residues pruned to eliminate duplicates Z: 41 41.856 2.247 0.756 0.620 0.925 0.725 CB 1.620 41 residues pruned to eliminate duplicates Z: 60 58.997 2.303 0.903 0.568 0.966 0.678 CB 1.698 60 residues pruned to eliminate duplicates Z: 61 51.980 2.288 0.762 0.550 0.933 0.633 CB 1.698 61 residues pruned to eliminate duplicates Z: 61 53.781 2.257 0.851 0.564 0.967 0.667 CB 1.615 61 residues pruned to eliminate duplicates Z: 78 51.605 2.255 0.781 0.520 0.909 0.597 CB 1.579 78 residues pruned to eliminate duplicates Z: 61 55.843 2.282 0.884 0.561 0.950 0.650 CB 1.665 61 residues pruned to eliminate duplicates Z: 50 46.548 2.283 0.890 0.580 0.878 0.633 CB 1.625 50 residues pruned to eliminate duplicates Z: 49 41.881 2.236 0.832 0.545 0.917 0.625 CB 1.541 49 residues pruned to eliminate duplicates Z: 80 52.800 2.194 0.844 0.520 0.924 0.646 CB 1.558 80 residues pruned to eliminate duplicates Z: 43 39.721 2.226 0.783 0.591 0.929 0.667 CB 1.525 43 residues pruned to eliminate duplicates Z: 94 63.216 2.240 0.872 0.558 0.914 0.677 CB 1.616 94 residues pruned to eliminate duplicates Z: 60 52.384 2.281 0.864 0.577 0.915 0.627 CB 1.627 60 residues pruned to eliminate duplicates Z: 31 24.511 2.104 0.655 0.516 0.900 0.633 CB 1.405 31 residues pruned to eliminate duplicates Z: 65 53.727 2.254 0.915 0.522 0.938 0.547 CB 1.624 65 residues pruned to eliminate duplicates Z: 57 48.342 2.267 0.846 0.543 0.911 0.607 CB 1.624 57 residues pruned to eliminate duplicates Z: 47 37.780 2.168 0.790 0.525 0.935 0.522 CB 1.499 47 residues pruned to eliminate duplicates Z: 49 41.561 2.221 0.793 0.498 0.938 0.542 CB 1.610 49 residues pruned to eliminate duplicates Z: 94 64.944 2.228 0.882 0.560 0.935 0.570 CB 1.619 94 residues pruned to eliminate duplicates Z: 62 51.621 2.278 0.837 0.556 0.918 0.607 CB 1.629 62 residues pruned to eliminate duplicates Z: 61 50.162 2.281 0.797 0.545 0.917 0.650 CB 1.648 61 residues pruned to eliminate duplicates Z: 48 36.458 2.171 0.739 0.502 0.894 0.617 CB 1.573 48 residues pruned to eliminate duplicates Z: 60 57.756 2.305 0.907 0.589 0.932 0.712 CB 1.684 60 residues pruned to eliminate duplicates Z: 61 52.603 2.269 0.840 0.555 0.917 0.550 CB 1.683 61 residues pruned to eliminate duplicates Z: 45 44.422 2.252 0.828 0.638 0.909 0.659 CB 1.573 45 residues pruned to eliminate duplicates Z: 58 46.442 2.264 0.826 0.572 0.912 0.684 CB 1.521 58 residues pruned to eliminate duplicates Z: 60 48.056 2.305 0.777 0.544 0.881 0.644 CB 1.661 60 residues pruned to eliminate duplicates Z: 36 48.181 2.376 0.952 0.637 0.914 0.571 CB 1.689 36 residues pruned to eliminate duplicates Z: 62 46.902 2.189 0.780 0.519 0.967 0.656 CB 1.564 62 residues pruned to eliminate duplicates Z: 49 35.707 2.208 0.788 0.496 0.854 0.500 CB 1.535 36 residues pruned to eliminate duplicates Z: 14 31.028 2.172 0.686 0.867 1.000 0.846 CB 1.720 14 residues pruned to eliminate duplicates Z: 59 53.400 2.290 0.860 0.560 0.948 0.655 CB 1.637 59 residues pruned to eliminate duplicates Z: 43 43.035 2.248 0.849 0.598 0.929 0.714 CB 1.567 43 residues pruned to eliminate duplicates Z: 80 55.895 2.271 0.838 0.537 0.924 0.684 CB 1.573 80 residues pruned to eliminate duplicates Z: 62 51.958 2.297 0.872 0.542 0.902 0.689 CB 1.647 62 residues pruned to eliminate duplicates Z: 42 44.961 2.311 0.821 0.613 0.927 0.634 CB 1.618 42 residues pruned to eliminate duplicates Z: 77 58.278 2.276 0.845 0.545 0.947 0.697 CB 1.607 77 residues pruned to eliminate duplicates Z: 90 55.680 2.237 0.908 0.506 0.899 0.652 CB 1.529 90 residues pruned to eliminate duplicates Z: 84 56.616 2.250 0.837 0.511 0.940 0.602 CB 1.583 84 residues pruned to eliminate duplicates Z: 17 22.040 2.214 0.829 0.523 0.938 0.688 CB 1.419 Z: 6 5.999 1.709 0.644 0.425 1.000 0.600 CA 1.032 6 residues pruned to eliminate duplicates Z: 18 19.677 2.136 0.878 0.496 0.882 0.706 CB 1.354 18 residues pruned to eliminate duplicates Z: 7 6.314 1.247 0.955 0.533 1.000 0.833 N 1.023 7 residues pruned to eliminate duplicates Z: 18 17.358 2.132 0.793 0.499 0.882 0.647 CB 1.250 18 residues pruned to eliminate duplicates Z: 30 18.957 2.060 0.716 0.460 0.828 0.621 CB 1.254 18 residues pruned to eliminate duplicates Z: 6 4.084 1.508 0.650 0.378 0.800 0.600 CB 1.044 6 residues pruned to eliminate duplicates Z: 8 5.363 1.902 0.294 0.333 0.857 0.429 CB 1.153 8 residues pruned to eliminate duplicates Z: 21 16.767 2.072 0.761 0.421 0.900 0.500 CB 1.241 21 residues pruned to eliminate duplicates Z: 14 9.633 2.037 0.423 0.363 0.846 0.615 CB 1.261 14 residues pruned to eliminate duplicates Z: 88 53.929 2.229 0.842 0.509 0.920 0.632 CB 1.517 88 residues pruned to eliminate duplicates Z: 92 58.225 2.249 0.838 0.489 0.956 0.637 CB 1.562 92 residues pruned to eliminate duplicates Z: 16 11.277 1.976 0.537 0.343 0.867 0.600 CB 1.312 16 residues pruned to eliminate duplicates Z: 20 11.444 2.047 0.456 0.350 0.895 0.579 CB 1.158 20 residues pruned to eliminate duplicates Z: 6 4.142 1.361 0.652 0.376 1.000 0.600 C 0.941 6 residues pruned to eliminate duplicates Z: 39 39.299 2.228 0.924 0.568 0.895 0.684 CB 1.556 68 residues pruned to eliminate duplicates Z: 44 23.632 2.031 0.706 0.367 0.814 0.581 CB 1.474 44 residues pruned to eliminate duplicates Z: 70 46.659 2.152 0.797 0.487 0.942 0.638 CB 1.562 70 residues pruned to eliminate duplicates Z: 124 56.437 2.179 0.787 0.506 0.911 0.650 CB 1.427 124 residues pruned to eliminate duplicates Z: 31 23.141 2.085 0.797 0.419 0.933 0.633 CB 1.315 Z: 6 3.112 1.699 0.649 0.237 0.600 0.200 CB 1.124 6 residues pruned to eliminate duplicates Z: 34 14.769 1.825 0.550 0.366 0.818 0.636 CB 1.283 39 residues pruned to eliminate duplicates Z: 6 5.531 1.573 0.737 0.314 1.000 0.400 N 1.113 6 residues pruned to eliminate duplicates Z: 15 18.071 1.941 0.981 0.528 0.929 0.714 CB 1.316 15 residues pruned to eliminate duplicates Z: 12 11.687 1.881 0.641 0.615 0.818 0.636 CB 1.251 11 residues pruned to eliminate duplicates Z: 6 3.846 1.624 0.797 0.330 0.800 0.600 CA 0.887 6 residues pruned to eliminate duplicates Z: 93 60.152 2.263 0.794 0.559 0.946 0.696 CB 1.543 93 residues pruned to eliminate duplicates Z: 67 50.958 2.244 0.760 0.591 0.939 0.712 CB 1.550 67 residues pruned to eliminate duplicates Z: 34 26.360 2.068 0.677 0.594 0.939 0.697 CB 1.287 34 residues pruned to eliminate duplicates Z: 33 33.727 2.119 0.842 0.604 0.969 0.656 CB 1.428 33 residues pruned to eliminate duplicates Z: 6 6.120 1.729 0.422 0.368 1.000 0.800 C 1.283 6 residues pruned to eliminate duplicates Z: 49 42.199 2.173 0.919 0.545 0.938 0.646 CB 1.491 49 residues pruned to eliminate duplicates Z: 50 40.486 2.117 0.965 0.526 0.918 0.694 CB 1.475 50 residues pruned to eliminate duplicates Z: 94 57.829 2.234 0.746 0.553 0.946 0.634 CB 1.543 94 residues pruned to eliminate duplicates Z: 93 60.473 2.265 0.772 0.545 0.957 0.674 CB 1.571 93 residues pruned to eliminate duplicates Z: 34 30.844 2.087 0.796 0.567 0.970 0.758 CB 1.384 34 residues pruned to eliminate duplicates Z: 94 56.542 2.229 0.767 0.530 0.946 0.677 CB 1.528 94 residues pruned to eliminate duplicates Z: 48 37.991 2.132 0.897 0.525 0.915 0.723 CB 1.461 48 residues pruned to eliminate duplicates Z: 93 58.283 2.249 0.807 0.539 0.935 0.652 CB 1.538 93 residues pruned to eliminate duplicates Z: 50 40.694 2.152 0.988 0.538 0.918 0.714 CB 1.426 50 residues pruned to eliminate duplicates Z: 93 54.572 2.228 0.785 0.527 0.902 0.663 CB 1.543 93 residues pruned to eliminate duplicates Z: 29 35.634 2.143 0.933 0.646 1.000 0.821 CB 1.419 29 residues pruned to eliminate duplicates Z: 93 57.550 2.251 0.819 0.536 0.924 0.696 CB 1.530 93 residues pruned to eliminate duplicates Z: 51 41.143 2.163 0.907 0.558 0.920 0.800 CB 1.449 51 residues pruned to eliminate duplicates Z: 93 63.198 2.269 0.850 0.545 0.967 0.685 CB 1.552 93 residues pruned to eliminate duplicates Z: 92 60.332 2.278 0.783 0.559 0.945 0.692 CB 1.556 92 residues pruned to eliminate duplicates Z: 93 60.270 2.264 0.787 0.560 0.946 0.717 CB 1.549 93 residues pruned to eliminate duplicates Z: 46 38.983 2.152 0.906 0.526 0.911 0.689 CB 1.514 46 residues pruned to eliminate duplicates Z: 69 44.709 2.244 0.775 0.474 0.897 0.544 CB 1.557 69 residues pruned to eliminate duplicates Z: 92 58.465 2.261 0.805 0.540 0.934 0.648 CB 1.547 92 residues pruned to eliminate duplicates Z: 94 60.997 2.242 0.863 0.550 0.935 0.634 CB 1.541 94 residues pruned to eliminate duplicates Z: 21 21.581 2.199 0.987 0.401 0.900 0.600 CB 1.361 21 residues pruned to eliminate duplicates Z: 82 50.981 2.203 0.779 0.513 0.951 0.630 CB 1.501 82 residues pruned to eliminate duplicates Z: 23 20.239 2.075 0.971 0.341 0.864 0.545 CB 1.453 23 residues pruned to eliminate duplicates Z: 94 57.932 2.243 0.845 0.548 0.903 0.677 CB 1.533 94 residues pruned to eliminate duplicates Z: 59 46.466 2.335 0.668 0.524 0.966 0.586 CB 1.585 59 residues pruned to eliminate duplicates Z: 102 57.478 2.235 0.772 0.534 0.891 0.673 CB 1.567 102 residues pruned to eliminate duplicates Z: 94 56.841 2.255 0.792 0.533 0.914 0.634 CB 1.545 94 residues pruned to eliminate duplicates Z: 93 61.089 2.262 0.801 0.553 0.957 0.728 CB 1.553 93 residues pruned to eliminate duplicates Z: 93 60.425 2.263 0.849 0.545 0.924 0.674 CB 1.559 93 residues pruned to eliminate duplicates Z: 94 58.740 2.252 0.843 0.535 0.925 0.645 CB 1.534 94 residues pruned to eliminate duplicates Z: 65 49.417 2.278 0.813 0.483 0.953 0.656 CB 1.597 65 residues pruned to eliminate duplicates Z: 64 48.352 2.315 0.748 0.504 0.937 0.635 CB 1.600 64 residues pruned to eliminate duplicates Z: 93 57.777 2.243 0.750 0.530 0.957 0.620 CB 1.557 93 residues pruned to eliminate duplicates Z: 95 57.541 2.224 0.836 0.534 0.915 0.638 CB 1.537 95 residues pruned to eliminate duplicates Z: 61 47.869 2.321 0.731 0.531 0.933 0.650 CB 1.599 61 residues pruned to eliminate duplicates Z: 48 34.730 2.269 0.584 0.491 0.894 0.596 CB 1.592 48 residues pruned to eliminate duplicates Z: 65 48.527 2.307 0.804 0.506 0.906 0.672 CB 1.600 65 residues pruned to eliminate duplicates Z: 94 58.966 2.239 0.840 0.554 0.925 0.634 CB 1.523 94 residues pruned to eliminate duplicates Z: 122 65.748 2.234 0.852 0.522 0.934 0.653 CB 1.513 122 residues pruned to eliminate duplicates Z: 63 49.455 2.320 0.753 0.490 0.968 0.677 CB 1.612 63 residues pruned to eliminate duplicates Z: 61 48.814 2.324 0.691 0.539 0.950 0.617 CB 1.625 61 residues pruned to eliminate duplicates Z: 72 42.826 2.212 0.713 0.518 0.901 0.634 CB 1.462 72 residues pruned to eliminate duplicates Z: 118 56.691 2.208 0.768 0.477 0.932 0.624 CB 1.476 118 residues pruned to eliminate duplicates Z: 63 49.310 2.320 0.789 0.516 0.935 0.661 CB 1.588 63 residues pruned to eliminate duplicates Z: 93 58.997 2.278 0.806 0.553 0.913 0.696 CB 1.556 93 residues pruned to eliminate duplicates Z: 94 56.318 2.239 0.762 0.547 0.925 0.667 CB 1.529 94 residues pruned to eliminate duplicates Z: 93 57.823 2.270 0.731 0.554 0.946 0.663 CB 1.539 93 residues pruned to eliminate duplicates Z: 43 43.650 2.350 0.662 0.594 0.952 0.738 CB 1.655 43 residues pruned to eliminate duplicates Z: 61 48.362 2.340 0.736 0.541 0.917 0.617 CB 1.611 61 residues pruned to eliminate duplicates Z: 44 41.310 2.317 0.683 0.569 0.953 0.605 CB 1.585 44 residues pruned to eliminate duplicates Z: 92 59.443 2.261 0.853 0.532 0.934 0.670 CB 1.544 92 residues pruned to eliminate duplicates Z: 93 53.996 2.215 0.808 0.530 0.924 0.652 CB 1.477 93 residues pruned to eliminate duplicates Z: 61 48.038 2.311 0.714 0.526 0.933 0.667 CB 1.635 61 residues pruned to eliminate duplicates Z: 52 40.659 2.251 0.815 0.456 0.922 0.588 CB 1.582 52 residues pruned to eliminate duplicates Z: 65 50.716 2.309 0.826 0.507 0.938 0.656 CB 1.593 65 residues pruned to eliminate duplicates Z: 64 50.910 2.321 0.803 0.521 0.952 0.635 CB 1.576 64 residues pruned to eliminate duplicates Z: 49 38.933 2.306 0.705 0.523 0.917 0.604 CB 1.524 49 residues pruned to eliminate duplicates Z: 88 46.637 2.131 0.819 0.508 0.885 0.609 CB 1.446 88 residues pruned to eliminate duplicates Z: 43 44.215 2.344 0.685 0.602 0.976 0.667 CB 1.606 43 residues pruned to eliminate duplicates Z: 94 58.857 2.259 0.853 0.542 0.925 0.634 CB 1.514 94 residues pruned to eliminate duplicates Z: 69 55.230 2.314 0.835 0.547 0.926 0.676 CB 1.626 69 residues pruned to eliminate duplicates Z: 69 49.060 2.269 0.824 0.523 0.912 0.632 CB 1.540 69 residues pruned to eliminate duplicates Z: 46 37.126 2.328 0.674 0.541 0.889 0.556 CB 1.534 46 residues pruned to eliminate duplicates Z: 94 61.259 2.251 0.846 0.556 0.946 0.656 CB 1.530 94 residues pruned to eliminate duplicates Z: 61 50.627 2.322 0.808 0.543 0.933 0.617 CB 1.599 61 residues pruned to eliminate duplicates Z: 93 61.402 2.268 0.845 0.559 0.946 0.674 CB 1.528 93 residues pruned to eliminate duplicates Z: 71 45.945 2.240 0.798 0.520 0.929 0.600 CB 1.440 71 residues pruned to eliminate duplicates Z: 64 50.569 2.316 0.845 0.525 0.937 0.619 CB 1.553 64 residues pruned to eliminate duplicates Z: 47 39.517 2.298 0.724 0.531 0.935 0.609 CB 1.527 47 residues pruned to eliminate duplicates Z: 93 58.721 2.256 0.846 0.559 0.913 0.674 CB 1.520 93 residues pruned to eliminate duplicates Z: 65 49.593 2.312 0.845 0.513 0.922 0.656 CB 1.557 65 residues pruned to eliminate duplicates Z: 43 42.602 2.295 0.814 0.583 0.952 0.619 CB 1.531 43 residues pruned to eliminate duplicates Z: 95 54.715 2.211 0.836 0.540 0.904 0.638 CB 1.478 95 residues pruned to eliminate duplicates Z: 48 44.148 2.314 0.761 0.564 0.936 0.681 CB 1.586 48 residues pruned to eliminate duplicates Z: 93 58.223 2.210 0.837 0.554 0.957 0.685 CB 1.482 93 residues pruned to eliminate duplicates Z: 88 50.650 2.199 0.783 0.553 0.885 0.667 CB 1.486 88 residues pruned to eliminate duplicates Z: 61 51.789 2.313 0.818 0.543 0.933 0.650 CB 1.632 61 residues pruned to eliminate duplicates Z: 87 56.169 2.302 0.842 0.532 0.942 0.674 CB 1.469 87 residues pruned to eliminate duplicates Z: 87 54.515 2.283 0.824 0.504 0.907 0.640 CB 1.549 87 residues pruned to eliminate duplicates Z: 33 19.577 2.064 0.839 0.430 0.812 0.656 CB 1.207 33 residues pruned to eliminate duplicates Z: 13 15.656 2.020 0.996 0.532 0.750 0.667 CB 1.448 13 residues pruned to eliminate duplicates Z: 26 21.508 2.100 0.871 0.451 0.880 0.720 CB 1.308 26 residues pruned to eliminate duplicates Z: 14 13.239 1.934 0.594 0.531 0.846 0.615 CA 1.365 14 residues pruned to eliminate duplicates Z: 26 23.225 2.170 0.709 0.483 0.920 0.640 CB 1.385 26 residues pruned to eliminate duplicates Z: 28 20.015 2.167 0.740 0.488 0.778 0.667 CB 1.330 28 residues pruned to eliminate duplicates Z: 93 56.905 2.262 0.859 0.505 0.913 0.652 CB 1.538 93 residues pruned to eliminate duplicates Z: 13 20.670 2.068 1.080 0.533 1.000 0.667 CB 1.343 13 residues pruned to eliminate duplicates Z: 28 24.619 2.181 0.736 0.487 0.963 0.704 CB 1.316 28 residues pruned to eliminate duplicates Z: 87 50.878 2.203 0.870 0.502 0.884 0.628 CB 1.504 87 residues pruned to eliminate duplicates Z: 24 21.916 2.135 0.827 0.497 0.870 0.652 CB 1.351 24 residues pruned to eliminate duplicates Z: 27 14.237 1.995 0.830 0.335 0.769 0.577 CB 1.191 27 residues pruned to eliminate duplicates Z: 31 19.831 2.095 0.609 0.447 0.900 0.567 CB 1.260 31 residues pruned to eliminate duplicates Z: 25 21.921 2.111 0.826 0.490 0.917 0.667 CB 1.279 25 residues pruned to eliminate duplicates Z: 19 13.410 2.100 0.553 0.406 1.000 0.500 CB 1.070 19 residues pruned to eliminate duplicates Z: 19 13.618 2.091 0.672 0.390 0.833 0.611 CB 1.238 19 residues pruned to eliminate duplicates Z: 17 19.401 2.239 0.870 0.454 0.875 0.688 CB 1.388 17 residues pruned to eliminate duplicates Z: 122 58.803 2.171 0.786 0.523 0.950 0.653 CB 1.418 122 residues pruned to eliminate duplicates Z: 19 15.010 2.070 0.647 0.377 0.944 0.500 CB 1.252 19 residues pruned to eliminate duplicates Z: 28 24.198 2.208 0.967 0.491 0.889 0.704 CB 1.217 28 residues pruned to eliminate duplicates Z: 28 24.588 2.205 0.985 0.491 0.852 0.704 CB 1.280 28 residues pruned to eliminate duplicates Z: 9 12.810 1.921 1.207 0.386 1.000 0.625 CB 1.205 9 residues pruned to eliminate duplicates Z: 28 27.747 2.222 1.059 0.494 0.889 0.630 CB 1.321 28 residues pruned to eliminate duplicates Z: 30 23.675 2.123 0.886 0.473 0.897 0.828 CB 1.258 30 residues pruned to eliminate duplicates Z: 26 26.167 2.214 0.882 0.512 0.960 0.760 CB 1.293 26 residues pruned to eliminate duplicates Z: 21 23.255 2.071 0.782 0.536 0.950 0.750 CB 1.432 21 residues pruned to eliminate duplicates Z: 7 4.684 1.450 0.941 0.247 0.833 0.500 CB 1.091 7 residues pruned to eliminate duplicates Z: 16 18.267 1.820 0.797 0.614 0.933 0.733 CB 1.387 16 residues pruned to eliminate duplicates Z: 9 25.508 2.146 1.077 0.812 1.000 0.875 CB 1.542 9 residues pruned to eliminate duplicates Z: 6 2.445 1.456 0.362 0.404 0.800 0.200 CA 0.762 6 residues pruned to eliminate duplicates Z: 96 64.676 2.278 0.776 0.541 0.937 0.716 CB 1.681 96 residues pruned to eliminate duplicates Z: 124 70.118 2.246 0.810 0.520 0.951 0.634 CB 1.603 124 residues pruned to eliminate duplicates Z: 36 39.138 2.237 0.796 0.572 0.971 0.771 CB 1.582 36 residues pruned to eliminate duplicates Z: 98 63.155 2.267 0.777 0.545 0.918 0.608 CB 1.659 98 residues pruned to eliminate duplicates Z: 82 61.741 2.292 0.823 0.528 0.938 0.667 CB 1.703 81 residues pruned to eliminate duplicates Z: 6 4.565 1.682 0.414 0.371 0.800 0.800 CA 1.232 6 residues pruned to eliminate duplicates Z: 80 61.801 2.308 0.844 0.519 0.937 0.646 CB 1.712 80 residues pruned to eliminate duplicates Z: 35 39.675 2.204 0.818 0.595 0.971 0.765 CB 1.598 35 residues pruned to eliminate duplicates Z: 36 39.460 2.227 0.948 0.547 0.914 0.743 CB 1.607 36 residues pruned to eliminate duplicates Z: 46 50.973 2.318 0.979 0.527 0.956 0.667 CB 1.687 47 residues pruned to eliminate duplicates Z: 16 30.035 2.020 1.205 0.811 0.933 0.800 CB 1.423 16 residues pruned to eliminate duplicates Z: 49 48.850 2.266 0.997 0.507 0.938 0.771 CB 1.651 49 residues pruned to eliminate duplicates Z: 15 26.591 2.069 0.899 0.811 0.929 0.643 CB 1.485 15 residues pruned to eliminate duplicates Z: 36 42.485 2.204 0.992 0.559 0.943 0.714 CB 1.638 36 residues pruned to eliminate duplicates Z: 81 61.982 2.279 0.907 0.562 0.913 0.637 CB 1.646 81 residues pruned to eliminate duplicates Z: 38 39.280 2.207 1.068 0.507 0.919 0.676 CB 1.529 38 residues pruned to eliminate duplicates Z: 16 27.113 2.098 1.144 0.694 0.933 0.467 CB 1.397 16 residues pruned to eliminate duplicates Z: 83 58.383 2.262 0.829 0.500 0.939 0.634 CB 1.660 83 residues pruned to eliminate duplicates Z: 95 69.982 2.307 0.942 0.521 0.936 0.574 CB 1.687 95 residues pruned to eliminate duplicates Z: 37 40.348 2.170 0.998 0.535 0.972 0.583 CB 1.540 37 residues pruned to eliminate duplicates Z: 6 10.578 1.734 0.978 0.453 1.000 1.000 CB 1.447 6 residues pruned to eliminate duplicates Z: 64 52.701 2.310 0.784 0.515 0.937 0.667 CB 1.695 64 residues pruned to eliminate duplicates Z: 53 52.070 2.317 0.999 0.529 0.923 0.750 CB 1.641 53 residues pruned to eliminate duplicates Z: 6 9.896 2.270 0.636 0.350 1.000 0.600 CA 1.402 6 residues pruned to eliminate duplicates Z: 64 52.872 2.271 0.766 0.519 0.952 0.603 CB 1.711 64 residues pruned to eliminate duplicates Z: 96 68.246 2.262 0.904 0.534 0.947 0.547 CB 1.661 96 residues pruned to eliminate duplicates Z: 8 10.457 1.852 0.543 0.582 1.000 0.571 CB 1.279 8 residues pruned to eliminate duplicates Z: 97 66.423 2.265 0.887 0.515 0.948 0.646 CB 1.648 97 residues pruned to eliminate duplicates Z: 55 48.021 2.300 0.930 0.499 0.889 0.648 CB 1.658 55 residues pruned to eliminate duplicates Z: 66 48.787 2.295 0.738 0.499 0.908 0.692 CB 1.673 66 residues pruned to eliminate duplicates Z: 61 56.515 2.309 0.839 0.557 0.950 0.667 CB 1.712 61 residues pruned to eliminate duplicates Z: 60 56.145 2.353 0.816 0.567 0.898 0.610 CB 1.784 60 residues pruned to eliminate duplicates Z: 52 37.588 2.214 0.738 0.503 0.863 0.510 CA 1.580 52 residues pruned to eliminate duplicates Z: 51 36.964 2.238 0.661 0.534 0.820 0.620 CB 1.659 51 residues pruned to eliminate duplicates Z: 48 44.483 2.277 0.819 0.520 0.936 0.532 CB 1.641 48 residues pruned to eliminate duplicates Z: 60 58.037 2.339 0.871 0.565 0.949 0.661 CA 1.709 60 residues pruned to eliminate duplicates Z: 49 40.194 2.294 0.776 0.440 0.896 0.583 CB 1.691 49 residues pruned to eliminate duplicates Z: 81 58.000 2.295 0.800 0.510 0.925 0.650 CB 1.681 81 residues pruned to eliminate duplicates Z: 48 43.658 2.272 0.781 0.509 0.915 0.617 CB 1.704 48 residues pruned to eliminate duplicates Z: 47 40.895 2.304 0.765 0.534 0.848 0.565 CA 1.691 47 residues pruned to eliminate duplicates Z: 65 46.415 2.212 0.797 0.503 0.922 0.562 CB 1.579 65 residues pruned to eliminate duplicates Z: 56 43.593 2.244 0.896 0.504 0.873 0.600 CB 1.578 56 residues pruned to eliminate duplicates Z: 43 40.638 2.263 0.748 0.594 0.905 0.667 CA 1.601 43 residues pruned to eliminate duplicates Z: 95 72.191 2.307 0.943 0.562 0.947 0.713 CB 1.652 95 residues pruned to eliminate duplicates Z: 66 49.742 2.273 0.862 0.511 0.892 0.538 CB 1.616 66 residues pruned to eliminate duplicates Z: 47 43.694 2.252 0.839 0.529 0.913 0.478 CB 1.655 47 residues pruned to eliminate duplicates Z: 62 49.029 2.276 0.790 0.519 0.902 0.607 CA 1.676 62 residues pruned to eliminate duplicates Z: 37 42.753 2.295 0.920 0.598 0.889 0.556 CA 1.656 37 residues pruned to eliminate duplicates Z: 94 62.882 2.274 0.867 0.529 0.925 0.591 CB 1.614 94 residues pruned to eliminate duplicates Z: 74 57.837 2.227 0.830 0.545 0.945 0.630 CB 1.681 74 residues pruned to eliminate duplicates Z: 57 52.025 2.277 0.900 0.531 0.929 0.571 CA 1.678 57 residues pruned to eliminate duplicates Z: 67 50.740 2.304 0.833 0.523 0.864 0.652 CB 1.674 67 residues pruned to eliminate duplicates Z: 49 46.950 2.297 0.755 0.558 0.958 0.562 CB 1.659 49 residues pruned to eliminate duplicates Z: 44 42.329 2.232 0.776 0.576 0.930 0.605 CA 1.628 44 residues pruned to eliminate duplicates Z: 65 46.940 2.181 0.872 0.537 0.891 0.703 CB 1.556 65 residues pruned to eliminate duplicates Z: 42 42.593 2.252 0.845 0.605 0.902 0.683 CA 1.605 42 residues pruned to eliminate duplicates Z: 87 56.249 2.216 0.761 0.534 0.942 0.570 CB 1.595 87 residues pruned to eliminate duplicates Z: 43 41.483 2.236 0.833 0.547 0.905 0.500 CB 1.649 43 residues pruned to eliminate duplicates Z: 95 73.004 2.307 0.936 0.542 0.957 0.628 CB 1.691 95 residues pruned to eliminate duplicates Z: 60 58.345 2.334 0.900 0.560 0.949 0.593 CB 1.702 60 residues pruned to eliminate duplicates Z: 54 41.270 2.246 0.720 0.473 0.906 0.566 CB 1.666 54 residues pruned to eliminate duplicates Z: 47 40.979 2.221 0.759 0.573 0.913 0.674 CA 1.579 47 residues pruned to eliminate duplicates Z: 95 66.312 2.288 0.846 0.525 0.936 0.585 CB 1.687 95 residues pruned to eliminate duplicates Z: 96 58.374 2.267 0.795 0.524 0.884 0.600 CB 1.626 96 residues pruned to eliminate duplicates Z: 49 45.562 2.210 0.760 0.530 0.979 0.688 CA 1.677 49 residues pruned to eliminate duplicates Z: 93 75.264 2.326 0.940 0.563 0.957 0.696 CB 1.710 94 residues pruned to eliminate duplicates Z: 12 33.696 2.302 0.951 0.908 1.000 0.909 CA 1.607 12 residues pruned to eliminate duplicates Z: 47 43.673 2.272 0.746 0.556 0.935 0.652 CA 1.644 47 residues pruned to eliminate duplicates Z: 47 48.020 2.286 0.818 0.569 0.935 0.652 CA 1.705 47 residues pruned to eliminate duplicates Z: 61 55.688 2.314 0.906 0.556 0.917 0.633 CA 1.685 61 residues pruned to eliminate duplicates Z: 47 37.654 2.149 0.764 0.557 0.913 0.652 CA 1.519 47 residues pruned to eliminate duplicates Z: 16 25.536 2.258 0.840 0.685 0.933 0.667 CA 1.434 16 residues pruned to eliminate duplicates Z: 47 45.455 2.265 0.859 0.534 0.935 0.696 CA 1.646 47 residues pruned to eliminate duplicates Z: 61 55.607 2.296 0.896 0.560 0.917 0.650 CB 1.697 61 residues pruned to eliminate duplicates Z: 116 67.787 2.247 0.840 0.517 0.930 0.661 CB 1.617 116 residues pruned to eliminate duplicates Z: 61 53.566 2.220 0.957 0.550 0.950 0.700 CB 1.596 61 residues pruned to eliminate duplicates Z: 87 52.684 2.253 0.830 0.476 0.930 0.628 CB 1.518 87 residues pruned to eliminate duplicates Z: 25 28.611 2.157 1.059 0.461 0.958 0.750 CB 1.428 25 residues pruned to eliminate duplicates Z: 25 23.707 2.095 1.038 0.454 0.958 0.625 CB 1.240 25 residues pruned to eliminate duplicates Z: 26 23.276 2.098 0.883 0.470 0.880 0.600 CB 1.381 26 residues pruned to eliminate duplicates Z: 27 23.430 2.088 0.943 0.440 0.846 0.615 CB 1.423 27 residues pruned to eliminate duplicates Z: 26 29.060 2.145 1.219 0.455 0.920 0.720 CB 1.389 26 residues pruned to eliminate duplicates Z: 27 17.983 1.994 0.817 0.431 0.808 0.500 CB 1.294 27 residues pruned to eliminate duplicates Z: 24 23.869 2.137 1.007 0.478 0.870 0.652 CB 1.365 24 residues pruned to eliminate duplicates Z: 89 55.859 2.222 0.886 0.525 0.920 0.568 CB 1.506 89 residues pruned to eliminate duplicates Z: 24 24.094 2.131 0.966 0.499 0.870 0.696 CB 1.381 24 residues pruned to eliminate duplicates Z: 18 23.273 2.170 0.910 0.471 1.000 0.588 CB 1.402 18 residues pruned to eliminate duplicates Z: 15 10.906 1.976 0.751 0.353 0.786 0.714 CB 1.257 15 residues pruned to eliminate duplicates Z: 20 21.153 2.085 0.954 0.451 0.895 0.526 CB 1.400 20 residues pruned to eliminate duplicates Z: 17 6.656 1.917 0.576 0.248 0.688 0.312 CB 1.071 17 residues pruned to eliminate duplicates Z: 27 22.876 2.017 0.666 0.467 1.000 0.538 CB 1.380 27 residues pruned to eliminate duplicates Z: 20 14.915 2.003 0.707 0.353 0.895 0.526 CB 1.311 20 residues pruned to eliminate duplicates Z: 15 13.659 1.962 0.651 0.448 0.929 0.500 CB 1.279 15 residues pruned to eliminate duplicates Z: 26 26.034 2.158 1.011 0.468 0.920 0.720 CB 1.347 26 residues pruned to eliminate duplicates Z: 18 15.565 2.131 0.685 0.467 0.882 0.647 CB 1.232 18 residues pruned to eliminate duplicates Z: 32 22.723 2.078 0.867 0.438 0.871 0.548 CB 1.288 32 residues pruned to eliminate duplicates Z: 74 47.586 2.155 0.854 0.511 0.904 0.562 CB 1.525 74 residues pruned to eliminate duplicates Z: 6 9.778 1.702 0.968 0.484 1.000 0.800 C 1.327 9 residues pruned to eliminate duplicates Z: 6 9.284 1.925 0.789 0.421 1.000 0.600 CA 1.309 5 residues pruned to eliminate duplicates Z: 6 5.244 1.786 0.695 0.382 0.800 0.600 CA 1.098 Z: 6 6.284 1.626 1.115 0.409 0.800 0.600 C 1.125 377 residues left after pruning, divided into chains as follows: A: 93 B: 22 C: 14 D: 10 E: 80 F: 39 G: 119 CC for partial structure against native data = 41.03 % ------------------------------------------------------------------------------ Global autotracing cycle 3 = 0.300, Contrast = 0.449, Connect. = 0.737 for dens.mod. cycle 1 = 0.300, Contrast = 0.516, Connect. = 0.762 for dens.mod. cycle 2 = 0.300, Contrast = 0.619, Connect. = 0.789 for dens.mod. cycle 3 = 0.300, Contrast = 0.629, Connect. = 0.791 for dens.mod. cycle 4 = 0.300, Contrast = 0.643, Connect. = 0.794 for dens.mod. cycle 5 = 0.300, Contrast = 0.649, Connect. = 0.795 for dens.mod. cycle 6 = 0.300, Contrast = 0.657, Connect. = 0.797 for dens.mod. cycle 7 = 0.300, Contrast = 0.661, Connect. = 0.798 for dens.mod. cycle 8 = 0.300, Contrast = 0.666, Connect. = 0.799 for dens.mod. cycle 9 = 0.300, Contrast = 0.669, Connect. = 0.799 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2369 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 534 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 13 33.647 2.310 0.810 0.862 1.000 0.917 CA 1.705 B: 11 37.416 2.497 0.821 0.912 1.000 1.000 CB 1.844 11 residues pruned to eliminate duplicates C: 13 28.597 2.403 0.674 0.842 0.917 0.667 CB 1.668 13 residues pruned to eliminate duplicates D: 13 30.519 2.323 0.694 0.845 1.000 0.833 CA 1.664 E: 14 32.384 2.256 0.807 0.881 0.923 0.846 CB 1.729 14 residues pruned to eliminate duplicates F: 15 27.968 2.290 0.573 0.908 0.929 0.857 CA 1.587 G: 16 34.787 2.294 0.612 0.906 1.000 0.933 CB 1.728 H: 13 37.838 2.401 0.768 0.868 1.000 0.750 CA 1.880 13 residues pruned to eliminate duplicates I: 14 36.797 2.250 0.956 0.857 1.000 0.846 CA 1.709 14 residues pruned to eliminate duplicates J: 13 23.752 2.374 0.355 0.780 0.917 0.750 CA 1.817 13 residues pruned to eliminate duplicates K: 14 42.735 2.244 1.160 0.889 1.000 0.923 CA 1.760 13 residues pruned to eliminate duplicates L: 53 39.073 2.292 0.679 0.434 0.885 0.654 CB 1.703 15 residues pruned to eliminate duplicates M: 17 28.127 2.250 0.442 0.940 0.938 0.875 CA 1.606 17 residues pruned to eliminate duplicates N: 17 29.180 2.237 0.688 0.897 0.938 0.812 CA 1.475 17 residues pruned to eliminate duplicates O: 13 32.760 2.356 0.815 0.853 0.917 0.917 CB 1.784 13 residues pruned to eliminate duplicates P: 41 45.331 2.261 0.832 0.562 0.975 0.725 CB 1.672 12 residues pruned to eliminate duplicates Q: 13 27.189 2.266 0.768 0.879 0.917 0.833 CA 1.551 R: 13 41.905 2.353 0.999 0.860 1.000 0.917 CA 1.891 13 residues pruned to eliminate duplicates S: 15 34.706 2.319 0.737 0.879 0.929 0.786 CA 1.798 15 residues pruned to eliminate duplicates T: 12 28.896 2.267 0.971 0.912 0.909 0.818 CA 1.518 12 residues pruned to eliminate duplicates U: 15 31.029 2.082 0.885 0.834 0.929 0.714 CA 1.707 15 residues pruned to eliminate duplicates V: 16 27.477 2.275 0.385 0.931 1.000 0.933 CA 1.574 16 residues pruned to eliminate duplicates W: 14 35.478 2.208 0.958 0.894 1.000 0.846 CB 1.632 14 residues pruned to eliminate duplicates X: 12 38.677 2.383 0.920 0.934 1.000 1.000 CA 1.777 12 residues pruned to eliminate duplicates Y: 57 46.763 2.301 0.826 0.519 0.893 0.625 CB 1.635 57 residues pruned to eliminate duplicates Z: 15 32.762 2.106 0.918 0.863 1.000 0.714 CB 1.590 15 residues pruned to eliminate duplicates Z: 94 58.065 2.203 0.762 0.555 0.925 0.602 CB 1.590 15 residues pruned to eliminate duplicates Z: 61 43.585 2.289 0.668 0.521 0.900 0.667 CB 1.603 30 residues pruned to eliminate duplicates Z: 14 23.104 2.144 0.760 0.835 0.923 0.769 CA 1.378 14 residues pruned to eliminate duplicates Z: 13 39.933 2.278 1.265 0.919 0.917 0.917 CA 1.719 13 residues pruned to eliminate duplicates Z: 12 25.933 2.403 0.459 0.879 1.000 0.818 CA 1.617 12 residues pruned to eliminate duplicates Z: 13 22.558 2.170 0.613 0.785 0.917 0.833 CA 1.580 13 residues pruned to eliminate duplicates Z: 36 39.451 2.299 0.811 0.571 0.914 0.743 CB 1.636 36 residues pruned to eliminate duplicates Z: 16 30.842 2.061 1.091 0.841 0.933 0.667 CB 1.476 16 residues pruned to eliminate duplicates Z: 16 26.242 2.184 0.401 0.952 1.000 1.000 CB 1.525 16 residues pruned to eliminate duplicates Z: 81 54.082 2.203 0.733 0.543 0.950 0.688 CB 1.598 81 residues pruned to eliminate duplicates Z: 16 31.407 2.288 0.590 0.897 0.933 0.867 CB 1.710 16 residues pruned to eliminate duplicates Z: 34 43.692 2.310 0.777 0.620 0.970 0.667 CB 1.706 34 residues pruned to eliminate duplicates Z: 15 29.421 2.144 0.703 0.871 0.929 0.857 CB 1.692 15 residues pruned to eliminate duplicates Z: 11 34.286 2.405 0.977 0.923 1.000 1.000 CA 1.602 13 residues pruned to eliminate duplicates Z: 14 36.287 2.240 0.762 0.884 1.000 0.846 CA 1.842 14 residues pruned to eliminate duplicates Z: 61 47.472 2.282 0.678 0.566 0.917 0.650 CB 1.638 61 residues pruned to eliminate duplicates Z: 49 46.112 2.265 0.881 0.534 0.917 0.646 CB 1.649 49 residues pruned to eliminate duplicates Z: 20 15.276 1.810 0.774 0.458 0.947 0.737 CB 1.202 Z: 13 33.657 2.333 0.779 0.857 1.000 1.000 CA 1.725 13 residues pruned to eliminate duplicates Z: 14 25.534 2.167 0.850 0.804 0.923 0.923 CA 1.467 13 residues pruned to eliminate duplicates Z: 13 23.151 1.884 0.931 0.845 1.000 0.833 CB 1.366 13 residues pruned to eliminate duplicates Z: 15 28.156 2.333 0.454 0.918 0.929 0.643 CB 1.684 15 residues pruned to eliminate duplicates Z: 16 30.000 2.235 0.579 0.914 1.000 0.800 CB 1.552 16 residues pruned to eliminate duplicates Z: 30 26.881 2.157 0.939 0.468 0.931 0.586 CB 1.325 Z: 15 35.010 2.404 0.562 0.930 1.000 0.929 CB 1.743 15 residues pruned to eliminate duplicates Z: 29 26.861 2.114 0.820 0.437 0.929 0.643 CB 1.516 Z: 25 21.551 2.142 0.684 0.414 0.917 0.750 CB 1.456 25 residues pruned to eliminate duplicates Z: 15 33.417 2.131 0.994 0.824 0.929 0.857 CB 1.709 15 residues pruned to eliminate duplicates Z: 93 61.771 2.265 0.775 0.552 0.957 0.685 CB 1.592 60 residues pruned to eliminate duplicates Z: 15 30.405 2.156 0.852 0.802 0.929 0.786 CB 1.683 15 residues pruned to eliminate duplicates Z: 89 52.331 2.234 0.812 0.484 0.909 0.602 CB 1.540 91 residues pruned to eliminate duplicates Z: 35 34.031 2.085 0.766 0.538 0.971 0.529 CB 1.573 35 residues pruned to eliminate duplicates Z: 16 29.222 2.221 0.519 0.945 1.000 0.733 CB 1.547 16 residues pruned to eliminate duplicates Z: 16 35.465 2.288 0.714 0.930 1.000 1.000 CB 1.632 16 residues pruned to eliminate duplicates Z: 16 32.245 2.302 0.599 0.877 0.933 0.600 CB 1.759 16 residues pruned to eliminate duplicates Z: 16 21.081 1.952 0.869 0.619 1.000 0.733 CB 1.333 20 residues pruned to eliminate duplicates Z: 15 30.321 2.096 0.661 0.845 1.000 0.857 CB 1.731 15 residues pruned to eliminate duplicates Z: 80 53.309 2.204 0.807 0.535 0.924 0.620 CB 1.574 80 residues pruned to eliminate duplicates Z: 58 45.868 2.263 0.737 0.535 0.877 0.632 CB 1.703 58 residues pruned to eliminate duplicates Z: 16 35.287 2.281 0.646 0.936 1.000 0.867 CB 1.690 16 residues pruned to eliminate duplicates Z: 61 47.856 2.282 0.713 0.557 0.917 0.550 CB 1.631 61 residues pruned to eliminate duplicates Z: 16 29.805 2.362 0.492 0.896 0.933 0.867 CA 1.676 16 residues pruned to eliminate duplicates Z: 67 49.713 2.298 0.671 0.531 0.955 0.652 CB 1.618 67 residues pruned to eliminate duplicates Z: 37 40.711 2.210 0.891 0.570 0.944 0.694 CB 1.606 36 residues pruned to eliminate duplicates Z: 60 47.990 2.288 0.779 0.537 0.932 0.644 CB 1.588 60 residues pruned to eliminate duplicates Z: 12 33.825 2.371 0.923 0.828 1.000 0.818 CB 1.685 12 residues pruned to eliminate duplicates Z: 54 44.048 2.180 0.833 0.518 0.925 0.736 CB 1.609 54 residues pruned to eliminate duplicates Z: 16 32.298 2.290 0.531 0.924 1.000 0.867 CA 1.670 16 residues pruned to eliminate duplicates Z: 43 40.636 2.289 0.969 0.464 0.881 0.500 CB 1.639 43 residues pruned to eliminate duplicates Z: 14 22.477 2.094 0.758 0.660 0.923 0.769 CB 1.580 14 residues pruned to eliminate duplicates Z: 8 7.118 1.913 0.279 0.303 0.857 0.286 N 1.598 8 residues pruned to eliminate duplicates Z: 16 26.102 2.325 0.400 0.885 0.933 0.800 CB 1.602 16 residues pruned to eliminate duplicates Z: 35 26.921 2.089 0.967 0.436 0.882 0.529 CB 1.360 40 residues pruned to eliminate duplicates Z: 15 35.559 2.399 0.601 0.909 1.000 0.786 CB 1.756 15 residues pruned to eliminate duplicates Z: 62 48.409 2.311 0.693 0.518 0.902 0.639 CB 1.725 61 residues pruned to eliminate duplicates Z: 16 26.168 2.353 0.304 0.908 0.933 0.933 CA 1.676 16 residues pruned to eliminate duplicates Z: 15 36.273 2.111 1.103 0.877 1.000 0.857 CB 1.586 15 residues pruned to eliminate duplicates Z: 36 33.754 2.063 0.828 0.558 0.914 0.657 CB 1.564 36 residues pruned to eliminate duplicates Z: 14 18.487 2.051 0.596 0.623 0.923 0.846 CB 1.510 16 residues pruned to eliminate duplicates Z: 13 30.225 2.221 0.859 0.927 1.000 0.917 CB 1.481 13 residues pruned to eliminate duplicates Z: 17 18.143 2.169 0.937 0.528 0.875 0.750 CB 1.200 Z: 16 30.906 2.186 0.699 0.927 1.000 0.533 CB 1.505 16 residues pruned to eliminate duplicates Z: 16 25.132 2.201 0.359 0.940 1.000 0.933 CB 1.506 16 residues pruned to eliminate duplicates Z: 17 24.383 2.151 0.466 0.917 0.938 0.875 CB 1.456 17 residues pruned to eliminate duplicates Z: 92 56.927 2.272 0.661 0.552 0.956 0.659 CB 1.572 92 residues pruned to eliminate duplicates Z: 42 35.306 2.087 0.880 0.535 0.902 0.610 CB 1.504 42 residues pruned to eliminate duplicates Z: 12 13.318 2.105 0.578 0.525 0.818 0.727 CB 1.441 12 residues pruned to eliminate duplicates Z: 11 21.376 1.991 0.964 0.785 1.000 0.800 CB 1.345 Z: 15 29.814 2.306 0.566 0.947 1.000 0.714 CB 1.525 15 residues pruned to eliminate duplicates Z: 61 45.573 2.293 0.704 0.546 0.867 0.650 CA 1.660 61 residues pruned to eliminate duplicates Z: 28 22.704 2.067 0.729 0.469 0.926 0.556 CB 1.362 28 residues pruned to eliminate duplicates Z: 61 51.005 2.265 0.749 0.549 0.950 0.700 CB 1.668 61 residues pruned to eliminate duplicates Z: 94 58.573 2.253 0.766 0.547 0.935 0.656 CB 1.559 94 residues pruned to eliminate duplicates Z: 16 27.945 2.192 0.632 0.930 0.933 0.800 CB 1.511 16 residues pruned to eliminate duplicates Z: 16 25.145 2.301 0.319 0.920 0.933 0.733 CA 1.615 16 residues pruned to eliminate duplicates Z: 70 54.206 2.309 0.851 0.549 0.913 0.638 CB 1.594 70 residues pruned to eliminate duplicates Z: 19 17.077 2.124 1.039 0.403 0.889 0.611 CB 1.157 17 residues pruned to eliminate duplicates Z: 14 26.826 2.272 0.577 0.936 1.000 0.923 CB 1.447 14 residues pruned to eliminate duplicates Z: 93 55.652 2.237 0.693 0.537 0.957 0.663 CB 1.545 93 residues pruned to eliminate duplicates Z: 62 50.468 2.247 0.777 0.544 0.951 0.639 CB 1.631 63 residues pruned to eliminate duplicates Z: 15 27.833 2.263 0.484 0.942 1.000 0.714 CB 1.537 15 residues pruned to eliminate duplicates Z: 15 15.489 2.016 1.019 0.416 0.929 0.643 CB 1.196 15 residues pruned to eliminate duplicates Z: 14 21.336 2.100 0.598 0.663 1.000 0.923 CB 1.516 14 residues pruned to eliminate duplicates Z: 16 37.499 2.302 0.666 0.940 1.000 1.000 CB 1.753 16 residues pruned to eliminate duplicates Z: 9 19.678 2.163 0.906 0.728 0.875 0.875 CA 1.570 9 residues pruned to eliminate duplicates Z: 82 54.202 2.305 0.631 0.511 0.926 0.568 CB 1.711 82 residues pruned to eliminate duplicates Z: 34 29.877 2.017 0.661 0.598 0.939 0.727 CB 1.505 34 residues pruned to eliminate duplicates Z: 15 20.232 2.077 0.551 0.737 0.857 0.643 CB 1.584 15 residues pruned to eliminate duplicates Z: 94 71.847 2.335 0.831 0.547 0.957 0.667 CB 1.739 95 residues pruned to eliminate duplicates Z: 14 23.831 2.086 0.753 0.589 1.000 0.769 CB 1.661 14 residues pruned to eliminate duplicates Z: 16 27.517 2.266 0.489 0.906 0.933 0.867 CA 1.604 16 residues pruned to eliminate duplicates Z: 15 40.161 2.368 0.876 0.938 1.000 0.857 CB 1.680 15 residues pruned to eliminate duplicates Z: 15 37.520 2.363 0.726 0.931 1.000 0.786 CA 1.718 15 residues pruned to eliminate duplicates Z: 21 27.058 2.146 0.724 0.740 0.950 0.550 CB 1.388 21 residues pruned to eliminate duplicates Z: 16 32.353 2.314 0.545 0.900 1.000 0.867 CA 1.668 16 residues pruned to eliminate duplicates Z: 10 15.544 2.023 0.776 0.731 0.889 0.778 CB 1.318 10 residues pruned to eliminate duplicates Z: 95 61.848 2.280 0.822 0.533 0.904 0.628 CB 1.645 95 residues pruned to eliminate duplicates Z: 16 16.258 1.888 0.676 0.618 0.933 0.733 CB 1.271 15 residues pruned to eliminate duplicates Z: 23 22.146 2.131 0.810 0.513 0.909 0.727 CB 1.330 17 residues pruned to eliminate duplicates Z: 93 65.026 2.256 0.765 0.574 0.967 0.696 CB 1.638 93 residues pruned to eliminate duplicates Z: 94 59.396 2.215 0.782 0.546 0.925 0.624 CB 1.613 94 residues pruned to eliminate duplicates Z: 13 33.939 2.269 1.067 0.857 1.000 0.833 CA 1.539 13 residues pruned to eliminate duplicates Z: 94 61.362 2.232 0.698 0.580 0.946 0.731 CB 1.643 94 residues pruned to eliminate duplicates Z: 13 25.486 2.113 0.922 0.834 1.000 0.750 CA 1.358 13 residues pruned to eliminate duplicates Z: 14 27.265 2.179 0.851 0.745 0.846 0.692 CA 1.780 14 residues pruned to eliminate duplicates Z: 35 38.387 2.284 0.700 0.576 0.971 0.735 CB 1.623 35 residues pruned to eliminate duplicates Z: 15 33.133 2.058 1.132 0.877 0.929 0.857 CA 1.579 15 residues pruned to eliminate duplicates Z: 14 18.507 1.914 0.613 0.813 0.923 0.692 CB 1.372 14 residues pruned to eliminate duplicates Z: 19 16.864 2.063 0.694 0.443 0.944 0.611 CB 1.277 19 residues pruned to eliminate duplicates Z: 12 21.364 2.085 0.724 0.707 1.000 0.455 CA 1.485 12 residues pruned to eliminate duplicates Z: 94 55.856 2.233 0.703 0.551 0.935 0.667 CB 1.550 94 residues pruned to eliminate duplicates Z: 9 10.031 1.975 0.888 0.321 0.750 0.375 CA 1.545 9 residues pruned to eliminate duplicates Z: 24 19.885 2.064 0.908 0.465 0.870 0.696 CB 1.255 24 residues pruned to eliminate duplicates Z: 14 15.705 1.839 0.578 0.877 1.000 0.846 CB 1.090 14 residues pruned to eliminate duplicates Z: 14 24.571 2.045 0.509 0.932 1.000 0.846 CB 1.542 14 residues pruned to eliminate duplicates Z: 93 53.163 2.223 0.788 0.504 0.880 0.630 CB 1.577 90 residues pruned to eliminate duplicates Z: 17 22.811 2.214 0.387 0.798 1.000 0.750 CB 1.430 17 residues pruned to eliminate duplicates Z: 23 19.107 2.079 0.813 0.457 0.955 0.636 CB 1.182 23 residues pruned to eliminate duplicates Z: 30 23.848 2.054 0.920 0.430 0.966 0.655 CB 1.250 30 residues pruned to eliminate duplicates Z: 15 19.316 1.801 0.750 0.791 1.000 0.714 CB 1.269 15 residues pruned to eliminate duplicates Z: 15 40.954 2.372 0.843 0.948 1.000 0.857 CA 1.730 15 residues pruned to eliminate duplicates Z: 28 24.868 2.138 1.005 0.448 0.852 0.630 CB 1.382 28 residues pruned to eliminate duplicates Z: 11 18.590 2.019 0.980 0.763 0.900 0.800 CB 1.293 11 residues pruned to eliminate duplicates Z: 16 34.070 2.259 0.626 0.938 1.000 0.667 CB 1.666 16 residues pruned to eliminate duplicates Z: 34 19.464 1.942 0.783 0.452 0.818 0.606 CB 1.257 34 residues pruned to eliminate duplicates Z: 61 43.938 2.316 0.657 0.522 0.883 0.633 CB 1.637 61 residues pruned to eliminate duplicates Z: 9 11.108 1.753 1.195 0.645 0.750 0.750 CA 1.189 Z: 14 23.766 1.879 0.955 0.849 1.000 0.769 CB 1.331 14 residues pruned to eliminate duplicates Z: 21 22.610 2.146 0.900 0.441 0.950 0.650 CB 1.387 21 residues pruned to eliminate duplicates Z: 28 22.132 2.084 0.649 0.452 0.852 0.593 CB 1.529 51 residues pruned to eliminate duplicates Z: 18 28.040 2.282 0.783 0.455 0.941 0.706 C 1.860 18 residues pruned to eliminate duplicates Z: 15 28.018 2.159 0.767 0.827 0.929 0.786 CB 1.593 15 residues pruned to eliminate duplicates Z: 8 7.150 1.753 0.739 0.469 0.714 0.714 CB 1.281 4 residues pruned to eliminate duplicates Z: 10 13.734 1.974 0.807 0.644 0.889 0.667 CB 1.262 9 residues pruned to eliminate duplicates Z: 44 40.076 2.088 1.010 0.578 0.907 0.605 CB 1.489 44 residues pruned to eliminate duplicates Z: 16 29.221 2.273 0.398 0.931 1.000 0.933 CA 1.659 16 residues pruned to eliminate duplicates Z: 94 59.658 2.233 0.805 0.557 0.903 0.591 CB 1.607 94 residues pruned to eliminate duplicates Z: 34 27.290 2.071 0.613 0.584 0.970 0.758 CB 1.353 34 residues pruned to eliminate duplicates Z: 29 19.055 2.088 0.539 0.474 0.929 0.679 CB 1.239 Z: 80 47.514 2.200 0.749 0.525 0.911 0.671 CB 1.488 80 residues pruned to eliminate duplicates Z: 94 56.061 2.196 0.731 0.550 0.935 0.667 CB 1.558 94 residues pruned to eliminate duplicates Z: 50 43.351 2.231 0.784 0.577 0.918 0.714 CB 1.573 50 residues pruned to eliminate duplicates Z: 57 33.346 2.151 0.622 0.438 0.875 0.500 CB 1.556 57 residues pruned to eliminate duplicates Z: 55 44.711 2.208 0.837 0.497 0.963 0.667 CB 1.562 55 residues pruned to eliminate duplicates Z: 15 10.031 2.045 0.782 0.379 0.714 0.643 CB 1.172 15 residues pruned to eliminate duplicates Z: 32 26.778 2.060 0.699 0.636 0.935 0.677 CB 1.294 32 residues pruned to eliminate duplicates Z: 11 10.007 1.767 0.866 0.337 0.900 0.500 N 1.274 11 residues pruned to eliminate duplicates Z: 29 27.189 2.188 0.649 0.439 0.929 0.536 CB 1.633 29 residues pruned to eliminate duplicates Z: 15 18.704 1.786 0.731 0.820 1.000 0.714 CA 1.225 15 residues pruned to eliminate duplicates Z: 6 4.160 1.530 0.558 0.737 0.800 0.800 CA 0.789 6 residues pruned to eliminate duplicates Z: 26 21.042 2.149 0.649 0.465 0.920 0.680 CB 1.338 26 residues pruned to eliminate duplicates Z: 20 13.830 2.001 0.721 0.463 0.842 0.684 CB 1.136 18 residues pruned to eliminate duplicates Z: 25 34.242 2.318 0.745 0.524 0.958 0.708 CB 1.761 25 residues pruned to eliminate duplicates Z: 16 32.113 2.371 0.610 0.897 0.933 0.867 CA 1.666 16 residues pruned to eliminate duplicates Z: 24 31.045 2.229 0.927 0.553 0.870 0.565 CB 1.645 24 residues pruned to eliminate duplicates Z: 14 32.939 2.166 1.146 0.892 0.923 0.846 CA 1.530 14 residues pruned to eliminate duplicates Z: 15 24.533 2.273 0.356 0.934 1.000 0.929 CB 1.484 15 residues pruned to eliminate duplicates Z: 10 14.092 1.911 1.169 0.643 0.778 0.667 CB 1.274 10 residues pruned to eliminate duplicates Z: 12 26.084 2.137 0.733 0.880 1.000 0.818 CA 1.539 12 residues pruned to eliminate duplicates Z: 17 19.096 2.181 0.769 0.514 0.938 0.750 CB 1.301 20 residues pruned to eliminate duplicates Z: 6 9.542 1.875 0.698 0.656 0.800 0.800 CA 1.450 6 residues pruned to eliminate duplicates Z: 14 20.130 2.215 0.711 0.586 0.923 0.769 CB 1.470 14 residues pruned to eliminate duplicates Z: 17 26.229 2.209 0.330 0.909 0.938 0.812 CA 1.689 17 residues pruned to eliminate duplicates Z: 10 15.799 1.990 0.968 0.664 0.778 0.667 CB 1.486 10 residues pruned to eliminate duplicates Z: 94 59.288 2.226 0.764 0.559 0.957 0.699 CB 1.545 94 residues pruned to eliminate duplicates Z: 16 37.390 2.263 0.765 0.930 1.000 0.667 CB 1.689 16 residues pruned to eliminate duplicates Z: 35 36.229 2.246 0.702 0.576 0.941 0.735 CB 1.605 35 residues pruned to eliminate duplicates Z: 13 9.722 1.878 0.785 0.327 0.833 0.583 CB 1.215 13 residues pruned to eliminate duplicates Z: 14 29.218 2.207 0.687 0.864 1.000 0.769 CB 1.596 14 residues pruned to eliminate duplicates Z: 50 39.739 2.134 0.796 0.545 0.939 0.796 CB 1.509 50 residues pruned to eliminate duplicates Z: 94 54.153 2.238 0.620 0.550 0.957 0.677 CB 1.541 94 residues pruned to eliminate duplicates Z: 92 57.143 2.199 0.792 0.520 0.912 0.670 CB 1.633 92 residues pruned to eliminate duplicates Z: 15 23.903 2.156 0.361 0.866 1.000 0.929 CB 1.594 15 residues pruned to eliminate duplicates Z: 10 20.520 1.882 1.173 0.755 1.000 0.889 CB 1.333 10 residues pruned to eliminate duplicates Z: 36 32.378 2.039 0.814 0.584 0.943 0.686 CB 1.448 36 residues pruned to eliminate duplicates Z: 14 15.860 1.857 1.146 0.485 0.769 0.692 CB 1.456 14 residues pruned to eliminate duplicates Z: 62 45.619 2.258 0.734 0.504 0.934 0.623 CB 1.589 62 residues pruned to eliminate duplicates Z: 24 19.466 2.048 0.695 0.497 0.870 0.739 CB 1.348 24 residues pruned to eliminate duplicates Z: 12 9.406 1.871 0.525 0.544 0.818 0.364 CB 1.164 12 residues pruned to eliminate duplicates Z: 18 16.528 1.882 1.028 0.407 0.824 0.588 CB 1.405 18 residues pruned to eliminate duplicates Z: 24 20.712 2.126 0.840 0.464 0.913 0.739 CB 1.255 24 residues pruned to eliminate duplicates Z: 20 22.548 2.078 0.696 0.554 0.947 0.737 CB 1.469 20 residues pruned to eliminate duplicates Z: 18 16.035 2.075 0.802 0.412 0.882 0.588 CB 1.294 18 residues pruned to eliminate duplicates Z: 16 31.499 2.285 0.488 0.898 1.000 0.867 CB 1.711 16 residues pruned to eliminate duplicates Z: 30 23.068 2.119 0.704 0.442 0.966 0.517 CB 1.304 30 residues pruned to eliminate duplicates Z: 24 16.530 2.061 0.727 0.512 0.870 0.739 CB 1.100 24 residues pruned to eliminate duplicates Z: 94 62.424 2.228 0.772 0.559 0.946 0.699 CB 1.636 94 residues pruned to eliminate duplicates Z: 14 10.641 1.828 0.456 0.504 0.923 0.615 CB 1.196 14 residues pruned to eliminate duplicates Z: 14 22.276 1.868 0.854 0.872 1.000 0.769 CB 1.300 14 residues pruned to eliminate duplicates Z: 15 17.208 2.009 0.794 0.502 0.857 0.714 CA 1.486 15 residues pruned to eliminate duplicates Z: 66 45.978 2.272 0.807 0.501 0.831 0.600 CB 1.670 66 residues pruned to eliminate duplicates Z: 13 15.089 2.007 0.893 0.532 0.750 0.583 CB 1.481 13 residues pruned to eliminate duplicates Z: 7 5.385 1.228 0.674 0.832 1.000 0.833 CA 0.803 7 residues pruned to eliminate duplicates Z: 11 16.993 1.946 0.725 0.725 0.900 0.700 CB 1.451 11 residues pruned to eliminate duplicates Z: 16 22.136 2.178 0.739 0.480 1.000 0.733 CA 1.540 16 residues pruned to eliminate duplicates Z: 42 29.445 2.110 0.644 0.471 0.878 0.610 CB 1.555 42 residues pruned to eliminate duplicates Z: 7 8.124 1.616 0.619 0.707 0.833 0.667 CA 1.260 7 residues pruned to eliminate duplicates Z: 25 17.373 2.016 0.726 0.448 0.875 0.667 CB 1.229 23 residues pruned to eliminate duplicates Z: 43 36.327 2.058 0.805 0.584 0.929 0.643 CB 1.499 43 residues pruned to eliminate duplicates Z: 9 7.050 1.663 0.408 0.545 0.875 0.875 CB 1.164 9 residues pruned to eliminate duplicates Z: 17 7.406 1.630 0.578 0.266 0.875 0.562 CB 1.074 18 residues pruned to eliminate duplicates Z: 17 25.650 2.095 0.515 0.912 0.938 0.750 CB 1.526 17 residues pruned to eliminate duplicates Z: 16 32.906 2.214 0.810 0.911 1.000 0.867 CB 1.504 16 residues pruned to eliminate duplicates Z: 10 14.424 2.089 0.598 0.457 0.889 0.778 C 1.693 10 residues pruned to eliminate duplicates Z: 19 15.078 2.018 0.847 0.411 0.833 0.611 CB 1.256 19 residues pruned to eliminate duplicates Z: 27 19.237 2.048 0.851 0.425 0.846 0.615 CB 1.272 27 residues pruned to eliminate duplicates Z: 30 30.044 2.069 0.679 0.657 0.966 0.793 CB 1.438 30 residues pruned to eliminate duplicates Z: 16 30.334 2.239 0.498 0.933 1.000 0.867 CB 1.630 16 residues pruned to eliminate duplicates Z: 15 27.501 2.119 0.966 0.805 0.929 0.714 CB 1.455 15 residues pruned to eliminate duplicates Z: 61 46.498 2.248 0.741 0.544 0.917 0.633 CB 1.603 61 residues pruned to eliminate duplicates Z: 9 18.319 1.972 1.286 0.784 0.875 0.875 CB 1.278 10 residues pruned to eliminate duplicates Z: 10 10.755 1.858 0.647 0.525 1.000 0.444 CB 1.143 10 residues pruned to eliminate duplicates Z: 8 7.442 1.927 0.179 0.472 1.000 0.571 CA 1.273 8 residues pruned to eliminate duplicates Z: 48 40.019 2.203 0.775 0.537 0.957 0.596 CB 1.504 48 residues pruned to eliminate duplicates Z: 14 22.638 1.933 0.762 0.876 1.000 0.923 CB 1.339 14 residues pruned to eliminate duplicates Z: 12 16.706 1.849 0.713 0.726 1.000 1.000 CB 1.297 12 residues pruned to eliminate duplicates Z: 53 40.222 2.071 0.943 0.555 0.885 0.654 CB 1.486 53 residues pruned to eliminate duplicates Z: 47 27.352 2.075 0.691 0.410 0.978 0.565 CB 1.290 47 residues pruned to eliminate duplicates Z: 15 14.115 1.954 0.501 0.560 0.857 0.786 CB 1.416 15 residues pruned to eliminate duplicates Z: 65 49.607 2.296 0.768 0.510 0.906 0.672 CB 1.669 65 residues pruned to eliminate duplicates Z: 7 4.704 1.987 0.275 0.329 0.833 0.500 CB 1.097 7 residues pruned to eliminate duplicates Z: 14 18.453 1.970 0.705 0.602 0.923 0.692 CB 1.498 14 residues pruned to eliminate duplicates Z: 13 33.122 2.215 1.060 0.851 1.000 0.750 CA 1.551 13 residues pruned to eliminate duplicates Z: 49 48.701 2.251 0.810 0.583 0.958 0.625 CA 1.662 49 residues pruned to eliminate duplicates Z: 15 21.763 2.209 0.497 0.894 0.929 0.714 CB 1.359 15 residues pruned to eliminate duplicates Z: 86 51.217 2.228 0.724 0.516 0.918 0.659 CB 1.551 88 residues pruned to eliminate duplicates Z: 14 30.261 2.231 0.887 0.770 0.923 0.769 CA 1.701 14 residues pruned to eliminate duplicates Z: 35 40.096 2.317 0.818 0.594 0.941 0.647 CB 1.585 35 residues pruned to eliminate duplicates Z: 74 56.030 2.208 0.818 0.579 0.945 0.644 CB 1.602 74 residues pruned to eliminate duplicates Z: 14 24.179 1.928 0.902 0.853 1.000 0.923 CA 1.352 14 residues pruned to eliminate duplicates Z: 17 30.520 2.222 0.595 0.908 0.938 0.688 CA 1.631 17 residues pruned to eliminate duplicates Z: 8 15.552 2.008 0.739 0.730 1.000 0.714 CB 1.369 8 residues pruned to eliminate duplicates Z: 43 31.921 2.255 0.612 0.508 0.929 0.690 CB 1.448 43 residues pruned to eliminate duplicates Z: 62 39.954 2.226 0.747 0.462 0.852 0.639 CB 1.606 62 residues pruned to eliminate duplicates Z: 9 22.053 2.133 1.117 0.723 1.000 0.875 CB 1.412 9 residues pruned to eliminate duplicates Z: 94 53.596 2.205 0.788 0.547 0.914 0.645 CB 1.473 94 residues pruned to eliminate duplicates Z: 9 11.320 1.829 1.356 0.512 0.875 0.625 CB 1.049 9 residues pruned to eliminate duplicates Z: 15 18.007 2.232 -0.006 0.936 1.000 0.929 CB 1.511 15 residues pruned to eliminate duplicates Z: 14 28.385 1.915 1.180 0.870 1.000 0.923 CB 1.376 14 residues pruned to eliminate duplicates Z: 15 11.946 1.933 0.391 0.582 0.929 0.643 CB 1.182 15 residues pruned to eliminate duplicates Z: 32 17.984 2.006 0.730 0.449 0.903 0.677 CB 1.086 32 residues pruned to eliminate duplicates Z: 30 27.852 2.012 1.080 0.558 0.966 0.621 CB 1.209 30 residues pruned to eliminate duplicates Z: 46 43.856 2.179 0.955 0.513 0.978 0.689 CB 1.549 52 residues pruned to eliminate duplicates Z: 12 14.779 1.898 0.860 0.545 0.909 0.636 CB 1.329 11 residues pruned to eliminate duplicates Z: 10 3.446 1.620 0.019 0.248 0.778 0.667 CB 1.197 10 residues pruned to eliminate duplicates Z: 23 23.812 2.197 0.814 0.393 0.909 0.682 CB 1.569 23 residues pruned to eliminate duplicates Z: 28 23.985 2.074 0.665 0.526 0.926 0.667 CB 1.406 28 residues pruned to eliminate duplicates Z: 25 20.575 2.114 0.771 0.452 0.833 0.667 CB 1.414 25 residues pruned to eliminate duplicates Z: 36 36.902 2.251 0.706 0.544 0.943 0.629 CB 1.650 36 residues pruned to eliminate duplicates Z: 16 8.235 1.831 0.492 0.497 0.800 0.667 CB 0.976 16 residues pruned to eliminate duplicates Z: 21 25.777 2.061 0.832 0.467 0.950 0.650 CA 1.662 21 residues pruned to eliminate duplicates Z: 41 41.784 2.363 0.790 0.558 0.850 0.650 CB 1.737 41 residues pruned to eliminate duplicates Z: 10 11.102 1.870 0.695 0.534 0.889 0.667 CB 1.269 10 residues pruned to eliminate duplicates Z: 27 30.203 2.226 0.623 0.611 0.923 0.731 CA 1.598 27 residues pruned to eliminate duplicates Z: 15 22.604 2.182 0.529 0.894 0.929 0.571 CB 1.400 15 residues pruned to eliminate duplicates Z: 15 22.080 2.107 0.636 0.521 1.000 0.643 CB 1.677 15 residues pruned to eliminate duplicates Z: 70 47.902 2.219 0.785 0.521 0.913 0.667 CB 1.562 70 residues pruned to eliminate duplicates Z: 12 6.067 1.667 0.583 0.294 0.727 0.455 CB 1.201 12 residues pruned to eliminate duplicates Z: 21 16.943 2.027 0.731 0.421 0.900 0.750 CB 1.303 20 residues pruned to eliminate duplicates Z: 9 15.505 2.012 0.508 0.743 1.000 0.875 CB 1.454 9 residues pruned to eliminate duplicates Z: 10 7.524 1.687 0.726 0.572 1.000 0.556 CB 0.804 Z: 16 21.733 2.172 0.259 0.928 0.933 0.933 CB 1.539 16 residues pruned to eliminate duplicates Z: 27 23.401 2.068 0.963 0.536 0.885 0.577 CB 1.234 27 residues pruned to eliminate duplicates Z: 66 49.175 2.246 0.730 0.503 0.923 0.554 CB 1.694 66 residues pruned to eliminate duplicates Z: 15 21.493 1.779 0.917 0.861 1.000 0.786 CB 1.238 15 residues pruned to eliminate duplicates Z: 25 25.194 2.157 0.928 0.422 0.917 0.667 CB 1.462 25 residues pruned to eliminate duplicates Z: 8 5.051 1.482 0.556 0.431 0.714 0.571 C 1.245 8 residues pruned to eliminate duplicates Z: 15 9.158 1.924 0.478 0.355 0.857 0.571 CB 1.175 15 residues pruned to eliminate duplicates Z: 16 22.386 2.018 0.864 0.807 0.867 0.533 CB 1.356 16 residues pruned to eliminate duplicates Z: 35 27.860 2.042 0.692 0.595 0.941 0.765 CB 1.341 35 residues pruned to eliminate duplicates Z: 14 19.378 2.243 0.146 0.939 1.000 0.923 CB 1.453 14 residues pruned to eliminate duplicates Z: 6 5.584 1.583 0.592 0.507 0.800 0.400 C 1.230 6 residues pruned to eliminate duplicates Z: 8 20.730 2.077 1.026 0.703 1.000 0.857 CB 1.548 8 residues pruned to eliminate duplicates Z: 6 2.856 1.230 0.004 0.778 1.000 0.800 CA 0.809 6 residues pruned to eliminate duplicates Z: 10 11.919 1.985 0.803 0.544 0.889 0.778 CB 1.196 10 residues pruned to eliminate duplicates Z: 13 21.042 2.030 0.754 0.884 1.000 0.750 CB 1.233 13 residues pruned to eliminate duplicates Z: 67 45.891 2.251 0.683 0.550 0.909 0.606 CB 1.562 67 residues pruned to eliminate duplicates Z: 17 34.992 2.364 0.817 0.696 1.000 0.750 CA 1.703 17 residues pruned to eliminate duplicates Z: 14 23.887 1.892 0.925 0.859 1.000 0.769 CB 1.339 14 residues pruned to eliminate duplicates Z: 65 49.752 2.278 0.754 0.522 0.922 0.703 CB 1.652 65 residues pruned to eliminate duplicates Z: 46 41.151 2.247 0.743 0.540 0.956 0.556 CB 1.576 46 residues pruned to eliminate duplicates Z: 6 8.965 1.753 0.382 0.649 1.000 0.800 CA 1.441 6 residues pruned to eliminate duplicates Z: 27 19.675 1.989 0.859 0.435 0.923 0.577 CB 1.209 27 residues pruned to eliminate duplicates Z: 12 30.234 2.315 0.739 0.943 1.000 0.909 CA 1.570 12 residues pruned to eliminate duplicates Z: 6 3.774 1.441 0.234 0.442 1.000 0.400 CB 1.008 Z: 7 7.499 1.873 0.611 0.504 1.000 0.500 CB 1.010 7 residues pruned to eliminate duplicates Z: 11 18.148 1.907 0.934 0.797 1.000 1.000 CB 1.199 11 residues pruned to eliminate duplicates Z: 16 27.622 2.305 0.498 0.883 0.933 0.800 CA 1.600 16 residues pruned to eliminate duplicates Z: 15 33.245 2.283 0.635 0.940 1.000 1.000 CA 1.654 15 residues pruned to eliminate duplicates Z: 13 26.673 2.151 0.683 0.874 1.000 0.750 CB 1.548 13 residues pruned to eliminate duplicates Z: 6 7.226 1.749 0.331 0.641 1.000 0.800 C 1.216 6 residues pruned to eliminate duplicates Z: 11 10.385 2.017 0.511 0.485 0.900 0.700 CB 1.215 11 residues pruned to eliminate duplicates Z: 14 4.771 1.543 0.497 0.282 0.692 0.462 CB 1.059 14 residues pruned to eliminate duplicates Z: 94 52.317 2.222 0.663 0.542 0.925 0.688 CB 1.524 94 residues pruned to eliminate duplicates Z: 42 31.451 2.224 0.669 0.479 0.927 0.561 CB 1.459 42 residues pruned to eliminate duplicates Z: 87 54.849 2.280 0.755 0.509 0.884 0.674 CB 1.659 87 residues pruned to eliminate duplicates Z: 15 14.934 1.700 0.599 0.890 1.000 0.929 CB 1.056 15 residues pruned to eliminate duplicates Z: 32 41.255 2.127 0.974 0.632 0.968 0.774 CB 1.610 33 residues pruned to eliminate duplicates Z: 10 3.435 1.478 0.199 0.474 0.889 0.556 CB 0.747 Z: 78 52.196 2.225 0.782 0.567 0.922 0.662 CB 1.525 78 residues pruned to eliminate duplicates Z: 13 23.622 2.136 0.568 0.841 1.000 0.667 CB 1.518 13 residues pruned to eliminate duplicates Z: 49 39.063 2.081 0.929 0.531 0.938 0.625 CB 1.452 49 residues pruned to eliminate duplicates Z: 11 11.044 2.069 0.538 0.494 0.900 0.900 CB 1.227 11 residues pruned to eliminate duplicates Z: 49 39.049 2.267 0.731 0.490 0.917 0.646 CB 1.583 49 residues pruned to eliminate duplicates Z: 44 40.832 2.309 0.641 0.562 0.930 0.651 CB 1.663 44 residues pruned to eliminate duplicates Z: 29 35.044 2.168 0.730 0.574 1.000 0.714 CA 1.644 29 residues pruned to eliminate duplicates Z: 50 38.335 2.187 0.757 0.555 0.918 0.735 CB 1.472 50 residues pruned to eliminate duplicates Z: 14 23.544 2.189 0.834 0.853 0.846 0.692 CB 1.421 14 residues pruned to eliminate duplicates Z: 16 25.375 2.174 0.414 0.941 1.000 1.000 CB 1.479 16 residues pruned to eliminate duplicates 6 0.641 1.229 -0.102 0.510 0.600 0.600 C 0.428 ? Z: 17 8.246 1.931 0.288 0.340 0.875 0.562 CB 1.128 17 residues pruned to eliminate duplicates Z: 8 3.329 1.674 0.753 0.285 0.571 0.286 CB 0.956 Z: 6 2.926 1.420 0.144 0.525 0.800 0.600 CB 0.982 Z: 15 24.138 1.866 0.953 0.880 1.000 0.786 CB 1.283 15 residues pruned to eliminate duplicates Z: 22 27.075 2.122 1.054 0.436 0.952 0.714 CB 1.521 22 residues pruned to eliminate duplicates Z: 13 7.178 1.621 0.284 0.537 1.000 0.667 CB 0.961 13 residues pruned to eliminate duplicates Z: 17 19.852 2.018 0.766 0.445 0.938 0.625 C 1.573 17 residues pruned to eliminate duplicates Z: 15 24.868 2.208 0.735 0.937 0.929 0.857 CB 1.300 15 residues pruned to eliminate duplicates Z: 9 5.119 1.767 0.507 0.301 0.750 0.375 CB 1.132 9 residues pruned to eliminate duplicates Z: 9 17.983 2.253 1.086 0.647 0.875 0.875 CA 1.348 9 residues pruned to eliminate duplicates Z: 14 18.296 1.926 0.484 0.864 1.000 0.923 CB 1.302 14 residues pruned to eliminate duplicates Z: 88 46.975 2.210 0.744 0.493 0.908 0.563 CB 1.449 88 residues pruned to eliminate duplicates 6 1.737 1.430 0.924 0.297 0.400 0.400 CB 0.886 ? Z: 11 19.381 2.039 0.670 0.786 0.900 0.800 CA 1.555 11 residues pruned to eliminate duplicates Z: 6 6.946 1.680 0.341 0.701 1.000 0.600 CB 1.147 6 residues pruned to eliminate duplicates Z: 49 43.899 2.293 0.857 0.503 0.896 0.688 CB 1.656 49 residues pruned to eliminate duplicates 8 1.730 1.389 0.404 0.211 0.571 0.429 CB 0.825 ? Z: 18 19.851 1.991 0.265 0.904 0.941 0.706 CB 1.446 18 residues pruned to eliminate duplicates Z: 7 4.621 1.300 0.652 0.373 1.000 0.500 O 1.006 7 residues pruned to eliminate duplicates Z: 13 35.006 2.359 1.048 0.808 0.917 0.750 CA 1.745 13 residues pruned to eliminate duplicates Z: 13 21.511 1.851 1.014 0.876 1.000 0.417 CB 1.211 13 residues pruned to eliminate duplicates Z: 49 38.565 2.068 0.859 0.540 0.917 0.604 CB 1.519 49 residues pruned to eliminate duplicates Z: 6 3.682 1.691 0.178 0.607 1.000 1.000 CB 0.746 Z: 80 54.788 2.273 0.701 0.535 0.911 0.595 CB 1.690 80 residues pruned to eliminate duplicates Z: 13 19.916 1.826 0.705 0.922 1.000 1.000 CB 1.298 13 residues pruned to eliminate duplicates Z: 8 17.730 1.847 0.911 0.796 1.000 1.000 CB 1.465 8 residues pruned to eliminate duplicates Z: 13 8.205 1.639 0.602 0.627 0.917 0.750 CB 0.873 Z: 14 7.123 1.752 0.288 0.442 0.846 0.538 CB 1.098 14 residues pruned to eliminate duplicates Z: 9 3.193 1.538 0.270 0.271 0.625 0.375 CB 1.199 9 residues pruned to eliminate duplicates Z: 16 26.058 2.155 0.465 0.915 1.000 0.733 CB 1.506 16 residues pruned to eliminate duplicates Z: 24 27.492 2.161 0.763 0.599 0.870 0.565 CA 1.574 24 residues pruned to eliminate duplicates Z: 76 50.154 2.197 0.799 0.508 0.893 0.573 CB 1.627 76 residues pruned to eliminate duplicates Z: 16 29.604 2.150 0.608 0.944 1.000 0.733 CB 1.531 16 residues pruned to eliminate duplicates Z: 15 21.195 1.792 0.998 0.859 1.000 0.714 CB 1.164 15 residues pruned to eliminate duplicates Z: 6 9.725 2.101 0.609 0.586 1.000 1.000 CB 1.185 6 residues pruned to eliminate duplicates Z: 15 18.281 1.977 0.787 0.634 0.929 0.714 CB 1.314 15 residues pruned to eliminate duplicates Z: 35 29.917 2.263 0.755 0.445 0.853 0.647 CB 1.603 35 residues pruned to eliminate duplicates Z: 14 23.818 1.913 0.873 0.853 1.000 0.692 CB 1.363 14 residues pruned to eliminate duplicates Z: 79 48.634 2.214 0.644 0.527 0.962 0.628 CB 1.532 79 residues pruned to eliminate duplicates Z: 7 4.193 1.641 -0.057 0.704 0.833 0.833 CB 1.102 Z: 46 37.697 2.018 1.082 0.551 0.889 0.622 CB 1.431 46 residues pruned to eliminate duplicates Z: 23 22.429 2.291 0.730 0.396 0.864 0.591 CB 1.560 23 residues pruned to eliminate duplicates Z: 95 57.159 2.194 0.834 0.558 0.926 0.628 CB 1.496 95 residues pruned to eliminate duplicates Z: 12 17.358 2.169 0.605 0.498 0.909 0.818 CA 1.656 12 residues pruned to eliminate duplicates Z: 10 3.017 1.547 0.167 0.397 0.889 0.444 CB 0.699 Z: 71 43.035 2.229 0.688 0.512 0.929 0.571 CB 1.455 71 residues pruned to eliminate duplicates Z: 24 21.296 1.972 0.683 0.634 0.913 0.696 CB 1.291 24 residues pruned to eliminate duplicates Z: 48 34.339 2.022 0.853 0.548 0.915 0.745 CB 1.394 48 residues pruned to eliminate duplicates Z: 37 32.253 2.196 0.811 0.447 0.889 0.639 CB 1.606 37 residues pruned to eliminate duplicates Z: 9 4.537 1.518 0.881 0.575 0.750 0.750 CB 0.696 Z: 6 4.349 1.700 0.242 0.817 1.000 0.800 N 0.700 Z: 43 37.696 2.203 0.704 0.608 0.881 0.738 CA 1.588 43 residues pruned to eliminate duplicates Z: 23 25.118 2.272 0.629 0.490 0.909 0.591 CB 1.609 23 residues pruned to eliminate duplicates Z: 8 11.567 2.073 0.466 0.782 1.000 0.857 CB 1.122 9 residues pruned to eliminate duplicates Z: 63 36.025 2.155 0.698 0.480 0.919 0.597 CB 1.387 63 residues pruned to eliminate duplicates Z: 15 13.765 1.954 0.459 0.531 1.000 0.643 CB 1.252 15 residues pruned to eliminate duplicates Z: 14 25.319 2.162 0.813 0.831 0.846 0.846 CB 1.590 14 residues pruned to eliminate duplicates Z: 56 44.249 2.273 0.639 0.518 0.909 0.655 CA 1.731 56 residues pruned to eliminate duplicates Z: 10 16.816 2.174 0.853 0.547 0.889 0.889 CB 1.496 10 residues pruned to eliminate duplicates Z: 34 39.185 2.122 0.975 0.584 0.970 0.545 CB 1.549 34 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 3.180 1.580 0.369 0.332 0.800 0.800 CA 0.988 6 residues pruned to eliminate duplicates Z: 35 32.334 2.129 0.698 0.582 0.941 0.794 CB 1.506 35 residues pruned to eliminate duplicates Z: 35 35.388 2.094 0.744 0.584 0.971 0.676 CB 1.580 35 residues pruned to eliminate duplicates Z: 94 62.630 2.242 0.759 0.563 0.935 0.667 CB 1.657 94 residues pruned to eliminate duplicates Z: 94 62.169 2.234 0.788 0.562 0.925 0.591 CB 1.643 94 residues pruned to eliminate duplicates Z: 92 54.478 2.192 0.706 0.538 0.945 0.648 CB 1.556 92 residues pruned to eliminate duplicates Z: 95 60.748 2.214 0.728 0.557 0.957 0.723 CB 1.619 95 residues pruned to eliminate duplicates Z: 56 43.994 2.156 0.823 0.535 0.909 0.655 CB 1.604 56 residues pruned to eliminate duplicates Z: 37 34.663 2.124 0.791 0.543 0.944 0.778 CB 1.541 37 residues pruned to eliminate duplicates Z: 94 62.421 2.235 0.779 0.553 0.957 0.699 CB 1.616 94 residues pruned to eliminate duplicates Z: 110 61.966 2.249 0.748 0.544 0.908 0.651 CB 1.591 109 residues pruned to eliminate duplicates Z: 7 10.443 1.930 0.772 0.455 1.000 0.333 CB 1.306 7 residues pruned to eliminate duplicates Z: 94 64.112 2.236 0.797 0.550 0.946 0.656 CB 1.665 94 residues pruned to eliminate duplicates Z: 6 6.579 1.744 0.613 0.409 1.000 0.800 CA 1.150 6 residues pruned to eliminate duplicates Z: 94 62.071 2.244 0.824 0.553 0.925 0.645 CB 1.614 94 residues pruned to eliminate duplicates Z: 93 65.082 2.245 0.874 0.551 0.935 0.663 CB 1.641 93 residues pruned to eliminate duplicates Z: 13 28.193 1.988 1.143 0.889 1.000 0.917 CB 1.375 13 residues pruned to eliminate duplicates Z: 54 44.079 2.191 0.799 0.510 0.925 0.623 CB 1.644 54 residues pruned to eliminate duplicates Z: 94 67.115 2.241 0.819 0.567 0.957 0.731 CB 1.672 94 residues pruned to eliminate duplicates Z: 10 21.586 1.969 0.989 0.834 1.000 0.778 CB 1.378 10 residues pruned to eliminate duplicates Z: 94 59.407 2.225 0.749 0.574 0.925 0.624 CB 1.594 94 residues pruned to eliminate duplicates Z: 35 36.329 2.096 0.877 0.578 0.941 0.618 CB 1.561 35 residues pruned to eliminate duplicates Z: 63 44.128 2.161 0.907 0.503 0.871 0.661 CB 1.556 63 residues pruned to eliminate duplicates Z: 79 56.027 2.228 0.832 0.542 0.923 0.692 CB 1.615 79 residues pruned to eliminate duplicates Z: 16 23.381 1.746 1.051 0.853 1.000 0.667 CB 1.246 16 residues pruned to eliminate duplicates Z: 53 43.212 2.177 0.849 0.499 0.904 0.635 CB 1.649 53 residues pruned to eliminate duplicates Z: 25 26.399 2.086 0.875 0.550 0.875 0.583 CB 1.500 25 residues pruned to eliminate duplicates Z: 94 64.397 2.219 0.883 0.544 0.935 0.677 CB 1.636 94 residues pruned to eliminate duplicates Z: 93 64.837 2.254 0.821 0.565 0.946 0.620 CB 1.635 93 residues pruned to eliminate duplicates Z: 95 63.455 2.224 0.838 0.556 0.936 0.628 CB 1.620 95 residues pruned to eliminate duplicates Z: 94 61.151 2.208 0.764 0.552 0.957 0.613 CB 1.618 94 residues pruned to eliminate duplicates Z: 94 61.424 2.234 0.765 0.561 0.946 0.624 CB 1.609 94 residues pruned to eliminate duplicates Z: 47 40.684 2.131 0.870 0.525 0.935 0.717 CB 1.571 47 residues pruned to eliminate duplicates Z: 65 48.340 2.234 0.753 0.514 0.938 0.609 CB 1.623 65 residues pruned to eliminate duplicates Z: 61 51.290 2.275 0.685 0.571 0.950 0.567 CB 1.698 61 residues pruned to eliminate duplicates Z: 19 20.782 2.114 0.883 0.468 0.833 0.722 CB 1.525 19 residues pruned to eliminate duplicates Z: 61 49.767 2.282 0.735 0.553 0.933 0.617 CB 1.651 61 residues pruned to eliminate duplicates Z: 110 65.849 2.235 0.839 0.547 0.927 0.615 CB 1.582 110 residues pruned to eliminate duplicates Z: 6 5.045 1.628 0.547 0.465 1.000 0.600 C 0.928 Z: 7 7.765 1.811 1.041 0.428 0.833 0.667 C 1.108 7 residues pruned to eliminate duplicates Z: 70 49.715 2.215 0.767 0.539 0.928 0.667 CB 1.587 70 residues pruned to eliminate duplicates Z: 62 50.788 2.293 0.751 0.530 0.934 0.656 CB 1.683 62 residues pruned to eliminate duplicates Z: 63 46.631 2.243 0.704 0.523 0.919 0.613 CB 1.647 63 residues pruned to eliminate duplicates Z: 65 48.138 2.271 0.735 0.511 0.953 0.609 CB 1.585 65 residues pruned to eliminate duplicates Z: 94 66.547 2.239 0.896 0.558 0.946 0.624 CB 1.624 94 residues pruned to eliminate duplicates Z: 81 49.152 2.206 0.718 0.507 0.900 0.588 CB 1.601 81 residues pruned to eliminate duplicates Z: 56 40.233 2.157 0.767 0.506 0.891 0.618 CB 1.588 56 residues pruned to eliminate duplicates Z: 94 59.044 2.219 0.785 0.539 0.914 0.656 CB 1.628 94 residues pruned to eliminate duplicates Z: 61 52.353 2.289 0.804 0.559 0.917 0.650 CB 1.685 61 residues pruned to eliminate duplicates Z: 62 48.746 2.275 0.732 0.548 0.918 0.689 CB 1.648 62 residues pruned to eliminate duplicates Z: 49 40.452 2.215 0.681 0.555 0.917 0.625 CB 1.622 49 residues pruned to eliminate duplicates Z: 65 45.923 2.244 0.718 0.527 0.922 0.625 CB 1.573 65 residues pruned to eliminate duplicates Z: 62 44.367 2.275 0.647 0.522 0.902 0.623 CB 1.645 62 residues pruned to eliminate duplicates Z: 57 50.844 2.299 0.836 0.531 0.929 0.714 CB 1.682 57 residues pruned to eliminate duplicates Z: 60 53.145 2.313 0.716 0.567 0.966 0.695 CB 1.692 60 residues pruned to eliminate duplicates Z: 87 51.030 2.219 0.832 0.522 0.872 0.605 CB 1.520 87 residues pruned to eliminate duplicates Z: 64 47.319 2.276 0.761 0.514 0.905 0.603 CB 1.620 64 residues pruned to eliminate duplicates Z: 76 52.960 2.290 0.799 0.530 0.907 0.627 CB 1.590 76 residues pruned to eliminate duplicates Z: 61 50.300 2.263 0.856 0.539 0.900 0.650 CB 1.653 61 residues pruned to eliminate duplicates Z: 42 39.189 2.274 0.699 0.596 0.878 0.634 CB 1.646 42 residues pruned to eliminate duplicates Z: 60 54.696 2.310 0.812 0.568 0.949 0.627 CB 1.679 60 residues pruned to eliminate duplicates Z: 61 49.237 2.280 0.777 0.547 0.900 0.633 CB 1.665 61 residues pruned to eliminate duplicates Z: 61 52.233 2.273 0.817 0.549 0.950 0.717 CB 1.638 61 residues pruned to eliminate duplicates Z: 83 54.336 2.194 0.807 0.526 0.927 0.561 CB 1.592 83 residues pruned to eliminate duplicates Z: 81 52.211 2.198 0.773 0.521 0.938 0.625 CB 1.565 81 residues pruned to eliminate duplicates Z: 93 63.244 2.223 0.823 0.549 0.946 0.630 CB 1.639 93 residues pruned to eliminate duplicates Z: 61 51.932 2.293 0.788 0.562 0.950 0.533 CB 1.621 61 residues pruned to eliminate duplicates Z: 94 59.221 2.231 0.796 0.552 0.914 0.559 CB 1.594 94 residues pruned to eliminate duplicates Z: 60 50.305 2.299 0.781 0.563 0.898 0.610 CB 1.675 60 residues pruned to eliminate duplicates Z: 60 50.608 2.292 0.754 0.554 0.949 0.593 CB 1.639 60 residues pruned to eliminate duplicates Z: 94 63.733 2.220 0.902 0.562 0.925 0.570 CB 1.594 100 residues pruned to eliminate duplicates Z: 6 8.562 1.972 0.769 0.409 1.000 0.800 CA 1.207 6 residues pruned to eliminate duplicates Z: 93 61.893 2.244 0.819 0.545 0.946 0.674 CB 1.600 93 residues pruned to eliminate duplicates Z: 61 50.331 2.301 0.746 0.545 0.933 0.550 CB 1.659 61 residues pruned to eliminate duplicates Z: 94 65.179 2.210 0.861 0.573 0.957 0.624 CB 1.600 94 residues pruned to eliminate duplicates Z: 48 38.834 2.230 0.749 0.552 0.915 0.660 CB 1.509 48 residues pruned to eliminate duplicates Z: 48 41.133 2.254 0.611 0.568 0.936 0.660 CB 1.651 48 residues pruned to eliminate duplicates Z: 60 51.323 2.312 0.796 0.564 0.915 0.593 CB 1.652 60 residues pruned to eliminate duplicates Z: 60 53.743 2.296 0.807 0.563 0.949 0.695 CB 1.672 60 residues pruned to eliminate duplicates Z: 61 49.142 2.271 0.786 0.570 0.900 0.683 CB 1.625 61 residues pruned to eliminate duplicates Z: 48 36.633 2.233 0.694 0.512 0.936 0.681 CB 1.492 48 residues pruned to eliminate duplicates Z: 61 49.999 2.264 0.791 0.559 0.933 0.567 CB 1.611 61 residues pruned to eliminate duplicates Z: 16 27.719 2.218 0.934 0.649 0.867 0.667 CB 1.675 16 residues pruned to eliminate duplicates Z: 42 41.008 2.282 0.819 0.605 0.878 0.756 CB 1.590 42 residues pruned to eliminate duplicates Z: 47 41.225 2.212 0.751 0.542 0.935 0.609 CB 1.612 47 residues pruned to eliminate duplicates Z: 65 45.047 2.251 0.717 0.522 0.906 0.578 CB 1.572 65 residues pruned to eliminate duplicates Z: 60 52.709 2.317 0.793 0.572 0.949 0.644 CB 1.623 60 residues pruned to eliminate duplicates Z: 50 35.734 2.169 0.655 0.530 0.918 0.653 CB 1.504 50 residues pruned to eliminate duplicates Z: 60 53.328 2.308 0.857 0.560 0.932 0.695 CB 1.639 60 residues pruned to eliminate duplicates Z: 61 46.071 2.269 0.751 0.525 0.900 0.550 CB 1.623 61 residues pruned to eliminate duplicates Z: 19 20.364 2.119 0.965 0.498 0.889 0.611 CB 1.300 19 residues pruned to eliminate duplicates Z: 19 15.293 2.131 0.813 0.484 0.778 0.556 CB 1.219 19 residues pruned to eliminate duplicates Z: 29 22.443 2.122 0.800 0.473 0.929 0.679 CB 1.229 29 residues pruned to eliminate duplicates Z: 24 16.991 1.967 0.785 0.430 0.913 0.565 CB 1.188 24 residues pruned to eliminate duplicates Z: 18 21.100 2.139 1.141 0.496 0.882 0.647 CB 1.272 18 residues pruned to eliminate duplicates Z: 77 54.132 2.271 0.857 0.554 0.895 0.632 CB 1.561 77 residues pruned to eliminate duplicates Z: 19 17.783 2.097 0.745 0.483 0.889 0.667 CB 1.311 19 residues pruned to eliminate duplicates Z: 17 22.215 2.211 1.039 0.532 0.938 0.750 CB 1.273 17 residues pruned to eliminate duplicates Z: 19 18.744 2.117 0.797 0.490 0.944 0.667 CB 1.242 19 residues pruned to eliminate duplicates Z: 77 55.619 2.264 0.815 0.555 0.961 0.724 CB 1.532 77 residues pruned to eliminate duplicates Z: 18 17.949 2.107 0.898 0.487 0.941 0.588 CB 1.172 18 residues pruned to eliminate duplicates Z: 19 17.546 2.099 0.862 0.472 0.833 0.611 CB 1.306 19 residues pruned to eliminate duplicates Z: 28 18.820 2.098 0.662 0.412 0.852 0.593 CB 1.337 28 residues pruned to eliminate duplicates Z: 20 10.744 1.897 0.472 0.285 0.895 0.526 CB 1.257 20 residues pruned to eliminate duplicates Z: 118 58.507 2.180 0.797 0.506 0.915 0.632 CB 1.501 118 residues pruned to eliminate duplicates Z: 29 23.697 2.108 0.762 0.459 0.964 0.643 CB 1.303 29 residues pruned to eliminate duplicates Z: 29 19.268 2.081 0.699 0.457 0.857 0.679 CB 1.256 29 residues pruned to eliminate duplicates Z: 29 20.710 2.115 0.843 0.470 0.857 0.643 CB 1.208 29 residues pruned to eliminate duplicates Z: 14 8.963 2.050 0.625 0.215 0.769 0.538 CB 1.356 14 residues pruned to eliminate duplicates Z: 26 16.838 2.081 0.727 0.417 0.840 0.560 CB 1.216 26 residues pruned to eliminate duplicates Z: 10 3.902 1.651 0.287 0.442 0.778 0.556 CB 0.835 10 residues pruned to eliminate duplicates Z: 9 5.325 1.479 0.646 0.470 0.875 0.750 CB 0.911 9 residues pruned to eliminate duplicates Z: 19 9.003 1.694 0.527 0.470 0.778 0.611 CB 1.088 19 residues pruned to eliminate duplicates Z: 11 6.702 1.649 0.402 0.469 0.900 0.500 C 1.051 11 residues pruned to eliminate duplicates Z: 13 15.325 2.023 0.670 0.633 0.917 0.833 CB 1.261 13 residues pruned to eliminate duplicates Z: 9 22.257 2.025 1.093 0.809 1.000 1.000 CB 1.418 9 residues pruned to eliminate duplicates Z: 15 19.546 1.966 0.824 0.588 0.929 0.786 CB 1.442 15 residues pruned to eliminate duplicates Z: 12 17.642 1.950 0.924 0.728 0.909 0.727 CB 1.270 12 residues pruned to eliminate duplicates Z: 10 13.351 1.819 1.017 0.747 0.889 0.778 CB 1.094 10 residues pruned to eliminate duplicates Z: 10 21.725 2.021 1.121 0.829 0.889 0.889 CB 1.430 10 residues pruned to eliminate duplicates Z: 9 22.804 2.111 1.060 0.825 1.000 1.000 CB 1.399 9 residues pruned to eliminate duplicates Z: 15 15.840 1.862 0.709 0.439 0.929 0.571 CB 1.525 15 residues pruned to eliminate duplicates Z: 50 42.978 2.211 0.793 0.556 0.939 0.755 CB 1.562 50 residues pruned to eliminate duplicates Z: 6 3.841 1.534 0.290 0.348 1.000 0.800 CA 1.023 6 residues pruned to eliminate duplicates Z: 93 61.815 2.284 0.808 0.553 0.935 0.674 CB 1.586 93 residues pruned to eliminate duplicates Z: 37 23.963 2.039 0.583 0.537 0.889 0.750 CB 1.343 37 residues pruned to eliminate duplicates Z: 95 56.970 2.234 0.756 0.532 0.947 0.681 CB 1.534 95 residues pruned to eliminate duplicates Z: 50 42.205 2.158 0.900 0.554 0.939 0.735 CB 1.487 50 residues pruned to eliminate duplicates Z: 92 59.855 2.282 0.744 0.564 0.945 0.681 CB 1.568 92 residues pruned to eliminate duplicates Z: 13 18.244 1.917 0.646 0.838 1.000 0.833 CB 1.248 13 residues pruned to eliminate duplicates Z: 92 60.825 2.292 0.831 0.552 0.912 0.681 CB 1.582 92 residues pruned to eliminate duplicates Z: 81 48.604 2.214 0.707 0.525 0.900 0.675 CB 1.557 81 residues pruned to eliminate duplicates Z: 50 37.156 2.197 0.761 0.531 0.898 0.653 CB 1.482 50 residues pruned to eliminate duplicates Z: 46 39.250 2.199 0.924 0.530 0.911 0.689 CB 1.474 46 residues pruned to eliminate duplicates Z: 93 54.642 2.255 0.694 0.534 0.924 0.598 CB 1.561 93 residues pruned to eliminate duplicates Z: 69 52.733 2.232 0.753 0.594 0.956 0.676 CB 1.563 69 residues pruned to eliminate duplicates Z: 46 40.012 2.143 0.871 0.536 0.956 0.711 CB 1.502 46 residues pruned to eliminate duplicates Z: 49 43.111 2.194 0.924 0.552 0.958 0.750 CB 1.462 49 residues pruned to eliminate duplicates Z: 95 58.153 2.250 0.771 0.531 0.947 0.681 CB 1.542 95 residues pruned to eliminate duplicates Z: 47 36.811 2.140 0.894 0.532 0.891 0.739 CB 1.456 47 residues pruned to eliminate duplicates Z: 39 25.314 2.015 0.784 0.513 0.895 0.684 CB 1.261 39 residues pruned to eliminate duplicates Z: 95 61.195 2.239 0.832 0.549 0.936 0.702 CB 1.567 95 residues pruned to eliminate duplicates Z: 64 52.057 2.324 0.784 0.507 0.952 0.619 CB 1.649 64 residues pruned to eliminate duplicates Z: 99 54.916 2.218 0.804 0.535 0.888 0.653 CB 1.508 99 residues pruned to eliminate duplicates Z: 47 38.477 2.092 0.925 0.552 0.935 0.717 CB 1.432 47 residues pruned to eliminate duplicates Z: 93 60.670 2.273 0.790 0.554 0.946 0.685 CB 1.559 93 residues pruned to eliminate duplicates Z: 94 54.654 2.222 0.651 0.546 0.957 0.624 CB 1.543 94 residues pruned to eliminate duplicates Z: 62 50.937 2.331 0.758 0.524 0.934 0.623 CB 1.663 62 residues pruned to eliminate duplicates Z: 23 17.160 2.000 0.964 0.300 0.864 0.591 CB 1.349 23 residues pruned to eliminate duplicates Z: 64 47.116 2.332 0.799 0.488 0.889 0.571 CB 1.611 64 residues pruned to eliminate duplicates Z: 96 60.549 2.220 0.785 0.549 0.958 0.705 CB 1.559 96 residues pruned to eliminate duplicates Z: 93 47.347 2.117 0.767 0.468 0.902 0.652 CB 1.511 93 residues pruned to eliminate duplicates Z: 55 31.973 2.138 0.660 0.430 0.907 0.611 CB 1.453 55 residues pruned to eliminate duplicates Z: 61 47.676 2.314 0.659 0.511 0.933 0.617 CB 1.698 61 residues pruned to eliminate duplicates Z: 94 56.289 2.243 0.751 0.540 0.925 0.591 CB 1.545 94 residues pruned to eliminate duplicates Z: 62 46.353 2.312 0.610 0.516 0.934 0.607 CB 1.679 62 residues pruned to eliminate duplicates Z: 22 25.818 2.229 0.875 0.394 0.905 0.571 CB 1.668 22 residues pruned to eliminate duplicates Z: 25 18.809 2.104 0.746 0.344 0.792 0.500 CB 1.564 25 residues pruned to eliminate duplicates Z: 51 34.359 2.120 0.811 0.486 0.900 0.640 CB 1.426 51 residues pruned to eliminate duplicates Z: 93 57.418 2.268 0.819 0.543 0.891 0.707 CB 1.561 93 residues pruned to eliminate duplicates Z: 65 47.748 2.291 0.736 0.489 0.938 0.594 CB 1.618 65 residues pruned to eliminate duplicates Z: 48 39.616 2.281 0.635 0.517 0.979 0.553 CB 1.557 48 residues pruned to eliminate duplicates Z: 48 41.483 2.307 0.670 0.532 0.957 0.617 CB 1.589 48 residues pruned to eliminate duplicates Z: 52 38.181 2.240 0.629 0.516 0.941 0.627 CB 1.532 52 residues pruned to eliminate duplicates Z: 49 40.242 2.302 0.648 0.518 0.958 0.604 CB 1.570 49 residues pruned to eliminate duplicates Z: 52 35.646 2.231 0.584 0.455 0.882 0.588 CB 1.677 52 residues pruned to eliminate duplicates Z: 92 51.282 2.222 0.779 0.494 0.901 0.604 CB 1.519 92 residues pruned to eliminate duplicates Z: 65 49.283 2.299 0.788 0.518 0.922 0.672 CB 1.597 65 residues pruned to eliminate duplicates Z: 65 45.267 2.259 0.779 0.481 0.906 0.641 CB 1.584 65 residues pruned to eliminate duplicates Z: 92 54.242 2.251 0.754 0.532 0.912 0.593 CB 1.531 92 residues pruned to eliminate duplicates Z: 94 51.636 2.222 0.724 0.525 0.914 0.656 CB 1.492 94 residues pruned to eliminate duplicates Z: 94 57.009 2.239 0.796 0.525 0.935 0.624 CB 1.533 94 residues pruned to eliminate duplicates Z: 44 40.437 2.321 0.604 0.568 0.930 0.674 CB 1.667 44 residues pruned to eliminate duplicates Z: 93 61.797 2.266 0.831 0.546 0.957 0.641 CB 1.552 93 residues pruned to eliminate duplicates Z: 45 39.398 2.280 0.648 0.554 0.955 0.500 CB 1.571 45 residues pruned to eliminate duplicates Z: 64 48.502 2.333 0.766 0.526 0.905 0.635 CB 1.597 64 residues pruned to eliminate duplicates Z: 70 52.802 2.303 0.846 0.531 0.913 0.667 CB 1.589 70 residues pruned to eliminate duplicates Z: 64 49.249 2.307 0.799 0.497 0.921 0.683 CB 1.630 64 residues pruned to eliminate duplicates Z: 94 59.127 2.255 0.816 0.544 0.914 0.656 CB 1.570 94 residues pruned to eliminate duplicates Z: 65 47.491 2.270 0.798 0.506 0.906 0.578 CB 1.595 65 residues pruned to eliminate duplicates Z: 46 37.014 2.264 0.569 0.550 0.933 0.578 CB 1.585 46 residues pruned to eliminate duplicates Z: 43 41.257 2.322 0.717 0.575 0.929 0.571 CB 1.599 43 residues pruned to eliminate duplicates Z: 65 45.893 2.254 0.718 0.502 0.906 0.609 CB 1.631 65 residues pruned to eliminate duplicates Z: 44 40.510 2.322 0.635 0.592 0.907 0.628 CB 1.644 44 residues pruned to eliminate duplicates Z: 59 47.923 2.316 0.735 0.553 0.931 0.534 CB 1.597 59 residues pruned to eliminate duplicates Z: 50 38.357 2.294 0.631 0.525 0.857 0.510 CB 1.668 50 residues pruned to eliminate duplicates Z: 61 50.004 2.329 0.829 0.537 0.900 0.617 CB 1.625 61 residues pruned to eliminate duplicates Z: 44 42.256 2.298 0.764 0.560 0.930 0.605 CB 1.613 44 residues pruned to eliminate duplicates Z: 51 40.075 2.253 0.783 0.515 0.900 0.660 CB 1.544 51 residues pruned to eliminate duplicates Z: 44 42.619 2.277 0.795 0.584 0.953 0.674 CB 1.538 44 residues pruned to eliminate duplicates Z: 65 48.131 2.268 0.780 0.525 0.891 0.656 CB 1.633 65 residues pruned to eliminate duplicates Z: 45 41.087 2.272 0.711 0.564 0.932 0.568 CB 1.607 45 residues pruned to eliminate duplicates Z: 13 32.369 2.482 0.863 0.762 0.917 0.750 CB 1.747 13 residues pruned to eliminate duplicates Z: 44 38.714 2.269 0.793 0.567 0.884 0.674 CB 1.539 44 residues pruned to eliminate duplicates Z: 64 47.824 2.298 0.787 0.517 0.937 0.667 CB 1.541 64 residues pruned to eliminate duplicates Z: 25 25.221 2.233 0.722 0.487 0.917 0.542 CB 1.480 25 residues pruned to eliminate duplicates Z: 49 39.607 2.270 0.714 0.531 0.917 0.625 CB 1.555 49 residues pruned to eliminate duplicates Z: 43 42.399 2.306 0.758 0.581 0.952 0.667 CB 1.568 43 residues pruned to eliminate duplicates Z: 50 40.327 2.268 0.718 0.539 0.918 0.592 CB 1.549 50 residues pruned to eliminate duplicates Z: 95 56.777 2.226 0.821 0.537 0.915 0.649 CB 1.523 95 residues pruned to eliminate duplicates Z: 61 50.526 2.325 0.829 0.530 0.933 0.667 CB 1.596 61 residues pruned to eliminate duplicates Z: 9 17.713 2.181 0.845 0.637 0.875 0.750 CB 1.565 9 residues pruned to eliminate duplicates Z: 29 24.605 2.170 0.909 0.496 0.857 0.750 CB 1.315 29 residues pruned to eliminate duplicates Z: 26 18.536 2.066 0.864 0.420 0.920 0.680 CB 1.138 26 residues pruned to eliminate duplicates Z: 31 23.965 2.083 0.913 0.509 0.900 0.733 CB 1.209 31 residues pruned to eliminate duplicates Z: 121 62.318 2.238 0.798 0.533 0.917 0.700 CB 1.493 121 residues pruned to eliminate duplicates Z: 29 28.629 2.161 1.076 0.506 0.857 0.679 CB 1.398 29 residues pruned to eliminate duplicates Z: 67 38.802 2.153 0.823 0.424 0.924 0.576 CB 1.424 67 residues pruned to eliminate duplicates Z: 87 52.016 2.269 0.812 0.517 0.895 0.674 CB 1.499 87 residues pruned to eliminate duplicates Z: 20 14.404 2.019 0.677 0.405 0.895 0.526 CB 1.205 20 residues pruned to eliminate duplicates Z: 23 21.754 2.168 0.789 0.479 0.909 0.727 CB 1.344 23 residues pruned to eliminate duplicates Z: 35 18.101 2.001 0.942 0.332 0.765 0.559 CB 1.256 34 residues pruned to eliminate duplicates Z: 6 6.146 1.865 0.444 0.476 0.800 0.800 CB 1.308 6 residues pruned to eliminate duplicates Z: 65 48.908 2.253 0.814 0.557 0.938 0.672 CB 1.510 65 residues pruned to eliminate duplicates Z: 67 45.643 2.194 0.800 0.526 0.970 0.606 CB 1.430 67 residues pruned to eliminate duplicates Z: 23 23.705 2.056 0.907 0.477 0.955 0.636 CB 1.383 23 residues pruned to eliminate duplicates Z: 114 55.521 2.190 0.786 0.509 0.912 0.681 CB 1.452 114 residues pruned to eliminate duplicates Z: 7 2.664 1.415 0.258 0.252 0.833 0.667 CA 0.975 7 residues pruned to eliminate duplicates Z: 90 54.175 2.270 0.835 0.505 0.899 0.674 CB 1.526 90 residues pruned to eliminate duplicates Z: 18 20.055 2.235 0.890 0.446 0.882 0.647 CB 1.380 18 residues pruned to eliminate duplicates Z: 22 22.195 2.064 0.685 0.467 0.905 0.667 CB 1.592 25 residues pruned to eliminate duplicates Z: 7 9.514 1.993 0.867 0.439 0.667 0.167 N 1.667 7 residues pruned to eliminate duplicates Z: 17 17.306 2.189 0.843 0.490 0.938 0.688 CB 1.156 17 residues pruned to eliminate duplicates Z: 44 28.069 2.072 0.797 0.470 0.930 0.721 CB 1.275 44 residues pruned to eliminate duplicates Z: 21 19.422 1.982 0.751 0.469 0.900 0.750 CB 1.434 21 residues pruned to eliminate duplicates Z: 43 30.841 2.056 0.936 0.412 0.857 0.595 CB 1.529 43 residues pruned to eliminate duplicates Z: 99 47.968 2.154 0.785 0.428 0.918 0.561 CB 1.479 99 residues pruned to eliminate duplicates Z: 16 11.011 1.803 0.396 0.387 0.867 0.533 CB 1.469 16 residues pruned to eliminate duplicates Z: 8 6.978 1.849 0.470 0.483 0.857 0.857 CB 1.152 8 residues pruned to eliminate duplicates Z: 23 14.968 1.917 0.533 0.396 0.864 0.591 CB 1.403 23 residues pruned to eliminate duplicates Z: 16 14.464 1.836 0.731 0.497 0.933 0.800 CB 1.264 16 residues pruned to eliminate duplicates Z: 16 16.992 1.848 0.782 0.549 1.000 0.800 CB 1.270 16 residues pruned to eliminate duplicates Z: 16 18.124 1.869 0.869 0.595 0.933 0.667 CB 1.310 16 residues pruned to eliminate duplicates Z: 15 18.078 2.000 0.622 0.548 1.000 0.786 CB 1.420 15 residues pruned to eliminate duplicates Z: 21 16.453 1.949 0.682 0.483 0.850 0.650 CB 1.343 21 residues pruned to eliminate duplicates Z: 10 24.333 1.959 1.227 0.750 1.000 0.889 CB 1.487 10 residues pruned to eliminate duplicates Z: 15 19.830 1.967 0.716 0.578 0.929 0.714 CA 1.568 15 residues pruned to eliminate duplicates Z: 16 15.942 1.898 0.657 0.562 0.867 0.600 CB 1.422 16 residues pruned to eliminate duplicates Z: 81 60.061 2.329 0.754 0.523 0.938 0.663 CB 1.714 81 residues pruned to eliminate duplicates Z: 33 37.881 2.272 0.694 0.599 0.938 0.750 CB 1.689 33 residues pruned to eliminate duplicates Z: 32 42.082 2.243 0.740 0.632 0.968 0.806 CA 1.767 32 residues pruned to eliminate duplicates Z: 36 44.537 2.306 0.888 0.567 0.971 0.743 CB 1.668 36 residues pruned to eliminate duplicates Z: 35 45.045 2.330 0.825 0.582 0.971 0.824 CB 1.729 35 residues pruned to eliminate duplicates Z: 6 4.523 1.858 0.327 0.267 0.800 0.200 CB 1.336 6 residues pruned to eliminate duplicates Z: 36 37.503 2.290 0.782 0.539 0.914 0.657 CB 1.636 36 residues pruned to eliminate duplicates Z: 36 43.682 2.294 0.898 0.569 0.971 0.657 CB 1.634 36 residues pruned to eliminate duplicates Z: 97 66.689 2.277 0.823 0.541 0.917 0.656 CB 1.719 97 residues pruned to eliminate duplicates Z: 95 66.342 2.309 0.775 0.558 0.926 0.702 CB 1.705 95 residues pruned to eliminate duplicates Z: 46 55.125 2.371 0.985 0.542 0.956 0.733 CB 1.754 47 residues pruned to eliminate duplicates Z: 17 32.613 2.095 0.767 0.755 1.000 0.938 CB 1.754 17 residues pruned to eliminate duplicates Z: 95 71.260 2.329 0.805 0.563 0.947 0.691 CB 1.738 95 residues pruned to eliminate duplicates Z: 96 61.846 2.300 0.751 0.538 0.916 0.621 CB 1.659 96 residues pruned to eliminate duplicates Z: 35 47.313 2.331 0.965 0.563 0.971 0.647 CB 1.718 35 residues pruned to eliminate duplicates Z: 35 42.638 2.319 0.927 0.543 0.941 0.735 CB 1.667 35 residues pruned to eliminate duplicates Z: 36 42.560 2.274 0.972 0.546 0.943 0.771 CB 1.627 36 residues pruned to eliminate duplicates Z: 95 67.260 2.304 0.823 0.537 0.936 0.649 CB 1.701 95 residues pruned to eliminate duplicates Z: 36 39.295 2.264 0.967 0.536 0.914 0.714 CB 1.575 36 residues pruned to eliminate duplicates Z: 46 53.583 2.362 1.052 0.536 0.911 0.667 CB 1.746 46 residues pruned to eliminate duplicates Z: 38 40.989 2.244 1.024 0.523 0.919 0.649 CB 1.578 38 residues pruned to eliminate duplicates Z: 36 44.381 2.283 1.013 0.550 0.943 0.657 CB 1.649 36 residues pruned to eliminate duplicates Z: 26 34.736 2.230 1.091 0.532 0.920 0.640 CB 1.569 26 residues pruned to eliminate duplicates Z: 36 42.713 2.291 0.972 0.525 0.943 0.600 CB 1.654 36 residues pruned to eliminate duplicates Z: 110 66.767 2.298 0.826 0.526 0.908 0.633 CB 1.636 110 residues pruned to eliminate duplicates Z: 36 40.157 2.287 0.980 0.527 0.914 0.800 CB 1.597 36 residues pruned to eliminate duplicates Z: 46 54.292 2.354 0.986 0.540 0.956 0.711 CB 1.743 46 residues pruned to eliminate duplicates Z: 95 65.332 2.300 0.803 0.541 0.926 0.585 CB 1.687 95 residues pruned to eliminate duplicates Z: 80 56.338 2.286 0.780 0.465 0.924 0.671 CB 1.746 80 residues pruned to eliminate duplicates Z: 70 45.351 2.240 0.708 0.465 0.899 0.580 CB 1.645 70 residues pruned to eliminate duplicates Z: 49 37.255 2.264 0.614 0.466 0.896 0.542 CA 1.699 49 residues pruned to eliminate duplicates Z: 95 67.865 2.318 0.874 0.537 0.904 0.713 CB 1.720 95 residues pruned to eliminate duplicates Z: 82 56.592 2.307 0.725 0.504 0.914 0.691 CB 1.722 82 residues pruned to eliminate duplicates Z: 83 53.046 2.261 0.709 0.498 0.927 0.537 CB 1.639 83 residues pruned to eliminate duplicates Z: 13 22.138 2.285 0.779 0.449 0.917 0.667 CB 1.806 13 residues pruned to eliminate duplicates Z: 95 62.468 2.290 0.771 0.530 0.904 0.649 CB 1.706 95 residues pruned to eliminate duplicates Z: 62 49.920 2.283 0.782 0.545 0.918 0.656 CB 1.637 62 residues pruned to eliminate duplicates Z: 60 50.805 2.322 0.785 0.538 0.915 0.661 CA 1.680 60 residues pruned to eliminate duplicates Z: 48 47.352 2.312 0.909 0.527 0.894 0.745 CB 1.705 48 residues pruned to eliminate duplicates Z: 82 60.932 2.319 0.803 0.498 0.938 0.667 CB 1.730 82 residues pruned to eliminate duplicates Z: 95 62.109 2.323 0.717 0.530 0.915 0.606 CB 1.705 94 residues pruned to eliminate duplicates Z: 18 31.637 2.372 0.593 0.780 0.941 0.824 CA 1.685 18 residues pruned to eliminate duplicates Z: 56 37.158 2.144 0.654 0.459 0.927 0.600 CA 1.589 56 residues pruned to eliminate duplicates Z: 51 30.743 2.156 0.523 0.452 0.860 0.520 CB 1.617 51 residues pruned to eliminate duplicates Z: 95 67.317 2.314 0.793 0.541 0.936 0.649 CB 1.716 95 residues pruned to eliminate duplicates Z: 17 27.585 2.211 0.536 0.895 0.938 0.750 CA 1.552 17 residues pruned to eliminate duplicates Z: 32 22.185 2.150 0.484 0.471 0.839 0.548 CA 1.534 32 residues pruned to eliminate duplicates Z: 48 36.630 2.164 0.693 0.530 0.915 0.574 CB 1.547 48 residues pruned to eliminate duplicates Z: 95 64.238 2.307 0.792 0.524 0.915 0.670 CB 1.710 95 residues pruned to eliminate duplicates Z: 48 43.540 2.317 0.680 0.572 0.894 0.638 CB 1.704 48 residues pruned to eliminate duplicates Z: 60 53.054 2.283 0.759 0.575 0.949 0.678 CA 1.685 60 residues pruned to eliminate duplicates Z: 44 41.344 2.199 0.792 0.584 0.930 0.605 CA 1.586 44 residues pruned to eliminate duplicates Z: 77 47.575 2.224 0.802 0.502 0.855 0.592 CB 1.589 77 residues pruned to eliminate duplicates Z: 50 42.746 2.287 0.728 0.570 0.898 0.653 CA 1.608 50 residues pruned to eliminate duplicates Z: 46 42.367 2.191 0.794 0.571 0.933 0.600 CA 1.609 46 residues pruned to eliminate duplicates Z: 36 45.129 2.280 0.830 0.625 1.000 0.686 CA 1.625 36 residues pruned to eliminate duplicates Z: 62 52.990 2.252 0.879 0.554 0.967 0.574 CB 1.572 62 residues pruned to eliminate duplicates Z: 24 26.271 2.202 0.671 0.524 0.913 0.609 CA 1.593 24 residues pruned to eliminate duplicates Z: 46 36.519 2.238 0.609 0.577 0.867 0.644 CB 1.619 46 residues pruned to eliminate duplicates Z: 66 50.249 2.251 0.784 0.515 0.908 0.677 CA 1.685 66 residues pruned to eliminate duplicates Z: 95 68.272 2.298 0.856 0.547 0.936 0.660 CB 1.683 95 residues pruned to eliminate duplicates Z: 44 41.654 2.258 0.781 0.595 0.884 0.605 CA 1.633 44 residues pruned to eliminate duplicates Z: 65 52.198 2.286 0.806 0.518 0.906 0.656 CA 1.713 65 residues pruned to eliminate duplicates Z: 137 68.681 2.232 0.801 0.531 0.912 0.640 CB 1.559 228 residues pruned to eliminate duplicates Z: 6 6.257 1.890 0.410 0.353 1.000 0.800 CA 1.231 6 residues pruned to eliminate duplicates Z: 93 69.940 2.311 0.886 0.560 0.935 0.674 CB 1.689 93 residues pruned to eliminate duplicates Z: 48 43.322 2.296 0.693 0.488 0.957 0.617 CB 1.718 48 residues pruned to eliminate duplicates Z: 36 39.639 2.282 0.734 0.630 0.914 0.743 CA 1.639 36 residues pruned to eliminate duplicates Z: 42 43.074 2.247 0.754 0.606 0.951 0.707 CA 1.623 42 residues pruned to eliminate duplicates Z: 94 71.421 2.326 0.819 0.561 0.957 0.699 CB 1.724 94 residues pruned to eliminate duplicates Z: 61 53.118 2.252 0.818 0.549 0.950 0.700 CA 1.680 61 residues pruned to eliminate duplicates Z: 37 37.980 2.226 0.810 0.581 0.944 0.667 CA 1.539 37 residues pruned to eliminate duplicates Z: 37 41.723 2.224 0.815 0.616 0.972 0.694 CA 1.588 37 residues pruned to eliminate duplicates Z: 56 50.755 2.287 0.810 0.536 0.945 0.673 CB 1.689 56 residues pruned to eliminate duplicates Z: 37 43.708 2.268 0.886 0.605 0.972 0.611 CA 1.585 37 residues pruned to eliminate duplicates Z: 14 34.864 2.236 1.129 0.731 1.000 0.538 CA 1.650 14 residues pruned to eliminate duplicates Z: 96 67.241 2.301 0.813 0.532 0.947 0.600 CB 1.692 96 residues pruned to eliminate duplicates Z: 26 25.147 2.031 0.754 0.499 0.960 0.520 CB 1.472 26 residues pruned to eliminate duplicates Z: 71 48.182 2.178 0.797 0.524 0.929 0.629 CB 1.547 71 residues pruned to eliminate duplicates Z: 108 66.700 2.281 0.870 0.525 0.916 0.607 CB 1.611 108 residues pruned to eliminate duplicates Z: 71 52.698 2.211 0.806 0.533 0.929 0.686 CB 1.644 71 residues pruned to eliminate duplicates Z: 27 23.677 2.104 0.947 0.433 0.885 0.654 CB 1.374 27 residues pruned to eliminate duplicates Z: 25 24.725 2.135 0.875 0.421 0.917 0.667 CB 1.493 25 residues pruned to eliminate duplicates Z: 26 25.695 2.129 0.930 0.429 0.920 0.680 CB 1.463 26 residues pruned to eliminate duplicates Z: 6 6.871 1.821 0.910 0.344 1.000 0.200 CA 1.047 6 residues pruned to eliminate duplicates Z: 30 31.369 2.147 0.967 0.493 1.000 0.655 CB 1.389 24 residues pruned to eliminate duplicates Z: 7 8.623 1.968 0.462 0.322 1.000 0.667 CB 1.488 7 residues pruned to eliminate duplicates Z: 27 22.914 2.119 0.988 0.413 0.846 0.577 CB 1.381 27 residues pruned to eliminate duplicates Z: 16 15.888 1.949 0.963 0.402 0.933 0.600 CB 1.275 16 residues pruned to eliminate duplicates Z: 31 26.222 2.112 0.988 0.447 0.933 0.633 CB 1.291 31 residues pruned to eliminate duplicates Z: 19 16.770 2.091 0.795 0.380 0.889 0.611 CB 1.346 19 residues pruned to eliminate duplicates Z: 91 59.950 2.265 0.815 0.497 0.956 0.611 CB 1.613 91 residues pruned to eliminate duplicates Z: 34 23.955 2.071 0.972 0.445 0.879 0.606 CB 1.229 34 residues pruned to eliminate duplicates Z: 83 53.156 2.252 0.751 0.510 0.939 0.585 CB 1.569 86 residues pruned to eliminate duplicates Z: 6 7.447 1.666 0.703 0.470 1.000 0.600 CA 1.210 6 residues pruned to eliminate duplicates Z: 19 17.057 2.149 0.656 0.420 0.944 0.611 CB 1.299 19 residues pruned to eliminate duplicates Z: 7 10.114 2.096 0.895 0.400 0.833 0.667 N 1.385 7 residues pruned to eliminate duplicates Z: 11 9.953 1.951 0.594 0.472 0.900 0.600 CB 1.157 11 residues pruned to eliminate duplicates 336 residues left after pruning, divided into chains as follows: A: 10 B: 9 C: 6 D: 13 E: 135 F: 163 CC for partial structure against native data = 33.91 % ------------------------------------------------------------------------------ Global autotracing cycle 4 = 0.300, Contrast = 0.458, Connect. = 0.723 for dens.mod. cycle 1 = 0.300, Contrast = 0.533, Connect. = 0.754 for dens.mod. cycle 2 = 0.300, Contrast = 0.633, Connect. = 0.785 for dens.mod. cycle 3 = 0.300, Contrast = 0.640, Connect. = 0.788 for dens.mod. cycle 4 = 0.300, Contrast = 0.652, Connect. = 0.791 for dens.mod. cycle 5 = 0.300, Contrast = 0.656, Connect. = 0.794 for dens.mod. cycle 6 = 0.300, Contrast = 0.662, Connect. = 0.795 for dens.mod. cycle 7 = 0.300, Contrast = 0.665, Connect. = 0.797 for dens.mod. cycle 8 = 0.300, Contrast = 0.669, Connect. = 0.797 for dens.mod. cycle 9 = 0.300, Contrast = 0.670, Connect. = 0.798 for dens.mod. cycle 10 NOGO map generated for regions about rotation axes (if any) 2506 peaks > 0.5 sigma used to seed fragment search Space for about 500 unique residues taking solvent into account 527 potential tripeptides employed #(CA) CFOM DenFit NH...O SecStr Rama98 Rama80 A: 12 46.973 2.539 1.121 0.895 1.000 0.909 CA 1.885 B: 13 24.931 2.185 0.833 0.880 0.917 0.917 CB 1.420 C: 10 30.795 2.476 0.618 0.920 1.000 0.889 CB 1.804 11 residues pruned to eliminate duplicates D: 11 47.447 2.617 1.022 0.934 1.000 0.900 CA 1.978 11 residues pruned to eliminate duplicates E: 12 43.369 2.438 1.031 0.924 1.000 1.000 CB 1.855 12 residues pruned to eliminate duplicates F: 94 60.036 2.261 0.701 0.557 0.935 0.667 CB 1.637 13 residues pruned to eliminate duplicates G: 10 22.620 2.359 0.357 0.885 1.000 0.778 CB 1.700 10 residues pruned to eliminate duplicates H: 14 30.650 2.232 0.652 0.840 1.000 0.846 CB 1.722 14 residues pruned to eliminate duplicates I: 12 35.236 2.314 0.812 0.862 1.000 0.818 CA 1.861 12 residues pruned to eliminate duplicates J: 14 40.544 2.305 1.010 0.845 1.000 0.769 CA 1.804 14 residues pruned to eliminate duplicates K: 13 35.747 2.333 0.920 0.865 1.000 0.833 CB 1.689 12 residues pruned to eliminate duplicates L: 14 35.278 2.274 0.843 0.853 1.000 0.846 CA 1.726 M: 15 34.086 2.136 0.951 0.885 1.000 0.786 CA 1.579 14 residues pruned to eliminate duplicates N: 13 50.568 2.404 1.342 0.880 1.000 0.583 CA 1.878 13 residues pruned to eliminate duplicates O: 16 31.525 2.314 0.544 0.922 0.933 0.867 CA 1.717 P: 15 28.836 2.112 0.828 0.869 1.000 0.786 CA 1.459 15 residues pruned to eliminate duplicates Q: 12 20.931 2.290 0.386 0.796 0.909 0.909 CB 1.688 12 residues pruned to eliminate duplicates R: 15 32.698 2.160 0.814 0.875 1.000 0.857 CA 1.623 15 residues pruned to eliminate duplicates S: 16 33.160 2.322 0.635 0.915 0.933 0.867 CA 1.708 16 residues pruned to eliminate duplicates T: 94 61.424 2.242 0.715 0.557 0.935 0.688 CB 1.675 94 residues pruned to eliminate duplicates U: 16 37.916 2.310 0.775 0.903 1.000 0.733 CB 1.702 V: 73 46.801 2.252 0.738 0.522 0.861 0.583 CB 1.602 60 residues pruned to eliminate duplicates W: 17 31.754 2.251 0.576 0.912 1.000 0.875 CB 1.584 17 residues pruned to eliminate duplicates X: 13 36.645 2.362 0.916 0.866 1.000 0.917 CA 1.712 13 residues pruned to eliminate duplicates Y: 16 30.345 2.192 0.823 0.868 0.933 0.800 CA 1.536 16 residues pruned to eliminate duplicates Z: 15 40.336 2.344 0.816 0.925 1.000 0.429 CB 1.777 16 residues pruned to eliminate duplicates Z: 14 28.771 2.290 0.740 0.821 0.923 0.923 CB 1.642 14 residues pruned to eliminate duplicates Z: 16 34.352 2.319 0.520 0.935 1.000 0.800 CA 1.753 16 residues pruned to eliminate duplicates Z: 34 34.705 2.264 0.568 0.593 0.970 0.667 CB 1.607 34 residues pruned to eliminate duplicates Z: 12 35.435 2.359 0.711 0.920 1.000 0.909 CA 1.864 12 residues pruned to eliminate duplicates Z: 16 35.916 2.335 0.638 0.932 1.000 0.867 CA 1.693 16 residues pruned to eliminate duplicates Z: 9 22.182 2.224 0.988 0.717 0.875 0.750 CB 1.665 Z: 14 30.943 2.152 0.902 0.806 1.000 0.769 CA 1.606 14 residues pruned to eliminate duplicates Z: 61 47.706 2.346 0.675 0.540 0.933 0.667 CB 1.615 29 residues pruned to eliminate duplicates Z: 93 58.312 2.283 0.727 0.546 0.935 0.685 CB 1.577 60 residues pruned to eliminate duplicates Z: 16 32.499 2.338 0.443 0.951 1.000 0.933 CA 1.714 16 residues pruned to eliminate duplicates Z: 56 41.063 2.203 0.689 0.516 0.909 0.636 CB 1.611 56 residues pruned to eliminate duplicates Z: 14 35.335 2.235 1.047 0.847 1.000 1.000 CA 1.590 14 residues pruned to eliminate duplicates Z: 13 24.901 2.201 1.004 0.799 0.833 0.833 CA 1.506 13 residues pruned to eliminate duplicates Z: 17 31.257 2.248 0.615 0.870 1.000 0.750 CA 1.571 17 residues pruned to eliminate duplicates Z: 14 30.887 2.217 0.781 0.848 1.000 0.538 CA 1.609 14 residues pruned to eliminate duplicates Z: 12 24.334 2.241 0.764 0.863 0.909 0.909 CB 1.497 12 residues pruned to eliminate duplicates Z: 15 31.886 2.432 0.521 0.897 1.000 0.714 CB 1.649 15 residues pruned to eliminate duplicates Z: 17 21.033 2.110 0.394 0.925 1.000 0.875 CB 1.255 17 residues pruned to eliminate duplicates Z: 16 35.958 2.339 0.693 0.938 0.933 0.800 CA 1.747 16 residues pruned to eliminate duplicates Z: 17 34.001 2.215 0.655 0.937 1.000 0.938 CB 1.614 17 residues pruned to eliminate duplicates Z: 25 20.549 2.116 0.736 0.453 0.917 0.667 CB 1.308 15 residues pruned to eliminate duplicates Z: 9 19.746 2.271 0.855 0.723 0.875 0.875 CB 1.548 9 residues pruned to eliminate duplicates Z: 16 34.643 2.328 0.726 0.876 0.933 0.800 CA 1.734 16 residues pruned to eliminate duplicates Z: 12 14.203 2.022 0.655 0.535 0.818 0.727 CB 1.512 12 residues pruned to eliminate duplicates Z: 13 31.118 2.362 0.867 0.901 0.917 0.667 CA 1.586 13 residues pruned to eliminate duplicates Z: 15 31.287 2.146 0.992 0.848 1.000 0.857 CA 1.451 15 residues pruned to eliminate duplicates Z: 9 8.449 1.945 0.313 0.457 0.875 0.375 CA 1.396 9 residues pruned to eliminate duplicates Z: 94 55.871 2.259 0.706 0.534 0.914 0.699 CB 1.590 94 residues pruned to eliminate duplicates Z: 93 57.913 2.279 0.688 0.563 0.946 0.707 CB 1.561 93 residues pruned to eliminate duplicates Z: 16 33.776 2.372 0.626 0.922 0.933 0.933 CB 1.705 16 residues pruned to eliminate duplicates Z: 14 33.951 2.311 0.808 0.864 0.923 0.846 CB 1.789 14 residues pruned to eliminate duplicates Z: 16 37.363 2.302 0.713 0.929 1.000 0.667 CB 1.712 16 residues pruned to eliminate duplicates Z: 12 35.645 2.330 1.072 0.885 1.000 0.909 CA 1.607 12 residues pruned to eliminate duplicates Z: 84 48.209 2.163 0.749 0.480 0.916 0.566 CB 1.559 31 residues pruned to eliminate duplicates Z: 11 11.833 1.796 0.771 0.581 0.900 0.800 CB 1.209 Z: 14 20.486 1.904 1.002 0.583 0.923 0.615 CB 1.491 11 residues pruned to eliminate duplicates Z: 15 27.641 2.400 0.269 0.929 1.000 0.857 CA 1.697 15 residues pruned to eliminate duplicates Z: 94 63.096 2.276 0.788 0.551 0.968 0.677 CB 1.581 93 residues pruned to eliminate duplicates Z: 17 30.704 2.227 0.676 0.882 0.938 0.625 CA 1.587 17 residues pruned to eliminate duplicates Z: 48 40.670 2.165 0.830 0.535 0.894 0.702 CB 1.619 48 residues pruned to eliminate duplicates Z: 13 20.974 1.989 0.582 0.867 1.000 0.917 CB 1.408 13 residues pruned to eliminate duplicates Z: 9 16.769 2.184 0.754 0.615 0.875 0.750 CA 1.588 9 residues pruned to eliminate duplicates Z: 81 48.147 2.202 0.655 0.535 0.913 0.575 CB 1.564 81 residues pruned to eliminate duplicates Z: 16 26.021 2.181 0.465 0.936 1.000 0.733 CB 1.464 16 residues pruned to eliminate duplicates Z: 9 24.839 2.253 0.887 0.848 1.000 0.875 CB 1.533 9 residues pruned to eliminate duplicates Z: 15 26.862 2.277 0.683 0.940 0.929 0.500 CB 1.402 15 residues pruned to eliminate duplicates Z: 47 32.370 2.042 0.760 0.546 0.913 0.674 CB 1.390 18 residues pruned to eliminate duplicates Z: 30 18.310 2.021 0.607 0.418 0.897 0.621 CB 1.272 22 residues pruned to eliminate duplicates Z: 94 56.022 2.264 0.625 0.553 0.935 0.634 CB 1.603 94 residues pruned to eliminate duplicates Z: 12 37.775 2.378 1.070 0.916 1.000 0.818 CA 1.634 12 residues pruned to eliminate duplicates Z: 16 14.513 1.839 0.672 0.582 0.933 0.733 CB 1.206 16 residues pruned to eliminate duplicates Z: 43 35.363 2.214 0.646 0.601 0.905 0.524 CB 1.504 43 residues pruned to eliminate duplicates Z: 16 33.280 2.320 0.516 0.928 1.000 1.000 CB 1.710 16 residues pruned to eliminate duplicates Z: 15 20.927 2.262 0.272 0.928 1.000 0.929 CB 1.362 15 residues pruned to eliminate duplicates Z: 65 50.138 2.296 0.765 0.500 0.938 0.578 CB 1.650 64 residues pruned to eliminate duplicates Z: 16 38.184 2.403 0.661 0.921 1.000 0.867 CB 1.738 16 residues pruned to eliminate duplicates Z: 49 35.107 2.109 0.705 0.513 0.896 0.625 CB 1.553 49 residues pruned to eliminate duplicates Z: 94 55.551 2.252 0.761 0.529 0.925 0.656 CB 1.528 94 residues pruned to eliminate duplicates Z: 9 21.617 2.083 0.964 0.821 1.000 1.000 CB 1.414 Z: 16 34.556 2.286 0.693 0.927 1.000 0.933 CA 1.616 16 residues pruned to eliminate duplicates Z: 25 24.292 1.941 0.793 0.568 0.917 0.625 CB 1.455 34 residues pruned to eliminate duplicates Z: 25 22.562 2.059 0.834 0.495 0.917 0.792 CB 1.337 25 residues pruned to eliminate duplicates Z: 17 34.828 2.360 0.668 0.874 0.938 0.688 CA 1.717 17 residues pruned to eliminate duplicates Z: 15 21.259 1.892 0.919 0.827 0.929 0.786 CB 1.270 15 residues pruned to eliminate duplicates Z: 15 14.961 1.906 0.625 0.576 0.929 0.643 CB 1.292 15 residues pruned to eliminate duplicates Z: 13 26.331 2.223 0.660 0.853 1.000 0.833 CB 1.523 13 residues pruned to eliminate duplicates Z: 17 23.126 2.233 0.313 0.877 0.938 0.812 CB 1.528 17 residues pruned to eliminate duplicates Z: 54 40.404 2.059 0.950 0.555 0.887 0.642 CB 1.478 54 residues pruned to eliminate duplicates Z: 15 18.282 1.948 0.621 0.828 0.929 0.786 CB 1.255 15 residues pruned to eliminate duplicates Z: 15 40.943 2.411 0.784 0.951 1.000 0.786 CA 1.753 15 residues pruned to eliminate duplicates Z: 29 28.993 2.113 0.573 0.663 1.000 0.857 CB 1.418 31 residues pruned to eliminate duplicates Z: 80 48.289 2.177 0.653 0.541 0.937 0.658 CB 1.549 81 residues pruned to eliminate duplicates Z: 94 62.071 2.268 0.658 0.564 0.957 0.624 CB 1.682 94 residues pruned to eliminate duplicates Z: 13 21.530 2.201 0.510 0.837 1.000 0.500 CB 1.399 13 residues pruned to eliminate duplicates Z: 16 36.993 2.295 0.691 0.934 1.000 0.933 CA 1.717 16 residues pruned to eliminate duplicates Z: 49 36.990 2.238 0.580 0.481 0.958 0.604 CB 1.607 49 residues pruned to eliminate duplicates Z: 64 52.868 2.317 0.798 0.524 0.937 0.635 CB 1.667 64 residues pruned to eliminate duplicates Z: 15 23.804 1.904 0.910 0.841 0.929 0.643 CB 1.405 15 residues pruned to eliminate duplicates Z: 44 35.976 2.200 0.715 0.556 0.930 0.698 CB 1.480 44 residues pruned to eliminate duplicates Z: 17 21.015 2.114 0.478 0.911 0.938 0.812 CB 1.272 17 residues pruned to eliminate duplicates Z: 14 31.395 2.188 0.851 0.838 1.000 0.692 CB 1.606 14 residues pruned to eliminate duplicates Z: 94 56.945 2.246 0.711 0.552 0.914 0.591 CB 1.599 94 residues pruned to eliminate duplicates Z: 27 18.282 2.121 0.474 0.427 0.885 0.692 CB 1.399 23 residues pruned to eliminate duplicates Z: 15 15.640 1.840 0.693 0.558 0.929 0.643 CB 1.366 14 residues pruned to eliminate duplicates Z: 15 13.668 1.965 0.727 0.559 0.929 0.643 CB 1.095 Z: 17 29.388 2.382 0.382 0.807 1.000 0.688 CA 1.708 17 residues pruned to eliminate duplicates Z: 15 35.340 2.390 0.650 0.918 1.000 0.929 CB 1.689 15 residues pruned to eliminate duplicates Z: 13 22.373 2.196 0.954 0.858 0.833 0.583 CA 1.330 13 residues pruned to eliminate duplicates Z: 13 39.533 2.285 1.166 0.857 1.000 0.833 CB 1.699 13 residues pruned to eliminate duplicates Z: 37 27.765 2.183 0.537 0.527 0.889 0.556 CB 1.510 37 residues pruned to eliminate duplicates Z: 28 22.418 2.145 0.815 0.453 0.963 0.593 CB 1.208 28 residues pruned to eliminate duplicates Z: 12 19.009 2.096 0.692 0.648 1.000 0.636 CB 1.408 13 residues pruned to eliminate duplicates Z: 14 17.594 2.104 0.650 0.512 0.923 0.692 CB 1.505 14 residues pruned to eliminate duplicates Z: 15 22.782 2.244 0.507 0.933 1.000 0.714 CB 1.256 15 residues pruned to eliminate duplicates Z: 90 55.387 2.167 0.767 0.571 0.933 0.685 CB 1.535 90 residues pruned to eliminate duplicates Z: 42 39.665 2.141 0.860 0.572 0.927 0.659 CB 1.566 42 residues pruned to eliminate duplicates Z: 18 20.604 2.081 0.752 0.511 0.941 0.647 CB 1.441 18 residues pruned to eliminate duplicates Z: 14 34.990 2.294 0.995 0.925 0.923 0.615 CB 1.612 14 residues pruned to eliminate duplicates Z: 6 7.222 1.741 0.594 0.505 0.800 0.800 N 1.448 6 residues pruned to eliminate duplicates Z: 15 17.342 1.862 0.759 0.622 1.000 0.929 CB 1.261 15 residues pruned to eliminate duplicates Z: 16 19.142 2.034 0.645 0.758 0.933 0.800 CB 1.258 16 residues pruned to eliminate duplicates Z: 93 59.988 2.274 0.741 0.550 0.978 0.685 CB 1.539 93 residues pruned to eliminate duplicates Z: 14 14.497 2.094 1.122 0.371 0.846 0.538 CB 1.227 14 residues pruned to eliminate duplicates Z: 17 25.628 2.256 0.580 0.847 0.875 0.812 CA 1.525 17 residues pruned to eliminate duplicates Z: 16 29.641 2.283 0.429 0.904 1.000 0.933 CB 1.671 16 residues pruned to eliminate duplicates Z: 23 29.484 2.162 0.839 0.567 0.909 0.682 CB 1.629 23 residues pruned to eliminate duplicates Z: 52 36.374 2.161 0.673 0.472 0.922 0.510 CB 1.573 52 residues pruned to eliminate duplicates Z: 51 30.063 2.146 0.647 0.428 0.860 0.500 CB 1.507 51 residues pruned to eliminate duplicates Z: 17 20.658 2.154 0.474 0.864 0.938 0.750 CB 1.272 17 residues pruned to eliminate duplicates Z: 59 45.816 2.275 0.671 0.551 0.879 0.638 CA 1.712 59 residues pruned to eliminate duplicates Z: 16 21.466 2.201 0.288 0.894 1.000 0.733 CB 1.402 16 residues pruned to eliminate duplicates Z: 14 18.018 2.084 0.514 0.759 0.923 0.615 CB 1.362 14 residues pruned to eliminate duplicates Z: 43 34.831 2.213 0.638 0.471 0.929 0.714 CA 1.645 43 residues pruned to eliminate duplicates Z: 85 54.815 2.289 0.733 0.533 0.929 0.667 CB 1.573 86 residues pruned to eliminate duplicates Z: 95 52.630 2.173 0.678 0.544 0.915 0.670 CB 1.559 95 residues pruned to eliminate duplicates Z: 17 24.997 2.225 0.295 0.917 0.938 0.875 CA 1.632 17 residues pruned to eliminate duplicates Z: 41 29.090 1.987 0.774 0.521 0.925 0.600 CB 1.382 41 residues pruned to eliminate duplicates Z: 14 20.988 1.958 1.000 0.591 1.000 0.846 CB 1.363 14 residues pruned to eliminate duplicates Z: 28 19.544 1.970 0.782 0.531 0.963 0.704 CB 1.079 15 residues pruned to eliminate duplicates Z: 10 17.769 2.093 0.792 0.749 1.000 0.889 CB 1.264 10 residues pruned to eliminate duplicates Z: 17 21.318 2.335 0.330 0.829 0.812 0.812 CA 1.590 17 residues pruned to eliminate duplicates Z: 48 44.798 2.313 0.851 0.515 0.936 0.553 CB 1.606 48 residues pruned to eliminate duplicates Z: 6 9.210 1.461 0.959 0.844 1.000 1.000 CB 1.071 6 residues pruned to eliminate duplicates Z: 35 29.239 2.236 0.568 0.556 0.882 0.588 CB 1.536 35 residues pruned to eliminate duplicates Z: 14 17.046 1.819 0.399 0.879 1.000 0.769 CB 1.347 14 residues pruned to eliminate duplicates Z: 33 23.944 2.071 0.830 0.455 0.844 0.625 CB 1.387 33 residues pruned to eliminate duplicates Z: 13 41.076 2.302 1.275 0.886 1.000 0.917 CB 1.634 14 residues pruned to eliminate duplicates Z: 14 11.581 2.023 0.771 0.328 0.923 0.462 CB 1.172 14 residues pruned to eliminate duplicates Z: 13 17.994 1.872 0.588 0.846 1.000 0.750 CB 1.298 13 residues pruned to eliminate duplicates Z: 28 28.127 2.182 0.940 0.515 0.889 0.630 CB 1.418 27 residues pruned to eliminate duplicates Z: 14 20.488 2.098 0.364 0.901 1.000 1.000 CB 1.418 14 residues pruned to eliminate duplicates Z: 14 19.091 2.194 0.382 0.918 0.923 0.462 CB 1.333 14 residues pruned to eliminate duplicates Z: 13 16.665 1.870 0.492 0.855 1.000 0.917 CB 1.273 13 residues pruned to eliminate duplicates Z: 111 60.834 2.195 0.812 0.539 0.936 0.682 CB 1.498 111 residues pruned to eliminate duplicates Z: 12 33.828 2.397 0.922 0.869 0.909 0.818 CA 1.779 12 residues pruned to eliminate duplicates Z: 28 18.034 2.036 0.644 0.396 0.926 0.704 CB 1.250 28 residues pruned to eliminate duplicates Z: 16 31.277 2.247 0.700 0.888 0.933 0.800 CB 1.632 16 residues pruned to eliminate duplicates Z: 14 23.941 2.013 0.680 0.860 1.000 0.923 CB 1.444 14 residues pruned to eliminate duplicates Z: 16 22.301 2.198 0.269 0.939 1.000 0.933 CB 1.435 16 residues pruned to eliminate duplicates Z: 17 25.357 2.210 0.325 0.894 1.000 0.938 CB 1.553 17 residues pruned to eliminate duplicates Z: 10 12.058 1.724 0.931 0.591 0.889 0.889 CB 1.245 Z: 93 58.586 2.286 0.682 0.552 0.957 0.674 CB 1.579 93 residues pruned to eliminate duplicates Z: 23 19.178 1.850 1.177 0.514 0.955 0.636 CB 1.049 19 residues pruned to eliminate duplicates Z: 12 23.471 1.991 0.902 0.880 1.000 0.909 CB 1.354 12 residues pruned to eliminate duplicates Z: 57 41.150 2.304 0.710 0.524 0.893 0.607 CB 1.526 57 residues pruned to eliminate duplicates Z: 8 13.042 1.983 0.855 0.393 1.000 0.429 CB 1.501 8 residues pruned to eliminate duplicates Z: 11 4.706 1.551 0.436 0.601 1.000 0.900 CB 0.607 11 residues pruned to eliminate duplicates Z: 16 19.966 1.815 0.746 0.861 0.933 0.867 CB 1.281 16 residues pruned to eliminate duplicates Z: 19 21.357 2.122 0.793 0.486 0.889 0.722 CB 1.510 19 residues pruned to eliminate duplicates Z: 93 60.775 2.256 0.694 0.572 0.957 0.685 CB 1.617 93 residues pruned to eliminate duplicates Z: 94 61.205 2.275 0.809 0.556 0.946 0.624 CB 1.544 94 residues pruned to eliminate duplicates Z: 24 25.240 2.198 0.802 0.529 0.913 0.609 CB 1.414 24 residues pruned to eliminate duplicates Z: 16 22.073 2.162 0.463 0.948 1.000 0.533 CB 1.244 16 residues pruned to eliminate duplicates Z: 22 19.308 2.017 0.939 0.373 0.810 0.714 CB 1.524 22 residues pruned to eliminate duplicates Z: 66 51.869 2.325 0.790 0.502 0.908 0.631 CB 1.700 66 residues pruned to eliminate duplicates Z: 14 21.250 1.866 0.898 0.847 1.000 0.846 CB 1.235 14 residues pruned to eliminate duplicates Z: 42 33.260 2.191 0.644 0.499 0.878 0.488 CB 1.644 42 residues pruned to eliminate duplicates Z: 25 15.413 1.836 0.925 0.448 0.917 0.667 CB 1.025 25 residues pruned to eliminate duplicates Z: 46 35.822 2.195 0.569 0.476 0.956 0.600 CB 1.663 46 residues pruned to eliminate duplicates Z: 13 22.481 2.074 0.560 0.905 1.000 0.917 CB 1.428 13 residues pruned to eliminate duplicates Z: 28 25.903 2.135 0.587 0.590 1.000 0.704 CB 1.350 28 residues pruned to eliminate duplicates Z: 92 58.973 2.287 0.726 0.547 0.956 0.582 CB 1.564 92 residues pruned to eliminate duplicates Z: 16 39.612 2.313 0.769 0.942 1.000 0.667 CB 1.733 16 residues pruned to eliminate duplicates Z: 94 59.372 2.252 0.685 0.551 0.935 0.667 CB 1.650 94 residues pruned to eliminate duplicates Z: 14 22.743 1.884 0.896 0.856 1.000 0.462 CB 1.303 14 residues pruned to eliminate duplicates Z: 9 8.640 1.771 0.738 0.590 0.875 0.750 CB 1.041 Z: 11 17.291 2.096 0.776 0.590 0.900 0.800 CA 1.498 11 residues pruned to eliminate duplicates Z: 11 14.124 1.747 0.991 0.575 1.000 0.600 CB 1.195 10 residues pruned to eliminate duplicates Z: 16 14.529 2.105 0.682 0.336 0.867 0.600 CB 1.462 16 residues pruned to eliminate duplicates Z: 56 43.282 2.193 0.713 0.529 0.945 0.600 CB 1.597 56 residues pruned to eliminate duplicates Z: 69 46.849 2.226 0.723 0.521 0.897 0.559 CB 1.616 69 residues pruned to eliminate duplicates Z: 10 39.761 2.468 1.074 0.933 1.000 0.889 CB 1.806 10 residues pruned to eliminate duplicates Z: 14 32.122 2.414 0.479 0.929 1.000 1.000 CB 1.746 14 residues pruned to eliminate duplicates Z: 10 17.827 1.863 0.678 0.840 1.000 0.889 CB 1.418 10 residues pruned to eliminate duplicates Z: 28 32.532 2.286 0.658 0.588 0.926 0.667 CB 1.640 28 residues pruned to eliminate duplicates Z: 25 30.205 2.175 0.765 0.659 0.917 0.750 CB 1.512 25 residues pruned to eliminate duplicates Z: 14 16.606 1.829 0.806 0.584 0.923 0.692 CB 1.393 14 residues pruned to eliminate duplicates Z: 12 32.749 2.303 0.854 0.872 1.000 0.818 CB 1.685 12 residues pruned to eliminate duplicates Z: 15 23.964 1.865 0.814 0.816 1.000 0.857 CB 1.438 15 residues pruned to eliminate duplicates Z: 14 11.705 1.981 0.563 0.521 0.923 0.692 CB 1.112 14 residues pruned to eliminate duplicates Z: 9 18.551 2.043 0.998 0.780 1.000 1.000 CB 1.255 9 residues pruned to eliminate duplicates Z: 40 34.212 2.086 0.753 0.589 0.949 0.718 CB 1.450 39 residues pruned to eliminate duplicates Z: 26 15.604 1.744 0.659 0.397 0.920 0.640 CA 1.308 26 residues pruned to eliminate duplicates Z: 14 20.316 1.900 0.772 0.872 1.000 0.769 CA 1.220 14 residues pruned to eliminate duplicates Z: 15 18.953 1.825 0.648 0.864 1.000 0.714 CB 1.234 15 residues pruned to eliminate duplicates Z: 15 37.639 2.339 0.697 0.933 1.000 0.857 CA 1.768 15 residues pruned to eliminate duplicates Z: 96 54.226 2.163 0.708 0.552 0.947 0.674 CB 1.510 96 residues pruned to eliminate duplicates Z: 17 15.853 2.103 0.849 0.441 0.875 0.688 CB 1.238 17 residues pruned to eliminate duplicates Z: 15 36.576 2.317 0.744 0.934 1.000 0.786 CB 1.688 15 residues pruned to eliminate duplicates Z: 14 18.476 1.799 0.672 0.870 1.000 0.923 CB 1.244 14 residues pruned to eliminate duplicates Z: 20 13.842 2.178 0.452 0.478 0.842 0.737 CB 1.219 20 residues pruned to eliminate duplicates Z: 16 37.180 2.271 0.672 0.947 1.000 0.800 CA 1.747 16 residues pruned to eliminate duplicates Z: 9 7.309 1.874 0.513 0.373 0.875 0.625 CB 1.193 9 residues pruned to eliminate duplicates Z: 15 24.298 1.851 0.919 0.855 1.000 0.714 CB 1.349 15 residues pruned to eliminate duplicates Z: 14 20.797 1.982 0.493 0.868 1.000 1.000 CB 1.425 14 residues pruned to eliminate duplicates Z: 14 23.928 1.974 0.753 0.867 1.000 0.769 CB 1.403 14 residues pruned to eliminate duplicates Z: 58 46.704 2.263 0.656 0.542 0.965 0.614 CB 1.642 58 residues pruned to eliminate duplicates Z: 44 41.459 2.212 0.691 0.566 0.977 0.628 CB 1.624 44 residues pruned to eliminate duplicates Z: 21 23.874 2.153 0.605 0.625 0.850 0.600 CB 1.615 21 residues pruned to eliminate duplicates Z: 7 6.113 1.503 0.145 0.648 1.000 0.500 C 1.263 7 residues pruned to eliminate duplicates Z: 17 34.579 2.182 0.880 0.904 0.938 0.688 CB 1.601 17 residues pruned to eliminate duplicates Z: 80 46.823 2.153 0.665 0.518 0.949 0.671 CB 1.520 80 residues pruned to eliminate duplicates Z: 8 19.322 2.112 0.999 0.794 1.000 1.000 CB 1.336 8 residues pruned to eliminate duplicates Z: 15 38.877 2.304 0.751 0.946 1.000 0.857 CA 1.781 15 residues pruned to eliminate duplicates Z: 8 11.230 1.911 1.100 0.552 1.000 0.714 CB 1.006 6 residues pruned to eliminate duplicates Z: 15 21.064 1.878 0.645 0.872 1.000 0.929 CB 1.329 15 residues pruned to eliminate duplicates Z: 14 17.350 1.936 0.788 0.794 0.846 0.769 CB 1.270 14 residues pruned to eliminate duplicates Z: 13 11.012 1.938 0.608 0.263 0.917 0.667 CB 1.458 13 residues pruned to eliminate duplicates Z: 21 21.831 2.162 0.813 0.344 0.900 0.500 CB 1.639 21 residues pruned to eliminate duplicates Z: 95 56.107 2.261 0.656 0.554 0.936 0.649 CB 1.567 95 residues pruned to eliminate duplicates Z: 14 19.048 1.797 0.861 0.861 1.000 0.769 CB 1.161 14 residues pruned to eliminate duplicates Z: 13 10.597 1.961 0.992 0.457 0.833 0.667 CB 0.982 13 residues pruned to eliminate duplicates Z: 51 38.749 2.153 0.793 0.552 0.940 0.700 CB 1.436 51 residues pruned to eliminate duplicates Z: 11 4.369 1.713 -0.007 0.336 0.800 0.400 CA 1.215 11 residues pruned to eliminate duplicates Z: 28 20.737 1.965 0.754 0.432 0.852 0.630 CB 1.458 28 residues pruned to eliminate duplicates Z: 14 10.965 1.816 0.471 0.608 0.923 0.615 CB 1.112 14 residues pruned to eliminate duplicates Z: 21 15.892 1.952 0.944 0.423 0.800 0.600 CB 1.269 21 residues pruned to eliminate duplicates Z: 77 44.748 2.101 0.809 0.548 0.895 0.553 CB 1.440 77 residues pruned to eliminate duplicates Z: 14 17.373 1.848 0.531 0.845 1.000 0.923 CB 1.266 14 residues pruned to eliminate duplicates Z: 24 12.296 1.712 0.730 0.397 0.826 0.652 CB 1.169 24 residues pruned to eliminate duplicates Z: 32 23.243 2.072 0.735 0.500 0.774 0.581 CA 1.500 32 residues pruned to eliminate duplicates Z: 45 37.362 2.260 0.741 0.480 0.955 0.636 CB 1.530 45 residues pruned to eliminate duplicates Z: 61 50.359 2.285 0.762 0.555 0.933 0.617 CB 1.640 61 residues pruned to eliminate duplicates Z: 53 40.556 2.182 0.801 0.533 0.923 0.731 CB 1.500 53 residues pruned to eliminate duplicates Z: 72 43.078 2.196 0.725 0.479 0.944 0.620 CB 1.460 72 residues pruned to eliminate duplicates Z: 14 23.861 1.913 0.951 0.869 1.000 1.000 CA 1.296 14 residues pruned to eliminate duplicates Z: 81 44.770 2.126 0.658 0.520 0.913 0.637 CB 1.525 81 residues pruned to eliminate duplicates Z: 48 33.029 1.988 0.854 0.547 0.936 0.745 CB 1.334 48 residues pruned to eliminate duplicates Z: 15 19.986 2.253 0.204 0.903 1.000 0.857 CB 1.403 15 residues pruned to eliminate duplicates Z: 26 28.135 2.227 0.821 0.519 0.920 0.600 CB 1.480 26 residues pruned to eliminate duplicates Z: 24 28.558 2.218 0.831 0.538 0.913 0.609 CB 1.547 24 residues pruned to eliminate duplicates Z: 46 40.437 2.271 0.654 0.558 0.956 0.644 CB 1.586 46 residues pruned to eliminate duplicates Z: 14 17.086 1.936 0.497 0.852 0.923 0.846 CB 1.311 14 residues pruned to eliminate duplicates Z: 11 17.847 1.815 1.058 0.722 0.900 0.800 CB 1.374 11 residues pruned to eliminate duplicates Z: 17 27.174 2.185 0.505 0.913 1.000 0.812 CB 1.462 17 residues pruned to eliminate duplicates Z: 14 17.755 2.002 0.472 0.864 0.923 0.538 CB 1.327 14 residues pruned to eliminate duplicates Z: 68 52.123 2.263 0.884 0.523 0.925 0.582 CB 1.578 68 residues pruned to eliminate duplicates Z: 26 20.927 2.181 0.685 0.464 0.960 0.640 CB 1.230 26 residues pruned to eliminate duplicates Z: 35 33.865 2.035 0.802 0.562 1.000 0.735 CB 1.491 35 residues pruned to eliminate duplicates Z: 76 47.633 2.178 0.726 0.501 0.933 0.640 CB 1.566 76 residues pruned to eliminate duplicates Z: 36 26.194 1.995 0.610 0.540 0.943 0.686 CB 1.406 36 residues pruned to eliminate duplicates Z: 23 18.332 2.092 0.783 0.449 0.864 0.636 CB 1.279 23 residues pruned to eliminate duplicates Z: 22 21.977 1.958 0.952 0.550 0.857 0.762 CB 1.395 65 residues pruned to eliminate duplicates Z: 6 7.935 1.621 0.732 0.445 1.000 0.600 CB 1.337 6 residues pruned to eliminate duplicates Z: 14 18.058 1.725 0.669 0.920 1.000 0.846 CA 1.226 14 residues pruned to eliminate duplicates Z: 21 33.542 2.306 0.741 0.632 1.000 0.700 CA 1.651 21 residues pruned to eliminate duplicates Z: 68 43.298 2.211 0.726 0.507 0.896 0.672 CB 1.537 68 residues pruned to eliminate duplicates Z: 12 18.043 1.912 0.818 0.655 1.000 0.818 CB 1.356 12 residues pruned to eliminate duplicates Z: 16 23.489 2.172 0.309 0.943 1.000 1.000 CB 1.478 16 residues pruned to eliminate duplicates Z: 34 34.730 2.183 0.681 0.600 0.939 0.727 CB 1.595 34 residues pruned to eliminate duplicates Z: 25 22.720 2.069 0.961 0.490 0.875 0.583 CB 1.320 25 residues pruned to eliminate duplicates Z: 15 18.875 2.109 0.322 0.933 0.929 0.857 CB 1.359 15 residues pruned to eliminate duplicates Z: 6 7.695 1.792 0.282 0.622 1.000 0.600 C 1.334 6 residues pruned to eliminate duplicates Z: 14 24.469 1.910 0.984 0.866 1.000 0.769 CA 1.312 14 residues pruned to eliminate duplicates Z: 25 20.820 2.047 0.613 0.544 0.917 0.833 CB 1.346 26 residues pruned to eliminate duplicates Z: 16 38.022 2.180 0.916 0.920 1.000 0.400 CB 1.655 16 residues pruned to eliminate duplicates Z: 28 20.544 1.941 0.666 0.475 0.963 0.704 CB 1.303 14 residues pruned to eliminate duplicates Z: 16 17.011 1.945 0.619 0.492 1.000 0.800 CA 1.406 16 residues pruned to eliminate duplicates Z: 17 13.851 2.054 0.525 0.425 0.938 0.750 CB 1.275 17 residues pruned to eliminate duplicates Z: 14 18.404 1.899 0.658 0.827 1.000 0.923 CB 1.222 14 residues pruned to eliminate duplicates Z: 13 19.324 1.854 0.619 0.851 1.000 0.667 CB 1.376 13 residues pruned to eliminate duplicates Z: 36 26.377 2.113 0.559 0.560 0.914 0.600 CB 1.396 36 residues pruned to eliminate duplicates Z: 11 13.358 2.076 0.633 0.424 0.900 0.500 CB 1.499 11 residues pruned to eliminate duplicates Z: 20 17.615 1.902 0.658 0.473 1.000 0.579 CB 1.317 20 residues pruned to eliminate duplicates Z: 61 51.737 2.300 0.683 0.550 0.967 0.717 CB 1.700 61 residues pruned to eliminate duplicates Z: 30 20.297 1.954 0.675 0.521 0.828 0.586 CB 1.364 30 residues pruned to eliminate duplicates Z: 12 6.604 1.782 0.636 0.303 0.636 0.455 C 1.336 12 residues pruned to eliminate duplicates Z: 95 55.877 2.262 0.639 0.521 0.957 0.606 CB 1.590 95 residues pruned to eliminate duplicates Z: 62 54.318 2.374 0.770 0.546 0.934 0.705 CB 1.693 62 residues pruned to eliminate duplicates Z: 9 5.232 2.043 0.140 0.298 0.875 0.625 CB 1.138 9 residues pruned to eliminate duplicates Z: 8 9.099 1.792 0.670 0.510 0.857 0.571 N 1.328 8 residues pruned to eliminate duplicates Z: 60 52.172 2.285 0.779 0.593 0.932 0.712 CB 1.640 60 residues pruned to eliminate duplicates Z: 14 23.587 2.006 0.703 0.868 1.000 1.000 CB 1.400 14 residues pruned to eliminate duplicates Z: 12 39.819 2.316 1.147 0.941 1.000 0.364 CB 1.676 12 residues pruned to eliminate duplicates Z: 61 54.443 2.343 0.759 0.539 0.967 0.600 CB 1.699 61 residues pruned to eliminate duplicates Z: 61 48.179 2.318 0.638 0.578 0.900 0.683 CB 1.688 61 residues pruned to eliminate duplicates Z: 94 50.939 2.147 0.742 0.540 0.892 0.688 CB 1.522 94 residues pruned to eliminate duplicates Z: 59 53.283 2.408 0.743 0.551 0.931 0.638 CB 1.704 59 residues pruned to eliminate duplicates Z: 11 19.725 2.148 0.593 0.720 1.000 0.800 CB 1.494 11 residues pruned to eliminate duplicates Z: 12 12.525 2.037 0.859 0.566 0.909 0.818 CB 1.029 Z: 62 44.265 2.185 0.758 0.519 0.885 0.590 CA 1.636 62 residues pruned to eliminate duplicates Z: 122 55.551 2.138 0.771 0.509 0.934 0.678 CB 1.415 122 residues pruned to eliminate duplicates Z: 7 4.214 1.742 0.092 0.217 1.000 0.667 CA 1.261 Z: 94 60.885 2.249 0.733 0.553 0.946 0.667 CB 1.626 94 residues pruned to eliminate duplicates Z: 37 29.054 1.983 0.734 0.588 0.944 0.667 CB 1.371 37 residues pruned to eliminate duplicates Z: 14 17.175 1.869 0.572 0.888 1.000 1.000 CA 1.168 14 residues pruned to eliminate duplicates Z: 47 45.147 2.372 0.853 0.510 0.891 0.696 CB 1.682 47 residues pruned to eliminate duplicates Z: 10 6.200 1.632 0.503 0.483 0.889 0.333 CB 0.965 Z: 12 12.870 1.718 0.759 0.555 1.000 0.545 CB 1.218 11 residues pruned to eliminate duplicates Z: 61 56.155 2.343 0.853 0.564 0.950 0.633 CB 1.652 61 residues pruned to eliminate duplicates Z: 8 6.024 1.416 0.402 0.669 0.857 0.571 CA 1.144 Z: 14 19.372 1.770 0.806 0.865 1.000 0.769 CB 1.231 14 residues pruned to eliminate duplicates Z: 13 36.022 2.289 0.969 0.822 1.000 0.667 CB 1.745 13 residues pruned to eliminate duplicates Z: 32 25.749 2.069 0.554 0.529 0.903 0.613 CA 1.548 32 residues pruned to eliminate duplicates Z: 9 9.278 2.013 1.020 0.260 0.875 0.750 CB 1.214 9 residues pruned to eliminate duplicates Z: 10 8.994 2.021 0.632 0.431 0.778 0.556 CB 1.255 10 residues pruned to eliminate duplicates Z: 9 24.861 2.318 0.670 0.712 1.000 0.750 CB 1.873 9 residues pruned to eliminate duplicates Z: 13 7.637 1.866 0.350 0.248 0.917 0.500 CA 1.277 13 residues pruned to eliminate duplicates Z: 12 34.883 2.409 1.166 0.864 0.909 0.727 CB 1.625 12 residues pruned to eliminate duplicates Z: 8 17.208 1.942 0.815 0.799 1.000 1.000 CA 1.421 8 residues pruned to eliminate duplicates 6 1.708 1.313 0.435 0.419 0.800 0.400 CB 0.552 ? Z: 24 13.016 1.929 0.365 0.406 0.826 0.478 CB 1.376 24 residues pruned to eliminate duplicates Z: 83 58.551 2.240 0.737 0.584 0.951 0.659 CB 1.612 83 residues pruned to eliminate duplicates Z: 41 42.163 2.338 0.710 0.585 0.950 0.650 CB 1.617 41 residues pruned to eliminate duplicates Z: 61 45.460 2.288 0.681 0.535 0.900 0.583 CB 1.638 61 residues pruned to eliminate duplicates Z: 67 49.965 2.202 0.673 0.590 0.970 0.712 CB 1.579 67 residues pruned to eliminate duplicates Z: 34 29.327 2.283 0.454 0.517 0.909 0.606 CA 1.662 34 residues pruned to eliminate duplicates Z: 11 32.343 2.453 0.764 0.818 1.000 0.900 CA 1.794 11 residues pruned to eliminate duplicates Z: 9 12.103 1.790 0.949 0.593 1.000 0.750 CB 1.122 Z: 42 32.157 2.226 0.690 0.481 0.902 0.610 CB 1.509 42 residues pruned to eliminate duplicates Z: 11 27.597 2.455 0.625 0.882 0.900 0.800 CB 1.759 11 residues pruned to eliminate duplicates Z: 9 8.666 1.952 0.672 0.412 0.875 0.625 CA 1.176 9 residues pruned to eliminate duplicates Z: 15 18.021 1.750 0.585 0.851 1.000 0.857 CB 1.285 15 residues pruned to eliminate duplicates Z: 43 37.456 2.290 0.588 0.575 0.929 0.643 CB 1.592 43 residues pruned to eliminate duplicates Z: 9 17.938 2.353 0.846 0.627 0.875 0.875 CA 1.480 9 residues pruned to eliminate duplicates Z: 17 10.103 1.720 0.545 0.415 0.812 0.562 CA 1.279 20 residues pruned to eliminate duplicates Z: 6 5.124 1.753 0.592 0.571 1.000 0.600 CB 0.766 Z: 7 3.173 1.438 0.254 0.247 0.833 0.667 CB 1.155 7 residues pruned to eliminate duplicates Z: 26 19.654 2.041 0.880 0.406 0.920 0.600 CB 1.229 26 residues pruned to eliminate duplicates Z: 61 48.773 2.229 0.765 0.560 0.917 0.683 CA 1.647 61 residues pruned to eliminate duplicates Z: 10 4.285 1.615 0.234 0.375 0.667 0.333 CB 1.229 Z: 29 32.802 2.347 0.708 0.571 0.893 0.464 CB 1.618 29 residues pruned to eliminate duplicates Z: 87 49.955 2.138 0.764 0.532 0.907 0.640 CB 1.526 87 residues pruned to eliminate duplicates Z: 13 14.084 1.942 0.580 0.524 1.000 0.833 CB 1.294 13 residues pruned to eliminate duplicates Z: 18 26.464 2.218 0.809 0.514 0.941 0.765 CB 1.677 18 residues pruned to eliminate duplicates Z: 96 58.534 2.220 0.676 0.547 0.937 0.674 CB 1.646 96 residues pruned to eliminate duplicates Z: 23 27.462 2.225 0.700 0.576 0.864 0.545 CA 1.665 23 residues pruned to eliminate duplicates Z: 22 23.061 2.114 0.892 0.402 0.952 0.667 CB 1.464 22 residues pruned to eliminate duplicates Z: 16 32.001 2.298 0.485 0.902 1.000 0.867 CB 1.727 16 residues pruned to eliminate duplicates Z: 109 58.523 2.156 0.831 0.543 0.907 0.639 CB 1.508 109 residues pruned to eliminate duplicates Z: 9 10.431 1.810 0.747 0.515 1.000 0.750 CB 1.149 9 residues pruned to eliminate duplicates Z: 8 10.017 1.961 0.711 0.600 0.857 0.714 CA 1.197 Z: 50 41.547 2.276 0.816 0.544 0.898 0.571 CB 1.532 50 residues pruned to eliminate duplicates Z: 39 20.494 1.853 0.492 0.533 0.974 0.684 CB 1.195 39 residues pruned to eliminate duplicates Z: 8 5.446 1.623 0.339 0.505 1.000 0.857 CB 0.943 Z: 48 39.028 2.304 0.790 0.469 0.872 0.532 CB 1.632 48 residues pruned to eliminate duplicates Z: 19 14.153 1.876 0.875 0.449 0.778 0.611 CB 1.285 19 residues pruned to eliminate duplicates Z: 15 21.527 2.099 0.681 0.499 1.000 0.643 CA 1.633 15 residues pruned to eliminate duplicates Z: 16 23.164 1.780 0.978 0.891 1.000 0.733 CB 1.221 16 residues pruned to eliminate duplicates Z: 36 26.400 1.991 0.729 0.534 0.914 0.800 CB 1.370 36 residues pruned to eliminate duplicates Z: 13 22.843 1.850 1.078 0.912 1.000 0.667 CB 1.215 13 residues pruned to eliminate duplicates Z: 47 18.858 1.900 0.519 0.465 0.891 0.565 CB 1.120 47 residues pruned to eliminate duplicates Z: 33 26.441 2.066 0.635 0.505 0.938 0.688 CB 1.469 33 residues pruned to eliminate duplicates Z: 14 23.506 1.791 0.955 0.886 1.000 0.692 CA 1.343 14 residues pruned to eliminate duplicates Z: 20 28.975 2.144 0.817 0.530 0.947 0.632 CB 1.748 20 residues pruned to eliminate duplicates Z: 14 14.994 1.929 0.486 0.543 1.000 0.769 CB 1.392 14 residues pruned to eliminate duplicates Z: 45 40.923 2.322 0.671 0.535 0.955 0.568 CB 1.609 45 residues pruned to eliminate duplicates Z: 6 6.140 1.675 0.024 0.665 1.000 0.800 N 1.374 Z: 9 19.126 2.273 0.452 0.673 1.000 0.750 CA 1.747 9 residues pruned to eliminate duplicates Z: 53 44.288 2.155 0.864 0.527 0.942 0.692 CB 1.581 53 residues pruned to eliminate duplicates Z: 10 8.184 1.916 0.405 0.541 0.889 0.667 CB 1.095 10 residues pruned to eliminate duplicates Z: 40 30.338 2.137 0.731 0.531 0.897 0.564 CB 1.420 40 residues pruned to eliminate duplicates Z: 7 3.405 1.528 0.175 0.347 0.833 0.667 CA 1.097 Z: 9 16.616 2.377 0.549 0.629 0.875 0.875 CA 1.615 9 residues pruned to eliminate duplicates Z: 7 3.243 1.479 0.225 0.470 0.833 0.667 CB 0.904 Z: 17 26.261 2.110 1.205 0.584 0.938 0.750 CB 1.389 17 residues pruned to eliminate duplicates Z: 8 2.343 1.649 0.505 0.136 0.714 0.429 CB 0.785 8 residues pruned to eliminate duplicates Z: 21 16.028 2.027 0.612 0.459 0.950 0.600 CB 1.203 21 residues pruned to eliminate duplicates Z: 37 40.583 2.324 0.726 0.599 0.944 0.639 CB 1.624 37 residues pruned to eliminate duplicates Z: 44 31.635 2.148 0.660 0.472 0.884 0.535 CB 1.574 44 residues pruned to eliminate duplicates Z: 24 29.482 2.245 0.802 0.565 0.870 0.652 CA 1.640 24 residues pruned to eliminate duplicates Z: 36 22.705 1.987 0.579 0.535 0.943 0.686 CB 1.254 36 residues pruned to eliminate duplicates Z: 11 13.315 1.791 1.160 0.560 0.900 0.600 CB 1.141 11 residues pruned to eliminate duplicates Z: 8 20.372 2.320 0.855 0.683 1.000 0.714 CB 1.513 8 residues pruned to eliminate duplicates Z: 45 37.844 2.101 0.875 0.552 0.909 0.727 CB 1.516 45 residues pruned to eliminate duplicates Using tripeptides from previous cycle as seeds Z: 6 4.668 1.631 0.533 0.385 1.000 0.600 CA 0.943 6 residues pruned to eliminate duplicates Z: 14 18.466 2.000 0.793 0.560 0.923 0.615 CB 1.459 14 residues pruned to eliminate duplicates Z: 6 3.183 1.770 0.311 0.290 0.800 0.600 CA 0.971 6 residues pruned to eliminate duplicates Z: 22 19.687 2.057 0.706 0.543 0.905 0.714 CB 1.296 32 residues pruned to eliminate duplicates Z: 6 3.137 1.486 0.092 0.364 1.000 0.800 N 1.001 Z: 6 2.733 1.198 0.947 0.413 0.800 0.400 N 0.717 6 residues pruned to eliminate duplicates Z: 9 9.683 1.830 0.878 0.628 0.875 0.875 CB 1.009 9 residues pruned to eliminate duplicates Z: 6 6.390 1.746 0.755 0.382 0.800 0.600 CA 1.322 6 residues pruned to eliminate duplicates Z: 81 54.592 2.212 0.736 0.535 0.963 0.675 CB 1.596 81 residues pruned to eliminate duplicates Z: 67 54.131 2.234 0.709 0.603 0.985 0.742 CB 1.607 67 residues pruned to eliminate duplicates Z: 94 61.166 2.261 0.683 0.566 0.946 0.677 CB 1.653 94 residues pruned to eliminate duplicates Z: 93 61.081 2.269 0.763 0.549 0.924 0.685 CB 1.643 93 residues pruned to eliminate duplicates Z: 81 52.672 2.217 0.649 0.529 0.975 0.637 CB 1.606 81 residues pruned to eliminate duplicates Z: 7 3.949 1.754 0.576 0.298 0.833 0.000 CA 0.877 7 residues pruned to eliminate duplicates Z: 32 34.165 2.112 0.741 0.630 0.935 0.710 CB 1.579 32 residues pruned to eliminate duplicates Z: 80 48.851 2.234 0.612 0.523 0.937 0.684 CB 1.592 80 residues pruned to eliminate duplicates Z: 94 60.480 2.263 0.713 0.550 0.935 0.613 CB 1.646 94 residues pruned to eliminate duplicates Z: 93 63.455 2.273 0.800 0.559 0.924 0.685 CB 1.653 93 residues pruned to eliminate duplicates Z: 93 61.586 2.286 0.706 0.559 0.924 0.630 CB 1.683 93 residues pruned to eliminate duplicates Z: 55 43.213 2.199 0.677 0.523 0.944 0.685 CB 1.650 55 residues pruned to eliminate duplicates Z: 67 50.946 2.227 0.699 0.594 0.955 0.712 CB 1.587 67 residues pruned to eliminate duplicates Z: 95 60.803 2.250 0.716 0.540 0.947 0.638 CB 1.649 95 residues pruned to eliminate duplicates Z: 35 37.755 2.086 0.856 0.566 1.000 0.706 CB 1.568 35 residues pruned to eliminate duplicates Z: 14 23.756 1.907 0.963 0.868 1.000 0.692 CB 1.286 14 residues pruned to eliminate duplicates Z: 41 32.051 1.970 0.792 0.525 0.925 0.575 CB 1.514 51 residues pruned to eliminate duplicates Z: 14 20.449 1.816 0.848 0.877 0.923 0.462 CB 1.330 14 residues pruned to eliminate duplicates Z: 95 60.155 2.262 0.732 0.547 0.926 0.585 CB 1.634 95 residues pruned to eliminate duplicates Z: 106 54.691 2.165 0.697 0.522 0.933 0.629 CB 1.524 115 residues pruned to eliminate duplicates Z: 81 52.469 2.212 0.669 0.532 0.963 0.637 CB 1.599 81 residues pruned to eliminate duplicates Z: 50 40.179 2.176 0.834 0.492 0.918 0.571 CB 1.578 50 residues pruned to eliminate duplicates Z: 94 62.925 2.272 0.719 0.554 0.946 0.677 CB 1.675 94 residues pruned to eliminate duplicates Z: 81 53.778 2.228 0.716 0.515 0.963 0.637 CB 1.610 81 residues pruned to eliminate duplicates Z: 35 36.158 2.145 0.821 0.564 0.941 0.676 CB 1.585 35 residues pruned to eliminate duplicates Z: 93 64.651 2.291 0.779 0.567 0.935 0.674 CB 1.659 93 residues pruned to eliminate duplicates Z: 116 63.412 2.244 0.795 0.509 0.922 0.670 CB 1.579 116 residues pruned to eliminate duplicates Z: 65 45.086 2.284 0.678 0.505 0.922 0.578 CB 1.587 65 residues pruned to eliminate duplicates Z: 65 46.862 2.209 0.719 0.540 0.922 0.703 CB 1.609 65 residues pruned to eliminate duplicates Z: 81 50.686 2.224 0.680 0.512 0.925 0.562 CB 1.620 81 residues pruned to eliminate duplicates Z: 110 67.497 2.275 0.813 0.554 0.936 0.688 CB 1.590 110 residues pruned to eliminate duplicates Z: 60 47.383 2.327 0.647 0.545 0.915 0.593 CB 1.684 60 residues pruned to eliminate duplicates Z: 122 59.953 2.232 0.720 0.523 0.901 0.645 CB 1.541 122 residues pruned to eliminate duplicates Z: 67 51.300 2.230 0.743 0.577 0.955 0.667 CB 1.580 67 residues pruned to eliminate duplicates Z: 60 47.495 2.345 0.609 0.557 0.915 0.610 CB 1.694 60 residues pruned to eliminate duplicates Z: 88 50.239 2.256 0.702 0.515 0.897 0.632 CB 1.541 88 residues pruned to eliminate duplicates Z: 85 56.141 2.238 0.773 0.550 0.917 0.595 CB 1.604 85 residues pruned to eliminate duplicates Z: 34 34.700 2.258 0.640 0.585 0.939 0.697 CB 1.601 34 residues pruned to eliminate duplicates Z: 62 47.692 2.313 0.688 0.536 0.902 0.672 CB 1.675 62 residues pruned to eliminate duplicates Z: 67 48.132 2.174 0.788 0.565 0.894 0.742 CB 1.601 67 residues pruned to eliminate duplicates Z: 95 58.683 2.241 0.792 0.549 0.894 0.670 CB 1.608 95 residues pruned to eliminate duplicates Z: 63 46.469 2.281 0.595 0.519 0.952 0.661 CB 1.674 63 residues pruned to eliminate duplicates Z: 23 24.888 2.253 0.625 0.430 0.955 0.591 CB 1.632 23 residues pruned to eliminate duplicates Z: 93 66.519 2.284 0.792 0.566 0.957 0.641 CB 1.661 93 residues pruned to eliminate duplicates Z: 22 20.877 2.078 0.323 0.730 0.952 0.619 CB 1.414 22 residues pruned to eliminate duplicates Z: 88 50.113 2.187 0.751 0.528 0.874 0.598 CB 1.562 88 residues pruned to eliminate duplicates Z: 53 33.674 2.200 0.632 0.460 0.904 0.558 CB 1.498 53 residues pruned to eliminate duplicates Z: 61 47.700 2.323 0.737 0.557 0.883 0.650 CB 1.634 61 residues pruned to eliminate duplicates Z: 61 51.741 2.321 0.777 0.555 0.933 0.600 CB 1.645 61 residues pruned to eliminate duplicates Z: 60 50.176 2.320 0.694 0.510 0.983 0.695 CB 1.674 60 residues pruned to eliminate duplicates Z: 46 45.054 2.292 0.834 0.542 0.956 0.711 CB 1.605 46 residues pruned to eliminate duplicates Z: 60 52.375 2.348 0.801 0.569 0.898 0.695 CB 1.679 60 residues pruned to eliminate duplicates Z: 80 50.414 2.216 0.723 0.523 0.899 0.570 CB 1.617 80 residues pruned to eliminate duplicates Z: 47 44.495 2.292 0.766 0.506 0.978 0.696 CB 1.648 47 residues pruned to eliminate duplicates Z: 94 63.310 2.276 0.795 0.542 0.946 0.677 CB 1.628 94 residues pruned to eliminate duplicates Z: 14 24.918 2.249 0.680 0.936 0.923 0.923 CB 1.380 14 residues pruned to eliminate duplicates Z: 94 61.220 2.261 0.746 0.552 0.935 0.656 CB 1.635 94 residues pruned to eliminate duplicates Z: 93 64.326 2.268 0.776 0.550 0.967 0.609 CB 1.640 93 residues pruned to eliminate duplicates Z: 61 50.513 2.331 0.808 0.545 0.900 0.650 CB 1.645 61 residues pruned to eliminate duplicates Z: 57 50.641 2.357 0.862 0.533 0.911 0.661 CB 1.639 57 residues pruned to eliminate duplicates Z: 48 42.497 2.297 0.802 0.526 0.915 0.638 CB 1.595 48 residues pruned to eliminate duplicates Z: 95 62.398 2.232 0.895 0.562 0.883 0.617 CB 1.622 94 residues pruned to eliminate duplicates Z: 8 11.022 2.102 0.686 0.409 1.000 0.571 CA 1.293 8 residues pruned to eliminate duplicates Z: 28 27.562 2.235 0.561 0.550 0.963 0.704 CB 1.505 28 residues pruned to eliminate duplicates Z: 61 51.607 2.323 0.753 0.574 0.917 0.583 CB 1.662 61 residues pruned to eliminate duplicates Z: 61 55.828 2.329 0.898 0.569 0.933 0.717 CB 1.635 61 residues pruned to eliminate duplicates Z: 64 53.278 2.315 0.828 0.554 0.921 0.619 CB 1.634 64 residues pruned to eliminate duplicates Z: 60 58.058 2.358 0.858 0.563 0.949 0.678 CB 1.710 60 residues pruned to eliminate duplicates Z: 94 65.433 2.256 0.835 0.554 0.957 0.667 CB 1.625 95 residues pruned to eliminate duplicates Z: 16 30.637 2.360 0.670 0.745 0.933 0.733 CB 1.727 16 residues pruned to eliminate duplicates Z: 64 46.869 2.277 0.733 0.560 0.873 0.714 CB 1.618 64 residues pruned to eliminate duplicates Z: 49 44.965 2.329 0.788 0.577 0.896 0.625 CB 1.616 49 residues pruned to eliminate duplicates Z: 61 48.873 2.297 0.797 0.566 0.900 0.650 CB 1.592 61 residues pruned to eliminate duplicates Z: 65 47.397 2.276 0.707 0.542 0.922 0.703 CB 1.589 65 residues pruned to eliminate duplicates Z: 61 52.535 2.331 0.781 0.550 0.950 0.600 CB 1.637 61 residues pruned to eliminate duplicates Z: 62 51.540 2.337 0.762 0.552 0.918 0.656 CB 1.660 62 residues pruned to eliminate duplicates Z: 60 54.637 2.334 0.785 0.587 0.949 0.729 CB 1.655 60 residues pruned to eliminate duplicates Z: 59 54.376 2.370 0.766 0.579 0.914 0.586 CB 1.730 59 residues pruned to eliminate duplicates Z: 59 53.957 2.365 0.789 0.580 0.931 0.655 CB 1.665 59 residues pruned to eliminate duplicates Z: 43 42.958 2.341 0.704 0.617 0.929 0.667 CB 1.602 43 residues pruned to eliminate duplicates Z: 43 41.847 2.316 0.692 0.617 0.929 0.619 CB 1.588 43 residues pruned to eliminate duplicates Z: 31 21.504 2.119 0.903 0.425 0.867 0.700 CB 1.215 31 residues pruned to eliminate duplicates Z: 72 51.576 2.285 0.772 0.538 0.944 0.662 CB 1.542 72 residues pruned to eliminate duplicates Z: 23 25.530 2.234 0.686 0.499 1.000 0.682 CB 1.447 23 residues pruned to eliminate duplicates Z: 27 18.975 1.976 0.853 0.474 0.885 0.577 CB 1.179 27 residues pruned to eliminate duplicates Z: 89 51.495 2.247 0.735 0.513 0.943 0.580 CB 1.474 89 residues pruned to eliminate duplicates Z: 23 26.120 2.204 0.849 0.495 1.000 0.727 CB 1.374 23 residues pruned to eliminate duplicates Z: 30 24.545 2.140 0.749 0.450 0.966 0.690 CB 1.327 30 residues pruned to eliminate duplicates Z: 22 19.162 2.188 0.706 0.442 0.905 0.619 CB 1.315 22 residues pruned to eliminate duplicates Z: 24 26.109 2.168 0.793 0.521 0.957 0.783 CB 1.434 24 residues pruned to eliminate duplicates Z: 29 23.117 2.154 0.901 0.457 0.929 0.679 CB 1.200 29 residues pruned to eliminate duplicates Z: 80 54.379 2.294 0.806 0.516 0.937 0.671 CB 1.551 80 residues pruned to eliminate duplicates Z: 26 21.547 2.097 0.820 0.435 0.920 0.640 CB 1.312 26 residues pruned to eliminate duplicates Z: 30 24.212 2.193 0.795 0.470 0.931 0.586 CB 1.265 30 residues pruned to eliminate duplicates Z: 26 19.883 2.078 0.655 0.442 0.960 0.680 CB 1.278 26 residues pruned to eliminate duplicates Z: 29 23.199 2.197 0.724 0.505 0.929 0.750 CB 1.241 29 residues pruned to eliminate duplicates Z: 28 22.896 2.223 0.609 0.476 0.889 0.704 CB 1.420 28 residues pruned to eliminate duplicates Z: 25 22.014 2.126 0.721 0.492 0.958 0.750 CB 1.292 25 residues pruned to eliminate duplicates Z: 83 55.317 2.315 0.742 0.543 0.915 0.695 CB 1.589 83 residues pruned to eliminate duplicates Z: 14 8.737 1.971 0.350 0.327 1.000 0.692 CB 1.102 14 residues pruned to eliminate duplicates Z: 15 9.135 2.104 0.452 0.286 0.857 0.571 CB 1.185 15 residues pruned to eliminate duplicates Z: 23 23.541 2.227 0.830 0.473 0.955 0.773 CB 1.326 23 residues pruned to eliminate duplicates Z: 21 11.878 2.031 0.459 0.359 0.900 0.700 CB 1.160 21 residues pruned to eliminate duplicates Z: 31 26.138 2.030 0.928 0.505 0.933 0.667 CB 1.299 31 residues pruned to eliminate duplicates Z: 29 28.146 2.208 0.890 0.469 0.964 0.679 CB 1.364 29 residues pruned to eliminate duplicates Z: 7 12.773 2.248 0.748 0.488 1.000 0.167 CB 1.343 7 residues pruned to eliminate duplicates Z: 8 5.105 1.981 0.509 0.422 0.714 0.286 CB 0.980 8 residues pruned to eliminate duplicates Z: 13 6.379 1.809 0.827 0.231 0.750 0.333 CB 1.016 13 residues pruned to eliminate duplicates Z: 10 6.304 1.863 0.579 0.298 0.889 0.444 CB 1.007 10 residues pruned to eliminate duplicates Z: 24 9.488 1.987 0.282 0.330 0.870 0.522 CB 1.076 24 residues pruned to eliminate duplicates Z: 27 9.307 1.920 0.332 0.327 0.846 0.615 CB 1.021 27 residues pruned to eliminate duplicates Z: 15 9.660 1.857 0.587 0.546 0.786 0.786 CB 1.065 15 residues pruned to eliminate duplicates Z: 8 4.782 1.784 0.488 0.373 0.571 0.571 CB 1.365 8 residues pruned to eliminate duplicates Z: 15 10.312 1.806 0.726 0.526 0.857 0.571 CB 1.005 15 residues pruned to eliminate duplicates Z: 12 12.078 1.848 0.667 0.653 0.818 0.545 CB 1.253 11 residues pruned to eliminate duplicates Z: 6 6.415 1.458 0.980 0.370 1.000 0.800 CA 1.142 6 residues pruned to eliminate duplicates Z: 9 20.754 2.011 0.932 0.842 1.000 1.000 CB 1.407 10 residues pruned to eliminate duplicates Z: 6 4.829 1.415 0.478 0.472 1.000 0.800 N 1.062 6 residues pruned to eliminate duplicates Z: 11 18.465 2.012 1.043 0.764 0.900 0.800 CB 1.249 10 residues pruned to eliminate duplicates Z: 6 4.334 1.626 0.802 0.260 0.800 0.400 C 1.088 6 residues pruned to eliminate duplicates Z: 28 29.582 2.180 0.602 0.667 1.000 0.778 CB 1.397 28 residues pruned to eliminate duplicates Z: 94 55.877 2.268 0.678 0.538 0.935 0.613 CB 1.568 94 residues pruned to eliminate duplicates Z: 54 37.537 2.155 0.660 0.508 0.943 0.623 CB 1.515 54 residues pruned to eliminate duplicates Z: 93 58.934 2.286 0.731 0.561 0.946 0.717 CB 1.548 93 residues pruned to eliminate duplicates Z: 98 58.288 2.228 0.742 0.532 0.959 0.680 CB 1.541 98 residues pruned to eliminate duplicates Z: 35 28.309 2.101 0.724 0.576 0.941 0.706 CB 1.324 35 residues pruned to eliminate duplicates Z: 95 57.164 2.257 0.737 0.546 0.926 0.660 CB 1.554 95 residues pruned to eliminate duplicates Z: 78 52.571 2.286 0.703 0.523 0.948 0.675 CB 1.587 78 residues pruned to eliminate duplicates Z: 94 56.577 2.271 0.696 0.542 0.935 0.624 CB 1.563 94 residues pruned to eliminate duplicates Z: 94 55.113 2.272 0.660 0.546 0.935 0.699 CB 1.547 94 residues pruned to eliminate duplicates Z: 93 64.103 2.293 0.804 0.555 0.967 0.652 CB 1.583 93 residues pruned to eliminate duplicates Z: 93 59.996 2.278 0.783 0.538 0.946 0.641 CB 1.569 93 residues pruned to eliminate duplicates Z: 45 35.372 2.168 0.748 0.537 0.909 0.659 CB 1.492 45 residues pruned to eliminate duplicates Z: 95 56.391 2.250 0.692 0.537 0.957 0.638 CB 1.539 95 residues pruned to eliminate duplicates Z: 93 57.627 2.292 0.741 0.543 0.924 0.707 CB 1.562 93 residues pruned to eliminate duplicates Z: 93 60.794 2.280 0.825 0.540 0.935 0.652 CB 1.567 93 residues pruned to eliminate duplicates Z: 95 60.135 2.266 0.790 0.544 0.936 0.649 CB 1.565 95 residues pruned to eliminate duplicates Z: 92 63.489 2.285 0.803 0.548 0.967 0.648 CB 1.594 92 residues pruned to eliminate duplicates Z: 92 59.889 2.315 0.696 0.557 0.945 0.659 CB 1.601 92 residues pruned to eliminate duplicates Z: 95 64.033 2.274 0.851 0.549 0.947 0.660 CB 1.579 95 residues pruned to eliminate duplicates Z: 34 31.257 2.117 0.853 0.580 0.939 0.727 CB 1.368 34 residues pruned to eliminate duplicates Z: 24 20.251 1.982 0.786 0.550 0.826 0.652 CB 1.375 24 residues pruned to eliminate duplicates Z: 35 30.036 2.060 0.749 0.568 0.971 0.735 CB 1.379 35 residues pruned to eliminate duplicates Z: 93 59.956 2.281 0.795 0.533 0.946 0.663 CB 1.562 93 residues pruned to eliminate duplicates Z: 93 61.035 2.294 0.778 0.546 0.946 0.674 CB 1.578 93 residues pruned to eliminate duplicates Z: 37 33.000 2.142 0.888 0.491 0.917 0.611 CB 1.496 37 residues pruned to eliminate duplicates Z: 94 58.986 2.280 0.793 0.554 0.903 0.613 CB 1.572 94 residues pruned to eliminate duplicates Z: 35 27.200 2.082 0.662 0.561 0.912 0.647 CB 1.394 35 residues pruned to eliminate duplicates Z: 93 60.952 2.295 0.772 0.556 0.957 0.663 CB 1.548 93 residues pruned to eliminate duplicates Z: 54 42.302 2.179 0.883 0.522 0.943 0.679 CB 1.468 54 residues pruned to eliminate duplicates Z: 93 60.363 2.285 0.753 0.556 0.935 0.641 CB 1.592 93 residues pruned to eliminate duplicates Z: 95 61.514 2.266 0.780 0.552 0.947 0.723 CB 1.580 95 residues pruned to eliminate duplicates Z: 65 51.384 2.310 0.785 0.503 0.953 0.625 CB 1.630 65 residues pruned to eliminate duplicates Z: 63 49.547 2.366 0.713 0.507 0.919 0.661 CB 1.676 63 residues pruned to eliminate duplicates Z: 93 61.832 2.289 0.820 0.536 0.946 0.620 CB 1.580 93 residues pruned to eliminate duplicates Z: 71 48.441 2.283 0.765 0.489 0.900 0.614 CB 1.615 71 residues pruned to eliminate duplicates Z: 62 52.948 2.379 0.793 0.501 0.951 0.557 CB 1.669 62 residues pruned to eliminate duplicates Z: 61 53.303 2.399 0.763 0.544 0.917 0.600 CB 1.699 61 residues pruned to eliminate duplicates Z: 60 56.504 2.371 0.845 0.538 0.966 0.695 CB 1.676 60 residues pruned to eliminate duplicates Z: 92 63.680 2.310 0.789 0.563 0.967 0.681 CB 1.572 92 residues pruned to eliminate duplicates Z: 94 57.349 2.275 0.759 0.539 0.935 0.624 CB 1.530 94 residues pruned to eliminate duplicates Z: 64 46.836 2.331 0.707 0.492 0.921 0.667 CB 1.623 64 residues pruned to eliminate duplicates Z: 95 57.702 2.246 0.752 0.547 0.915 0.628 CB 1.580 95 residues pruned to eliminate duplicates Z: 61 50.134 2.358 0.776 0.535 0.900 0.650 CB 1.659 61 residues pruned to eliminate duplicates Z: 94 56.772 2.264 0.730 0.546 0.914 0.677 CB 1.572 94 residues pruned to eliminate duplicates Z: 59 50.976 2.397 0.660 0.552 0.931 0.638 CB 1.717 59 residues pruned to eliminate duplicates Z: 47 40.403 2.333 0.694 0.517 0.891 0.587 CB 1.663 47 residues pruned to eliminate duplicates Z: 66 48.561 2.301 0.805 0.505 0.923 0.600 CB 1.562 66 residues pruned to eliminate duplicates Z: 93 54.947 2.256 0.708 0.521 0.935 0.652 CB 1.557 93 residues pruned to eliminate duplicates Z: 49 41.790 2.309 0.687 0.496 0.958 0.542 CB 1.622 49 residues pruned to eliminate duplicates Z: 60 47.084 2.305 0.678 0.536 0.949 0.627 CB 1.612 60 residues pruned to eliminate duplicates Z: 60 52.327 2.385 0.839 0.536 0.898 0.644 CB 1.669 60 residues pruned to eliminate duplicates Z: 47 44.682 2.344 0.711 0.542 0.935 0.609 CB 1.687 47 residues pruned to eliminate duplicates Z: 49 43.958 2.298 0.737 0.541 0.938 0.562 CB 1.629 49 residues pruned to eliminate duplicates Z: 48 42.086 2.326 0.741 0.497 0.894 0.723 CB 1.702 48 residues pruned to eliminate duplicates Z: 47 40.127 2.317 0.662 0.520 0.935 0.543 CB 1.611 47 residues pruned to eliminate duplicates Z: 65 50.914 2.322 0.809 0.502 0.906 0.656 CB 1.668 65 residues pruned to eliminate duplicates Z: 44 44.075 2.330 0.740 0.561 0.953 0.651 CB 1.638 44 residues pruned to eliminate duplicates Z: 81 51.453 2.239 0.782 0.507 0.913 0.625 CB 1.569 81 residues pruned to eliminate duplicates Z: 46 41.628 2.315 0.688 0.548 0.933 0.556 CB 1.624 46 residues pruned to eliminate duplicates Z: 64 52.877 2.355 0.811 0.517 0.952 0.540 CB 1.612 64 residues pruned to eliminate duplicates Z: 48 42.861 2.326 0.666 0.542 0.936 0.553 CB 1.654 48 residues pruned to eliminate duplicates Z: 51 39.429 2.259 0.649 0.507 0.940 0.580 CB 1.581 51 residues pruned to eliminate duplicates Z: 80 56.114 2.278 0.832 0.530 0.949 0.696 CB 1.547 80 residues pruned to eliminate duplicates Z: 45 43.656 2.282 0.794 0.605 0.955 0.750 CB 1.524 45 residues pruned to eliminate duplicates Z: 49 43.322 2.285 0.767 0.517 0.917 0.583 CB 1.661 49 residues pruned to eliminate duplicates Z: 44 41.936 2.297 0.708 0.574 0.953 0.605 CB 1.593 44 residues pruned to eliminate duplicates Z: 92 58.693 2.281 0.809 0.539 0.934 0.714 CB 1.537 92 residues pruned to eliminate duplicates Z: 42 44.376 2.350 0.741 0.609 0.951 0.537 CB 1.606 42 residues pruned to eliminate duplicates Z: 42 40.375 2.317 0.717 0.581 0.902 0.683 CB 1.625 42 residues pruned to eliminate duplicates Z: 93 61.516 2.279 0.824 0.562 0.935 0.728 CB 1.554 93 residues pruned to eliminate duplicates Z: 44 46.469 2.339 0.769 0.594 0.953 0.674 CB 1.641 44 residues pruned to eliminate duplicates Z: 50 38.516 2.245 0.652 0.554 0.918 0.571 CB 1.534 50 residues pruned to eliminate duplicates Z: 62 49.547 2.359 0.761 0.520 0.918 0.672 CB 1.631 62 residues pruned to eliminate duplicates Z: 39 41.354 2.324 0.712 0.592 0.974 0.737 CB 1.587 39 residues pruned to eliminate duplicates Z: 46 39.281 2.250 0.712 0.552 0.956 0.622 CB 1.512 46 residues pruned to eliminate duplicates Z: 48 39.497 2.297 0.670 0.520 0.915 0.553 CB 1.610 48 residues pruned to eliminate duplicates Z: 95 57.383 2.272 0.761 0.543 0.915 0.681 CB 1.550 95 residues pruned to eliminate duplicates Z: 65 47.287 2.299 0.755 0.520 0.891 0.578 CB 1.613 65 residues pruned to eliminate duplicates Z: 65 50.048 2.316 0.793 0.508 0.938 0.609 CB 1.594 65 residues pruned to eliminate duplicates Z: 64 51.660 2.358 0.806 0.516 0.921 0.635 CB 1.634 64 residues pruned to eliminate duplicates Z: 48 44.341 2.306 0.788 0.547 0.915 0.574 CB 1.638 48 residues pruned to eliminate duplicates Z: 46 41.808 2.310 0.802 0.555 0.911 0.600 CB 1.557 46 residues pruned to eliminate duplicates Z: 60 48.059 2.306 0.824 0.479 0.915 0.593 CB 1.661 60 residues pruned to eliminate duplicates Z: 11 17.470 2.086 0.694 0.629 0.900 0.500 CB 1.538 11 residues pruned to eliminate duplicates Z: 125 66.389 2.258 0.725 0.520 0.935 0.645 CB 1.605 175 residues pruned to eliminate duplicates Z: 6 6.499 1.948 0.440 0.223 1.000 0.000 C 1.433 6 residues pruned to eliminate duplicates Z: 89 54.331 2.227 0.751 0.518 0.920 0.648 CB 1.585 97 residues pruned to eliminate duplicates Z: 60 50.691 2.260 0.794 0.558 0.915 0.661 CA 1.681 60 residues pruned to eliminate duplicates Z: 71 49.617 2.192 0.870 0.542 0.857 0.586 CB 1.619 71 residues pruned to eliminate duplicates Z: 88 47.978 2.172 0.783 0.515 0.874 0.678 CB 1.499 88 residues pruned to eliminate duplicates Z: 46 42.727 2.178 0.820 0.533 0.956 0.667 CB 1.628 46 residues pruned to eliminate duplicates Z: 50 34.964 2.229 0.675 0.473 0.878 0.633 CB 1.568 50 residues pruned to eliminate duplicates Z: 32 28.960 2.202 0.525 0.496 0.968 0.484 CA 1.607 32 residues pruned to eliminate duplicates Z: 48 36.602 2.220 0.770 0.463 0.894 0.574 CB 1.578 48 residues pruned to eliminate duplicates Z: 44 40.377 2.285 0.671 0.590 0.907 0.535 CA 1.632 44 residues pruned to eliminate duplicates Z: 89 52.285 2.237 0.798 0.505 0.920 0.591 CB 1.498 89 residues pruned to eliminate duplicates Z: 43 33.695 2.229 0.671 0.488 0.905 0.595 CB 1.561 43 residues pruned to eliminate duplicates Z: 52 37.403 2.169 0.827 0.479 0.863 0.569 CB 1.565 52 residues pruned to eliminate duplicates Z: 47 39.180 2.215 0.774 0.500 0.891 0.587 CB 1.649 47 residues pruned to eliminate duplicates Z: 47 41.708 2.204 0.784 0.524 0.935 0.609 CB 1.634 47 residues pruned to eliminate duplicates Z: 67 48.567 2.230 0.826 0.507 0.909 0.606 CB 1.604 67 residues pruned to eliminate duplicates Z: 47 41.217 2.261 0.728 0.552 0.870 0.457 CB 1.700 47 residues pruned to eliminate duplicates Z: 42 39.345 2.265 0.799 0.472 0.927 0.561 CA 1.673 42 residues pruned to eliminate duplicates Z: 58 44.943 2.233 0.809 0.500 0.895 0.509 CA 1.647 58 residues pruned to eliminate duplicates Z: 61 49.967 2.244 0.865 0.534 0.900 0.550 CA 1.657 61 residues pruned to eliminate duplicates Z: 45 43.187 2.269 0.735 0.513 0.955 0.614 CA 1.711 45 residues pruned to eliminate duplicates Z: 33 26.230 2.101 0.642 0.531 0.875 0.531 CA 1.490 33 residues pruned to eliminate duplicates Z: 57 43.037 2.256 0.724 0.511 0.857 0.536 CB 1.706 57 residues pruned to eliminate duplicates Z: 37 40.228 2.293 0.743 0.601 0.944 0.556 CA 1.613 37 residues pruned to eliminate duplicates Z: 57 48.064 2.245 0.852 0.533 0.929 0.607 CB 1.610 57 residues pruned to eliminate duplicates Z: 79 52.013 2.179 0.771 0.541 0.949 0.718 CB 1.545 79 residues pruned to eliminate duplicates Z: 46 39.512 2.232 0.718 0.513 0.933 0.578 CB 1.625 46 residues pruned to eliminate duplicates Z: 65 49.067 2.208 0.858 0.526 0.922 0.656 CB 1.581 65 residues pruned to eliminate duplicates Z: 57 48.426 2.266 0.814 0.525 0.929 0.643 CA 1.654 57 residues pruned to eliminate duplicates Z: 47 44.439 2.190 0.810 0.572 0.957 0.587 CA 1.611 47 residues pruned to eliminate duplicates Z: 36 49.526 2.313 0.876 0.631 1.000 0.629 CA 1.706 36 residues pruned to eliminate duplicates Z: 48 45.159 2.195 0.806 0.560 0.957 0.553 CA 1.638 48 residues pruned to eliminate duplicates Z: 59 52.212 2.273 0.862 0.556 0.914 0.672 CA 1.679 59 residues pruned to eliminate duplicates Z: 49 46.105 2.263 0.752 0.542 0.958 0.542 CA 1.681 49 residues pruned to eliminate duplicates Z: 57 48.692 2.244 0.813 0.533 0.946 0.589 CB 1.635 57 residues pruned to eliminate duplicates Z: 59 49.502 2.253 0.869 0.557 0.879 0.759 CB 1.661 59 residues pruned to eliminate duplicates Z: 48 42.567 2.208 0.727 0.572 0.936 0.617 CA 1.623 48 residues pruned to eliminate duplicates Z: 37 45.142 2.294 0.833 0.614 0.972 0.583 CA 1.653 37 residues pruned to eliminate duplicates Z: 16 32.730 2.209 1.092 0.694 0.933 0.667 CA 1.640 16 residues pruned to eliminate duplicates Z: 83 51.011 2.197 0.821 0.521 0.866 0.659 CB 1.593 83 residues pruned to eliminate duplicates Z: 37 41.062 2.303 0.768 0.602 0.944 0.583 CA 1.614 37 residues pruned to eliminate duplicates Z: 118 60.725 2.185 0.766 0.534 0.915 0.684 CB 1.539 118 residues pruned to eliminate duplicates Z: 50 50.505 2.265 0.864 0.584 0.959 0.592 CB 1.644 50 residues pruned to eliminate duplicates Z: 86 54.186 2.234 0.881 0.511 0.894 0.624 CB 1.547 86 residues pruned to eliminate duplicates Z: 29 25.099 2.201 0.806 0.496 0.893 0.679 CB 1.342 29 residues pruned to eliminate duplicates Z: 26 21.515 2.099 0.933 0.426 0.840 0.520 CB 1.363 26 residues pruned to eliminate duplicates Z: 82 53.839 2.239 0.799 0.498 0.926 0.506 CB 1.606 82 residues pruned to eliminate duplicates Z: 29 20.423 2.117 0.890 0.401 0.821 0.464 CB 1.304 29 residues pruned to eliminate duplicates Z: 26 24.020 2.178 0.959 0.435 0.920 0.640 CB 1.309 26 residues pruned to eliminate duplicates Z: 24 29.511 2.180 0.937 0.449 0.957 0.696 CB 1.605 24 residues pruned to eliminate duplicates Z: 28 24.847 2.241 0.682 0.466 0.926 0.741 CB 1.418 28 residues pruned to eliminate duplicates Z: 21 24.856 2.259 0.962 0.445 0.950 0.750 CB 1.396 21 residues pruned to eliminate duplicates Z: 29 22.632 2.163 0.822 0.421 0.929 0.607 CB 1.269 29 residues pruned to eliminate duplicates Z: 33 24.721 2.015 1.137 0.384 0.875 0.500 CB 1.311 33 residues pruned to eliminate duplicates Z: 23 27.954 2.265 0.882 0.506 0.909 0.727 CB 1.528 23 residues pruned to eliminate duplicates Z: 30 19.145 2.054 0.739 0.330 0.897 0.517 CB 1.337 30 residues pruned to eliminate duplicates Z: 22 22.896 2.199 0.767 0.488 0.952 0.762 CB 1.367 22 residues pruned to eliminate duplicates Z: 19 17.146 2.143 0.761 0.439 0.833 0.500 CB 1.369 19 residues pruned to eliminate duplicates Z: 24 24.622 2.147 1.026 0.481 0.913 0.652 CB 1.317 24 residues pruned to eliminate duplicates Z: 27 29.743 2.215 1.025 0.541 0.923 0.731 CB 1.353 27 residues pruned to eliminate duplicates Z: 30 25.892 2.122 0.773 0.452 0.931 0.586 CB 1.443 30 residues pruned to eliminate duplicates Z: 85 47.100 2.186 0.824 0.496 0.857 0.595 CB 1.509 85 residues pruned to eliminate duplicates Z: 22 18.608 2.172 0.965 0.407 0.762 0.571 CB 1.377 22 residues pruned to eliminate duplicates Z: 20 18.459 2.180 0.829 0.401 0.842 0.474 CB 1.400 20 residues pruned to eliminate duplicates Z: 19 16.324 2.149 0.667 0.438 0.889 0.556 CB 1.289 19 residues pruned to eliminate duplicates Z: 90 51.940 2.182 0.821 0.487 0.899 0.562 CB 1.561 90 residues pruned to eliminate duplicates Z: 28 29.657 2.207 0.883 0.512 0.926 0.593 CB 1.465 28 residues pruned to eliminate duplicates Z: 92 52.048 2.224 0.768 0.481 0.901 0.648 CB 1.569 92 residues pruned to eliminate duplicates Z: 11 7.166 1.952 0.449 0.397 0.800 0.700 CB 1.116 11 residues pruned to eliminate duplicates 333 residues left after pruning, divided into chains as follows: A: 12 B: 11 C: 122 D: 10 E: 178 CC for partial structure against native data = 33.94 % ------------------------------------------------------------------------------ Global autotracing cycle 5 Phases from autotracing cycle 1 used as input for final density modification = 0.300, Contrast = 0.456, Connect. = 0.724 for dens.mod. cycle 1 = 0.300, Contrast = 0.527, Connect. = 0.753 for dens.mod. cycle 2 = 0.300, Contrast = 0.624, Connect. = 0.783 for dens.mod. cycle 3 = 0.300, Contrast = 0.633, Connect. = 0.786 for dens.mod. cycle 4 = 0.300, Contrast = 0.645, Connect. = 0.789 for dens.mod. cycle 5 = 0.300, Contrast = 0.650, Connect. = 0.792 for dens.mod. cycle 6 = 0.300, Contrast = 0.658, Connect. = 0.794 for dens.mod. cycle 7 = 0.300, Contrast = 0.661, Connect. = 0.795 for dens.mod. cycle 8 TimeTaking 196.8